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/RNA-905ff99f/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/RNA-905ff99f/inputs/seq.fa: 1
curr_seq: _UAAUACGACUCACUAUAGGAAAAAUAAAUAAAUAAACGAAAUAAAUAAAUAAAUCGAAAUAAAUAAAUAAAUCGAAAUAAAUAAAUAAAGACUGAAUCAGCAGCUACCAG_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: UAAUACGACUCACUAUAGGAAAAAUAAAUAAAUAAACGAAAUAAAUAAAUAAAUCGAAAUAAAUAAAUAAAUCGAAAUAAAUAAAUAAAGACUGAAUCAGCAGCUACCAG
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 110 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: 555
n_atoms_counter: 555
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 110.000000 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/RNA-905ff99f/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/RNA-905ff99f/inputs/seq.fa: 1
curr_seq: _UAAUACGACUCACUAUAGGAAAAAUAAAUAAAUAAACGAAAUAAAUAAAUAAAUCGAAAUAAAUAAAUAAAUCGAAAUAAAUAAAUAAAGACUGAAUCAGCAGCUACCAG_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: UAAUACGACUCACUAUAGGAAAAAUAAAUAAAUAAACGAAAUAAAUAAAUAAAUCGAAAUAAAUAAAUAAAUCGAAAUAAAUAAAUAAAGACUGAAUCAGCAGCUACCAG
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 110 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: 555
n_atoms_counter: 555
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 110.000000 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/RNA-905ff99f/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/RNA-905ff99f/inputs/seq.fa: 1
curr_seq: _UAAUACGACUCACUAUAGGAAAAAUAAAUAAAUAAACGAAAUAAAUAAAUAAAUCGAAAUAAAUAAAUAAAUCGAAAUAAAUAAAUAAAGACUGAAUCAGCAGCUACCAG_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: UAAUACGACUCACUAUAGGAAAAAUAAAUAAAUAAACGAAAUAAAUAAAUAAAUCGAAAUAAAUAAAUAAAUCGAAAUAAAUAAAUAAAGACUGAAUCAGCAGCUACCAG
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 110 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: 555
n_atoms_counter: 555
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 110.000000 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/RNA-905ff99f/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/RNA-905ff99f/inputs/seq.fa: 1
curr_seq: _UAAUACGACUCACUAUAGGAAAAAUAAAUAAAUAAACGAAAUAAAUAAAUAAAUCGAAAUAAAUAAAUAAAUCGAAAUAAAUAAAUAAAGACUGAAUCAGCAGCUACCAG_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: UAAUACGACUCACUAUAGGAAAAAUAAAUAAAUAAACGAAAUAAAUAAAUAAAUCGAAAUAAAUAAAUAAAUCGAAAUAAAUAAAUAAAGACUGAAUCAGCAGCUACCAG
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 110 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: 555
n_atoms_counter: 555
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 110.000000 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/RNA-905ff99f/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/RNA-905ff99f/inputs/seq.fa: 1
curr_seq: _UAAUACGACUCACUAUAGGAAAAAUAAAUAAAUAAACGAAAUAAAUAAAUAAAUCGAAAUAAAUAAAUAAAUCGAAAUAAAUAAAUAAAGACUGAAUCAGCAGCUACCAG_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: UAAUACGACUCACUAUAGGAAAAAUAAAUAAAUAAACGAAAUAAAUAAAUAAAUCGAAAUAAAUAAAUAAAUCGAAAUAAAUAAAUAAAGACUGAAUCAGCAGCUACCAG
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 110 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: 555
n_atoms_counter: 555
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 110.000000 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/RNA-905ff99f/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/RNA-905ff99f/inputs/seq.fa: 1
curr_seq: _UAAUACGACUCACUAUAGGAAAAAUAAAUAAAUAAACGAAAUAAAUAAAUAAAUCGAAAUAAAUAAAUAAAUCGAAAUAAAUAAAUAAAGACUGAAUCAGCAGCUACCAG_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: UAAUACGACUCACUAUAGGAAAAAUAAAUAAAUAAACGAAAUAAAUAAAUAAAUCGAAAUAAAUAAAUAAAUCGAAAUAAAUAAAUAAAGACUGAAUCAGCAGCUACCAG
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 110 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: 555
n_atoms_counter: 555
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 110.000000 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/RNA-905ff99f/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/RNA-905ff99f/inputs/seq.fa: 1
curr_seq: _UAAUACGACUCACUAUAGGAAAAAUAAAUAAAUAAACGAAAUAAAUAAAUAAAUCGAAAUAAAUAAAUAAAUCGAAAUAAAUAAAUAAAGACUGAAUCAGCAGCUACCAG_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: UAAUACGACUCACUAUAGGAAAAAUAAAUAAAUAAACGAAAUAAAUAAAUAAAUCGAAAUAAAUAAAUAAAUCGAAAUAAAUAAAUAAAGACUGAAUCAGCAGCUACCAG
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 110 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: 555
n_atoms_counter: 555
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 110.000000 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/RNA-905ff99f/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/RNA-905ff99f/inputs/seq.fa: 1
curr_seq: _UAAUACGACUCACUAUAGGAAAAAUAAAUAAAUAAACGAAAUAAAUAAAUAAAUCGAAAUAAAUAAAUAAAUCGAAAUAAAUAAAUAAAGACUGAAUCAGCAGCUACCAG_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: UAAUACGACUCACUAUAGGAAAAAUAAAUAAAUAAACGAAAUAAAUAAAUAAAUCGAAAUAAAUAAAUAAAUCGAAAUAAAUAAAUAAAGACUGAAUCAGCAGCUACCAG
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 110 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: 555
n_atoms_counter: 555
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 110.000000 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/RNA-905ff99f/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/RNA-905ff99f/inputs/seq.fa: 1
curr_seq: _UAAUACGACUCACUAUAGGAAAAAUAAAUAAAUAAACGAAAUAAAUAAAUAAAUCGAAAUAAAUAAAUAAAUCGAAAUAAAUAAAUAAAGACUGAAUCAGCAGCUACCAG_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: UAAUACGACUCACUAUAGGAAAAAUAAAUAAAUAAACGAAAUAAAUAAAUAAAUCGAAAUAAAUAAAUAAAUCGAAAUAAAUAAAUAAAGACUGAAUCAGCAGCUACCAG
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 110 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: 555
n_atoms_counter: 555
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 110.000000 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/RNA-905ff99f/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/RNA-905ff99f/inputs/seq.fa: 1
curr_seq: _UAAUACGACUCACUAUAGGAAAAAUAAAUAAAUAAACGAAAUAAAUAAAUAAAUCGAAAUAAAUAAAUAAAUCGAAAUAAAUAAAUAAAGACUGAAUCAGCAGCUACCAG_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: UAAUACGACUCACUAUAGGAAAAAUAAAUAAAUAAACGAAAUAAAUAAAUAAAUCGAAAUAAAUAAAUAAAUCGAAAUAAAUAAAUAAAGACUGAAUCAGCAGCUACCAG
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 110 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: 555
n_atoms_counter: 555
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 110.000000 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: -443.087406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -443.087406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -443.087406 (E_RNA)
where:
Base-Base interactions energy: -14.741
where: short stacking energy: -14.741
Base-Backbone interact. energy: -0.000
local terms energy: -428.346546
where:
bonds (distance) C4'-P energy: -106.874
bonds (distance) P-C4' energy: -99.306
flat angles C4'-P-C4' energy: -80.765
flat angles P-C4'-P energy: -92.386
tors. eta vs tors. theta energy: -49.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 1
Temperature: 0.950000
Total energy: -443.087406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -443.087406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -443.087406 (E_RNA)
where:
Base-Base interactions energy: -14.741
where: short stacking energy: -14.741
Base-Backbone interact. energy: -0.000
local terms energy: -428.346546
where:
bonds (distance) C4'-P energy: -106.874
bonds (distance) P-C4' energy: -99.306
flat angles C4'-P-C4' energy: -80.765
flat angles P-C4'-P energy: -92.386
tors. eta vs tors. theta energy: -49.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 1
Temperature: 1.000000
Total energy: -443.087406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -443.087406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -443.087406 (E_RNA)
where:
Base-Base interactions energy: -14.741
where: short stacking energy: -14.741
Base-Backbone interact. energy: -0.000
local terms energy: -428.346546
where:
bonds (distance) C4'-P energy: -106.874
bonds (distance) P-C4' energy: -99.306
flat angles C4'-P-C4' energy: -80.765
flat angles P-C4'-P energy: -92.386
tors. eta vs tors. theta energy: -49.016
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: 4, replica: 4
=====================================
Write number: 1
Temperature: 1.050000
Total energy: -443.087406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -443.087406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -443.087406 (E_RNA)
where:
Base-Base interactions energy: -14.741
where: short stacking energy: -14.741
Base-Backbone interact. energy: -0.000
local terms energy: -428.346546
where:
bonds (distance) C4'-P energy: -106.874
bonds (distance) P-C4' energy: -99.306
flat angles C4'-P-C4' energy: -80.765
flat angles P-C4'-P energy: -92.386
tors. eta vs tors. theta energy: -49.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 1
Temperature: 1.100000
Total energy: -443.087406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -443.087406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -443.087406 (E_RNA)
where:
Base-Base interactions energy: -14.741
where: short stacking energy: -14.741
Base-Backbone interact. energy: -0.000
local terms energy: -428.346546
where:
bonds (distance) C4'-P energy: -106.874
bonds (distance) P-C4' energy: -99.306
flat angles C4'-P-C4' energy: -80.765
flat angles P-C4'-P energy: -92.386
tors. eta vs tors. theta energy: -49.016
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: 6
=====================================
Write number: 1
Temperature: 1.150000
Total energy: -443.087406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -443.087406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -443.087406 (E_RNA)
where:
Base-Base interactions energy: -14.741
where: short stacking energy: -14.741
Base-Backbone interact. energy: -0.000
local terms energy: -428.346546
where:
bonds (distance) C4'-P energy: -106.874
bonds (distance) P-C4' energy: -99.306
flat angles C4'-P-C4' energy: -80.765
flat angles P-C4'-P energy: -92.386
tors. eta vs tors. theta energy: -49.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 1
Temperature: 1.200000
Total energy: -443.087406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -443.087406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -443.087406 (E_RNA)
where:
Base-Base interactions energy: -14.741
where: short stacking energy: -14.741
Base-Backbone interact. energy: -0.000
local terms energy: -428.346546
where:
bonds (distance) C4'-P energy: -106.874
bonds (distance) P-C4' energy: -99.306
flat angles C4'-P-C4' energy: -80.765
flat angles P-C4'-P energy: -92.386
tors. eta vs tors. theta energy: -49.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 1
Temperature: 1.250000
Total energy: -443.087406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -443.087406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -443.087406 (E_RNA)
where:
Base-Base interactions energy: -14.741
where: short stacking energy: -14.741
Base-Backbone interact. energy: -0.000
local terms energy: -428.346546
where:
bonds (distance) C4'-P energy: -106.874
bonds (distance) P-C4' energy: -99.306
flat angles C4'-P-C4' energy: -80.765
flat angles P-C4'-P energy: -92.386
tors. eta vs tors. theta energy: -49.016
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: 9
=====================================
Write number: 1
Temperature: 1.300000
Total energy: -443.087406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -443.087406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -443.087406 (E_RNA)
where:
Base-Base interactions energy: -14.741
where: short stacking energy: -14.741
Base-Backbone interact. energy: -0.000
local terms energy: -428.346546
where:
bonds (distance) C4'-P energy: -106.874
bonds (distance) P-C4' energy: -99.306
flat angles C4'-P-C4' energy: -80.765
flat angles P-C4'-P energy: -92.386
tors. eta vs tors. theta energy: -49.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 1
Temperature: 1.350000
Total energy: -443.087406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -443.087406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -443.087406 (E_RNA)
where:
Base-Base interactions energy: -14.741
where: short stacking energy: -14.741
Base-Backbone interact. energy: -0.000
local terms energy: -428.346546
where:
bonds (distance) C4'-P energy: -106.874
bonds (distance) P-C4' energy: -99.306
flat angles C4'-P-C4' energy: -80.765
flat angles P-C4'-P energy: -92.386
tors. eta vs tors. theta energy: -49.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 2
Temperature: 0.900000
Total energy: -517.187294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.187294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.187294 (E_RNA)
where:
Base-Base interactions energy: -210.847
where: short stacking energy: -209.544
Base-Backbone interact. energy: -0.225
local terms energy: -306.115951
where:
bonds (distance) C4'-P energy: -75.710
bonds (distance) P-C4' energy: -70.313
flat angles C4'-P-C4' energy: -64.363
flat angles P-C4'-P energy: -46.900
tors. eta vs tors. theta energy: -48.831
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 2
Temperature: 0.950000
Total energy: -523.482691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.482691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.482691 (E_RNA)
where:
Base-Base interactions energy: -230.809
where: short stacking energy: -182.918
Base-Backbone interact. energy: -1.561
local terms energy: -291.113068
where:
bonds (distance) C4'-P energy: -62.400
bonds (distance) P-C4' energy: -77.486
flat angles C4'-P-C4' energy: -63.898
flat angles P-C4'-P energy: -51.762
tors. eta vs tors. theta energy: -35.567
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 2
Temperature: 1.000000
Total energy: -455.582613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -455.582613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -455.582613 (E_RNA)
where:
Base-Base interactions energy: -202.370
where: short stacking energy: -184.503
Base-Backbone interact. energy: -0.234
local terms energy: -252.978551
where:
bonds (distance) C4'-P energy: -63.430
bonds (distance) P-C4' energy: -65.864
flat angles C4'-P-C4' energy: -58.117
flat angles P-C4'-P energy: -35.811
tors. eta vs tors. theta energy: -29.756
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 2
Temperature: 1.050000
Total energy: -444.025201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -444.025201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -444.025201 (E_RNA)
where:
Base-Base interactions energy: -23.425
where: short stacking energy: -23.425
Base-Backbone interact. energy: -0.000
local terms energy: -420.600493
where:
bonds (distance) C4'-P energy: -103.296
bonds (distance) P-C4' energy: -96.942
flat angles C4'-P-C4' energy: -79.442
flat angles P-C4'-P energy: -91.462
tors. eta vs tors. theta energy: -49.458
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 2
Temperature: 1.100000
Total energy: -447.092169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -447.092169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -447.092169 (E_RNA)
where:
Base-Base interactions energy: -35.355
where: short stacking energy: -35.355
Base-Backbone interact. energy: -0.000
local terms energy: -411.736627
where:
bonds (distance) C4'-P energy: -93.328
bonds (distance) P-C4' energy: -95.459
flat angles C4'-P-C4' energy: -81.682
flat angles P-C4'-P energy: -90.570
tors. eta vs tors. theta energy: -50.698
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 2
Temperature: 1.150000
Total energy: -444.531277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -444.531277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -444.531277 (E_RNA)
where:
Base-Base interactions energy: -26.803
where: short stacking energy: -26.803
Base-Backbone interact. energy: -0.000
local terms energy: -417.727736
where:
bonds (distance) C4'-P energy: -101.418
bonds (distance) P-C4' energy: -95.596
flat angles C4'-P-C4' energy: -80.254
flat angles P-C4'-P energy: -91.596
tors. eta vs tors. theta energy: -48.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 2
Temperature: 1.200000
Total energy: -444.971852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -444.971852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -444.971852 (E_RNA)
where:
Base-Base interactions energy: -25.475
where: short stacking energy: -25.475
Base-Backbone interact. energy: -0.000
local terms energy: -419.497208
where:
bonds (distance) C4'-P energy: -102.076
bonds (distance) P-C4' energy: -96.283
flat angles C4'-P-C4' energy: -80.196
flat angles P-C4'-P energy: -91.992
tors. eta vs tors. theta energy: -48.951
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 2
Temperature: 1.250000
Total energy: -445.307155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -445.307155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -445.307155 (E_RNA)
where:
Base-Base interactions energy: -25.914
where: short stacking energy: -25.914
Base-Backbone interact. energy: -0.000
local terms energy: -419.392836
where:
bonds (distance) C4'-P energy: -102.076
bonds (distance) P-C4' energy: -96.283
flat angles C4'-P-C4' energy: -80.196
flat angles P-C4'-P energy: -91.992
tors. eta vs tors. theta energy: -48.846
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 2
Temperature: 1.300000
Total energy: -444.200309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -444.200309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -444.200309 (E_RNA)
where:
Base-Base interactions energy: -25.903
where: short stacking energy: -25.903
Base-Backbone interact. energy: -0.000
local terms energy: -418.296924
where:
bonds (distance) C4'-P energy: -102.076
bonds (distance) P-C4' energy: -95.045
flat angles C4'-P-C4' energy: -80.338
flat angles P-C4'-P energy: -91.992
tors. eta vs tors. theta energy: -48.846
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 2
Temperature: 1.350000
Total energy: -442.839631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -442.839631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -442.839631 (E_RNA)
where:
Base-Base interactions energy: -17.900
where: short stacking energy: -17.900
Base-Backbone interact. energy: -0.000
local terms energy: -424.939149
where:
bonds (distance) C4'-P energy: -104.936
bonds (distance) P-C4' energy: -99.045
flat angles C4'-P-C4' energy: -79.713
flat angles P-C4'-P energy: -92.264
tors. eta vs tors. theta energy: -48.980
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 3
Temperature: 0.900000
Total energy: -565.523253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -565.523253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -565.523253 (E_RNA)
where:
Base-Base interactions energy: -263.222
where: short stacking energy: -211.900
Base-Backbone interact. energy: -1.428
local terms energy: -300.873310
where:
bonds (distance) C4'-P energy: -67.205
bonds (distance) P-C4' energy: -76.034
flat angles C4'-P-C4' energy: -58.704
flat angles P-C4'-P energy: -44.897
tors. eta vs tors. theta energy: -54.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 3
Temperature: 0.950000
Total energy: -589.777917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -589.777917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -589.777917 (E_RNA)
where:
Base-Base interactions energy: -299.237
where: short stacking energy: -179.344
Base-Backbone interact. energy: -1.369
local terms energy: -289.171549
where:
bonds (distance) C4'-P energy: -70.165
bonds (distance) P-C4' energy: -73.991
flat angles C4'-P-C4' energy: -65.068
flat angles P-C4'-P energy: -35.796
tors. eta vs tors. theta energy: -44.151
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 3
Temperature: 1.000000
Total energy: -516.637688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.637688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.637688 (E_RNA)
where:
Base-Base interactions energy: -243.709
where: short stacking energy: -164.941
Base-Backbone interact. energy: -1.542
local terms energy: -271.387448
where:
bonds (distance) C4'-P energy: -56.573
bonds (distance) P-C4' energy: -76.370
flat angles C4'-P-C4' energy: -71.398
flat angles P-C4'-P energy: -38.698
tors. eta vs tors. theta energy: -28.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 3
Temperature: 1.050000
Total energy: -449.196454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -449.196454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -449.196454 (E_RNA)
where:
Base-Base interactions energy: -200.920
where: short stacking energy: -151.415
Base-Backbone interact. energy: 5.056
local terms energy: -253.332503
where:
bonds (distance) C4'-P energy: -60.849
bonds (distance) P-C4' energy: -69.574
flat angles C4'-P-C4' energy: -55.350
flat angles P-C4'-P energy: -49.699
tors. eta vs tors. theta energy: -17.860
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: 5
=====================================
Write number: 3
Temperature: 1.100000
Total energy: -412.858118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.858118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.858118 (E_RNA)
where:
Base-Base interactions energy: -164.925
where: short stacking energy: -130.753
Base-Backbone interact. energy: 0.083
local terms energy: -248.016267
where:
bonds (distance) C4'-P energy: -62.562
bonds (distance) P-C4' energy: -74.800
flat angles C4'-P-C4' energy: -54.637
flat angles P-C4'-P energy: -33.143
tors. eta vs tors. theta energy: -22.875
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 3
Temperature: 1.150000
Total energy: -379.227025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -379.227025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -379.227025 (E_RNA)
where:
Base-Base interactions energy: -138.663
where: short stacking energy: -119.959
Base-Backbone interact. energy: 1.921
local terms energy: -242.484407
where:
bonds (distance) C4'-P energy: -57.968
bonds (distance) P-C4' energy: -62.265
flat angles C4'-P-C4' energy: -64.156
flat angles P-C4'-P energy: -47.593
tors. eta vs tors. theta energy: -10.503
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: 6
=====================================
Write number: 3
Temperature: 1.200000
Total energy: -348.999381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.999381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.999381 (E_RNA)
where:
Base-Base interactions energy: -127.689
where: short stacking energy: -102.797
Base-Backbone interact. energy: -1.423
local terms energy: -219.887414
where:
bonds (distance) C4'-P energy: -54.143
bonds (distance) P-C4' energy: -68.019
flat angles C4'-P-C4' energy: -54.833
flat angles P-C4'-P energy: -39.672
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: 8, replica: 9
=====================================
Write number: 3
Temperature: 1.250000
Total energy: -308.883760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.883760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.883760 (E_RNA)
where:
Base-Base interactions energy: -104.226
where: short stacking energy: -95.192
Base-Backbone interact. energy: -1.366
local terms energy: -203.290817
where:
bonds (distance) C4'-P energy: -66.281
bonds (distance) P-C4' energy: -55.889
flat angles C4'-P-C4' energy: -39.650
flat angles P-C4'-P energy: -38.058
tors. eta vs tors. theta energy: -3.412
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 3
Temperature: 1.300000
Total energy: -295.418401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.418401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.418401 (E_RNA)
where:
Base-Base interactions energy: -103.852
where: short stacking energy: -89.053
Base-Backbone interact. energy: -2.177
local terms energy: -189.389234
where:
bonds (distance) C4'-P energy: -54.840
bonds (distance) P-C4' energy: -55.629
flat angles C4'-P-C4' energy: -40.432
flat angles P-C4'-P energy: -29.945
tors. eta vs tors. theta energy: -8.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 3
Temperature: 1.350000
Total energy: -257.055587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.055587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.055587 (E_RNA)
where:
Base-Base interactions energy: -73.696
where: short stacking energy: -63.014
Base-Backbone interact. energy: -0.525
local terms energy: -182.834604
where:
bonds (distance) C4'-P energy: -65.860
bonds (distance) P-C4' energy: -56.419
flat angles C4'-P-C4' energy: -43.607
flat angles P-C4'-P energy: -28.701
tors. eta vs tors. theta energy: 11.752
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 4
Temperature: 0.900000
Total energy: -709.578777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -709.578777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -709.578777 (E_RNA)
where:
Base-Base interactions energy: -401.829
where: short stacking energy: -236.373
Base-Backbone interact. energy: -1.663
local terms energy: -306.087106
where:
bonds (distance) C4'-P energy: -70.840
bonds (distance) P-C4' energy: -64.184
flat angles C4'-P-C4' energy: -61.923
flat angles P-C4'-P energy: -49.383
tors. eta vs tors. theta energy: -59.757
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: 1
=====================================
Write number: 4
Temperature: 0.950000
Total energy: -568.028911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -568.028911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -568.028911 (E_RNA)
where:
Base-Base interactions energy: -260.937
where: short stacking energy: -176.587
Base-Backbone interact. energy: -1.897
local terms energy: -305.195058
where:
bonds (distance) C4'-P energy: -76.694
bonds (distance) P-C4' energy: -71.665
flat angles C4'-P-C4' energy: -76.827
flat angles P-C4'-P energy: -47.485
tors. eta vs tors. theta energy: -32.524
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 4
Temperature: 1.000000
Total energy: -562.407777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -562.407777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -562.407777 (E_RNA)
where:
Base-Base interactions energy: -265.049
where: short stacking energy: -202.677
Base-Backbone interact. energy: -1.486
local terms energy: -295.873286
where:
bonds (distance) C4'-P energy: -67.694
bonds (distance) P-C4' energy: -72.184
flat angles C4'-P-C4' energy: -65.729
flat angles P-C4'-P energy: -41.533
tors. eta vs tors. theta energy: -48.733
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 4
Temperature: 1.050000
Total energy: -466.036340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -466.036340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -466.036340 (E_RNA)
where:
Base-Base interactions energy: -188.171
where: short stacking energy: -138.368
Base-Backbone interact. energy: -0.648
local terms energy: -277.217198
where:
bonds (distance) C4'-P energy: -73.478
bonds (distance) P-C4' energy: -75.445
flat angles C4'-P-C4' energy: -64.106
flat angles P-C4'-P energy: -39.612
tors. eta vs tors. theta energy: -24.576
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 4
Temperature: 1.100000
Total energy: -463.545848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -463.545848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -463.545848 (E_RNA)
where:
Base-Base interactions energy: -229.394
where: short stacking energy: -144.948
Base-Backbone interact. energy: -1.474
local terms energy: -232.678657
where:
bonds (distance) C4'-P energy: -64.463
bonds (distance) P-C4' energy: -54.753
flat angles C4'-P-C4' energy: -47.913
flat angles P-C4'-P energy: -46.911
tors. eta vs tors. theta energy: -18.638
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: 7
=====================================
Write number: 4
Temperature: 1.150000
Total energy: -359.313147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.313147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.313147 (E_RNA)
where:
Base-Base interactions energy: -134.201
where: short stacking energy: -105.183
Base-Backbone interact. energy: 1.069
local terms energy: -226.180544
where:
bonds (distance) C4'-P energy: -56.309
bonds (distance) P-C4' energy: -73.765
flat angles C4'-P-C4' energy: -61.521
flat angles P-C4'-P energy: -38.059
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: 7, replica: 6
=====================================
Write number: 4
Temperature: 1.200000
Total energy: -357.383283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.383283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.383283 (E_RNA)
where:
Base-Base interactions energy: -138.915
where: short stacking energy: -107.271
Base-Backbone interact. energy: 2.076
local terms energy: -220.544915
where:
bonds (distance) C4'-P energy: -61.208
bonds (distance) P-C4' energy: -64.169
flat angles C4'-P-C4' energy: -57.197
flat angles P-C4'-P energy: -37.757
tors. eta vs tors. theta energy: -0.213
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 4
Temperature: 1.250000
Total energy: -341.547807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.547807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.547807 (E_RNA)
where:
Base-Base interactions energy: -137.600
where: short stacking energy: -95.653
Base-Backbone interact. energy: 6.000
local terms energy: -209.947715
where:
bonds (distance) C4'-P energy: -57.123
bonds (distance) P-C4' energy: -66.023
flat angles C4'-P-C4' energy: -50.038
flat angles P-C4'-P energy: -38.345
tors. eta vs tors. theta energy: 1.582
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 4
Temperature: 1.300000
Total energy: -279.969598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.969598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.969598 (E_RNA)
where:
Base-Base interactions energy: -94.745
where: short stacking energy: -83.509
Base-Backbone interact. energy: -1.795
local terms energy: -183.428805
where:
bonds (distance) C4'-P energy: -49.226
bonds (distance) P-C4' energy: -55.110
flat angles C4'-P-C4' energy: -46.654
flat angles P-C4'-P energy: -29.295
tors. eta vs tors. theta energy: -3.144
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 4
Temperature: 1.350000
Total energy: -279.832170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.832170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.832170 (E_RNA)
where:
Base-Base interactions energy: -80.709
where: short stacking energy: -64.301
Base-Backbone interact. energy: -0.079
local terms energy: -199.043576
where:
bonds (distance) C4'-P energy: -63.154
bonds (distance) P-C4' energy: -58.361
flat angles C4'-P-C4' energy: -51.710
flat angles P-C4'-P energy: -41.414
tors. eta vs tors. theta energy: 15.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 5
Temperature: 0.900000
Total energy: -741.474612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -741.474612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -741.474612 (E_RNA)
where:
Base-Base interactions energy: -408.725
where: short stacking energy: -236.178
Base-Backbone interact. energy: -1.378
local terms energy: -331.371404
where:
bonds (distance) C4'-P energy: -75.688
bonds (distance) P-C4' energy: -75.079
flat angles C4'-P-C4' energy: -60.991
flat angles P-C4'-P energy: -47.126
tors. eta vs tors. theta energy: -72.487
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 5
Temperature: 0.950000
Total energy: -555.484545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -555.484545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -555.484545 (E_RNA)
where:
Base-Base interactions energy: -274.821
where: short stacking energy: -192.090
Base-Backbone interact. energy: -1.900
local terms energy: -278.763212
where:
bonds (distance) C4'-P energy: -75.176
bonds (distance) P-C4' energy: -67.574
flat angles C4'-P-C4' energy: -63.809
flat angles P-C4'-P energy: -33.720
tors. eta vs tors. theta energy: -38.485
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 5
Temperature: 1.000000
Total energy: -576.607537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -576.607537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -576.607537 (E_RNA)
where:
Base-Base interactions energy: -270.453
where: short stacking energy: -205.911
Base-Backbone interact. energy: -2.402
local terms energy: -303.752029
where:
bonds (distance) C4'-P energy: -63.460
bonds (distance) P-C4' energy: -71.604
flat angles C4'-P-C4' energy: -73.862
flat angles P-C4'-P energy: -43.618
tors. eta vs tors. theta energy: -51.208
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: 5
=====================================
Write number: 5
Temperature: 1.050000
Total energy: -522.012324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.012324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.012324 (E_RNA)
where:
Base-Base interactions energy: -265.509
where: short stacking energy: -167.983
Base-Backbone interact. energy: -0.695
local terms energy: -255.807775
where:
bonds (distance) C4'-P energy: -60.790
bonds (distance) P-C4' energy: -75.203
flat angles C4'-P-C4' energy: -47.001
flat angles P-C4'-P energy: -48.476
tors. eta vs tors. theta energy: -24.338
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: 4
=====================================
Write number: 5
Temperature: 1.100000
Total energy: -461.729656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -461.729656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -461.729656 (E_RNA)
where:
Base-Base interactions energy: -212.943
where: short stacking energy: -153.263
Base-Backbone interact. energy: -0.887
local terms energy: -247.899493
where:
bonds (distance) C4'-P energy: -62.544
bonds (distance) P-C4' energy: -73.470
flat angles C4'-P-C4' energy: -62.922
flat angles P-C4'-P energy: -30.592
tors. eta vs tors. theta energy: -18.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 5
Temperature: 1.150000
Total energy: -397.511194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -397.511194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -397.511194 (E_RNA)
where:
Base-Base interactions energy: -176.694
where: short stacking energy: -123.933
Base-Backbone interact. energy: -0.465
local terms energy: -220.352978
where:
bonds (distance) C4'-P energy: -57.534
bonds (distance) P-C4' energy: -64.813
flat angles C4'-P-C4' energy: -63.078
flat angles P-C4'-P energy: -25.012
tors. eta vs tors. theta energy: -9.917
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 5
Temperature: 1.200000
Total energy: -328.392699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.392699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.392699 (E_RNA)
where:
Base-Base interactions energy: -115.427
where: short stacking energy: -78.544
Base-Backbone interact. energy: 3.540
local terms energy: -216.505702
where:
bonds (distance) C4'-P energy: -65.480
bonds (distance) P-C4' energy: -65.299
flat angles C4'-P-C4' energy: -64.141
flat angles P-C4'-P energy: -34.176
tors. eta vs tors. theta energy: 12.591
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 5
Temperature: 1.250000
Total energy: -319.523571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.523571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.523571 (E_RNA)
where:
Base-Base interactions energy: -111.375
where: short stacking energy: -97.101
Base-Backbone interact. energy: -1.698
local terms energy: -206.451346
where:
bonds (distance) C4'-P energy: -67.468
bonds (distance) P-C4' energy: -52.309
flat angles C4'-P-C4' energy: -51.187
flat angles P-C4'-P energy: -41.481
tors. eta vs tors. theta energy: 5.994
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 5
Temperature: 1.300000
Total energy: -314.466453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.466453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.466453 (E_RNA)
where:
Base-Base interactions energy: -130.184
where: short stacking energy: -85.498
Base-Backbone interact. energy: 3.546
local terms energy: -187.828063
where:
bonds (distance) C4'-P energy: -56.989
bonds (distance) P-C4' energy: -57.170
flat angles C4'-P-C4' energy: -45.346
flat angles P-C4'-P energy: -38.807
tors. eta vs tors. theta energy: 10.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 5
Temperature: 1.350000
Total energy: -264.859454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.859454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.859454 (E_RNA)
where:
Base-Base interactions energy: -95.607
where: short stacking energy: -70.987
Base-Backbone interact. energy: -0.093
local terms energy: -169.159633
where:
bonds (distance) C4'-P energy: -45.561
bonds (distance) P-C4' energy: -56.573
flat angles C4'-P-C4' energy: -44.740
flat angles P-C4'-P energy: -29.220
tors. eta vs tors. theta energy: 6.934
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 6
Temperature: 0.900000
Total energy: -736.298701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -736.298701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -736.298701 (E_RNA)
where:
Base-Base interactions energy: -413.487
where: short stacking energy: -213.910
Base-Backbone interact. energy: -2.225
local terms energy: -320.586652
where:
bonds (distance) C4'-P energy: -75.133
bonds (distance) P-C4' energy: -77.006
flat angles C4'-P-C4' energy: -76.391
flat angles P-C4'-P energy: -41.829
tors. eta vs tors. theta energy: -50.227
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 6
Temperature: 0.950000
Total energy: -606.076077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -606.076077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -606.076077 (E_RNA)
where:
Base-Base interactions energy: -303.494
where: short stacking energy: -212.102
Base-Backbone interact. energy: -1.199
local terms energy: -301.383010
where:
bonds (distance) C4'-P energy: -61.853
bonds (distance) P-C4' energy: -74.303
flat angles C4'-P-C4' energy: -75.674
flat angles P-C4'-P energy: -49.448
tors. eta vs tors. theta energy: -40.106
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: 3
=====================================
Write number: 6
Temperature: 1.000000
Total energy: -596.782919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -596.782919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -596.782919 (E_RNA)
where:
Base-Base interactions energy: -303.162
where: short stacking energy: -205.794
Base-Backbone interact. energy: -0.962
local terms energy: -292.657994
where:
bonds (distance) C4'-P energy: -71.496
bonds (distance) P-C4' energy: -72.101
flat angles C4'-P-C4' energy: -72.778
flat angles P-C4'-P energy: -34.007
tors. eta vs tors. theta energy: -42.277
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 6
Temperature: 1.050000
Total energy: -530.923767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.923767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.923767 (E_RNA)
where:
Base-Base interactions energy: -241.448
where: short stacking energy: -172.787
Base-Backbone interact. energy: -1.468
local terms energy: -288.008463
where:
bonds (distance) C4'-P energy: -64.742
bonds (distance) P-C4' energy: -70.511
flat angles C4'-P-C4' energy: -68.921
flat angles P-C4'-P energy: -40.426
tors. eta vs tors. theta energy: -43.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 6
Temperature: 1.100000
Total energy: -499.811062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.811062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.811062 (E_RNA)
where:
Base-Base interactions energy: -261.641
where: short stacking energy: -142.362
Base-Backbone interact. energy: -0.710
local terms energy: -237.460066
where:
bonds (distance) C4'-P energy: -50.461
bonds (distance) P-C4' energy: -64.753
flat angles C4'-P-C4' energy: -65.721
flat angles P-C4'-P energy: -36.385
tors. eta vs tors. theta energy: -20.141
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: 4
=====================================
Write number: 6
Temperature: 1.150000
Total energy: -386.928945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -386.928945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -386.928945 (E_RNA)
where:
Base-Base interactions energy: -161.936
where: short stacking energy: -110.874
Base-Backbone interact. energy: -1.528
local terms energy: -223.464553
where:
bonds (distance) C4'-P energy: -57.361
bonds (distance) P-C4' energy: -53.596
flat angles C4'-P-C4' energy: -60.603
flat angles P-C4'-P energy: -40.500
tors. eta vs tors. theta energy: -11.405
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 6
Temperature: 1.200000
Total energy: -352.873155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.873155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.873155 (E_RNA)
where:
Base-Base interactions energy: -121.149
where: short stacking energy: -108.467
Base-Backbone interact. energy: 1.215
local terms energy: -232.939669
where:
bonds (distance) C4'-P energy: -65.065
bonds (distance) P-C4' energy: -62.986
flat angles C4'-P-C4' energy: -60.749
flat angles P-C4'-P energy: -38.256
tors. eta vs tors. theta energy: -5.883
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 6
Temperature: 1.250000
Total energy: -326.239778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.239778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.239778 (E_RNA)
where:
Base-Base interactions energy: -127.286
where: short stacking energy: -89.265
Base-Backbone interact. energy: 1.154
local terms energy: -200.106859
where:
bonds (distance) C4'-P energy: -56.520
bonds (distance) P-C4' energy: -72.754
flat angles C4'-P-C4' energy: -49.311
flat angles P-C4'-P energy: -29.634
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: 9, replica: 8
=====================================
Write number: 6
Temperature: 1.300000
Total energy: -285.973976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.973976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.973976 (E_RNA)
where:
Base-Base interactions energy: -86.476
where: short stacking energy: -80.832
Base-Backbone interact. energy: 0.158
local terms energy: -199.656706
where:
bonds (distance) C4'-P energy: -57.330
bonds (distance) P-C4' energy: -62.566
flat angles C4'-P-C4' energy: -46.663
flat angles P-C4'-P energy: -31.840
tors. eta vs tors. theta energy: -1.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 6
Temperature: 1.350000
Total energy: -279.020668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.020668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.020668 (E_RNA)
where:
Base-Base interactions energy: -85.663
where: short stacking energy: -82.840
Base-Backbone interact. energy: 0.161
local terms energy: -193.518073
where:
bonds (distance) C4'-P energy: -62.493
bonds (distance) P-C4' energy: -48.973
flat angles C4'-P-C4' energy: -59.817
flat angles P-C4'-P energy: -26.072
tors. eta vs tors. theta energy: 3.836
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: 2
=====================================
Write number: 7
Temperature: 0.900000
Total energy: -715.111757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -715.111757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -715.111757 (E_RNA)
where:
Base-Base interactions energy: -413.570
where: short stacking energy: -211.528
Base-Backbone interact. energy: -4.204
local terms energy: -297.337774
where:
bonds (distance) C4'-P energy: -69.824
bonds (distance) P-C4' energy: -71.845
flat angles C4'-P-C4' energy: -67.262
flat angles P-C4'-P energy: -37.999
tors. eta vs tors. theta energy: -50.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 7
Temperature: 0.950000
Total energy: -667.682172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -667.682172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -667.682172 (E_RNA)
where:
Base-Base interactions energy: -372.149
where: short stacking energy: -175.822
Base-Backbone interact. energy: -1.714
local terms energy: -293.819363
where:
bonds (distance) C4'-P energy: -75.277
bonds (distance) P-C4' energy: -65.400
flat angles C4'-P-C4' energy: -66.049
flat angles P-C4'-P energy: -48.200
tors. eta vs tors. theta energy: -38.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 7
Temperature: 1.000000
Total energy: -563.390066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -563.390066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -563.390066 (E_RNA)
where:
Base-Base interactions energy: -286.797
where: short stacking energy: -192.572
Base-Backbone interact. energy: -1.179
local terms energy: -275.413993
where:
bonds (distance) C4'-P energy: -54.843
bonds (distance) P-C4' energy: -71.409
flat angles C4'-P-C4' energy: -53.573
flat angles P-C4'-P energy: -47.418
tors. eta vs tors. theta energy: -48.170
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 7
Temperature: 1.050000
Total energy: -578.022811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -578.022811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -578.022811 (E_RNA)
where:
Base-Base interactions energy: -297.078
where: short stacking energy: -180.997
Base-Backbone interact. energy: 0.925
local terms energy: -281.869423
where:
bonds (distance) C4'-P energy: -70.789
bonds (distance) P-C4' energy: -66.603
flat angles C4'-P-C4' energy: -61.078
flat angles P-C4'-P energy: -39.589
tors. eta vs tors. theta energy: -43.811
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: 6
=====================================
Write number: 7
Temperature: 1.100000
Total energy: -552.159865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.159865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.159865 (E_RNA)
where:
Base-Base interactions energy: -294.547
where: short stacking energy: -165.885
Base-Backbone interact. energy: 1.737
local terms energy: -259.349294
where:
bonds (distance) C4'-P energy: -64.613
bonds (distance) P-C4' energy: -62.143
flat angles C4'-P-C4' energy: -58.205
flat angles P-C4'-P energy: -42.571
tors. eta vs tors. theta energy: -31.817
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 7
Temperature: 1.150000
Total energy: -377.051162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -377.051162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -377.051162 (E_RNA)
where:
Base-Base interactions energy: -153.462
where: short stacking energy: -123.024
Base-Backbone interact. energy: -0.644
local terms energy: -222.944740
where:
bonds (distance) C4'-P energy: -52.991
bonds (distance) P-C4' energy: -68.449
flat angles C4'-P-C4' energy: -50.033
flat angles P-C4'-P energy: -31.332
tors. eta vs tors. theta energy: -20.140
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 7
Temperature: 1.200000
Total energy: -331.695071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.695071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.695071 (E_RNA)
where:
Base-Base interactions energy: -117.227
where: short stacking energy: -98.150
Base-Backbone interact. energy: 2.997
local terms energy: -217.464607
where:
bonds (distance) C4'-P energy: -58.006
bonds (distance) P-C4' energy: -58.711
flat angles C4'-P-C4' energy: -56.427
flat angles P-C4'-P energy: -33.235
tors. eta vs tors. theta energy: -11.086
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: 9
=====================================
Write number: 7
Temperature: 1.250000
Total energy: -324.400967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.400967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.400967 (E_RNA)
where:
Base-Base interactions energy: -118.764
where: short stacking energy: -106.792
Base-Backbone interact. energy: 1.085
local terms energy: -206.722004
where:
bonds (distance) C4'-P energy: -60.519
bonds (distance) P-C4' energy: -65.679
flat angles C4'-P-C4' energy: -55.588
flat angles P-C4'-P energy: -29.673
tors. eta vs tors. theta energy: 4.737
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: 8
=====================================
Write number: 7
Temperature: 1.300000
Total energy: -286.361132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.361132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.361132 (E_RNA)
where:
Base-Base interactions energy: -108.839
where: short stacking energy: -95.318
Base-Backbone interact. energy: 3.124
local terms energy: -180.646848
where:
bonds (distance) C4'-P energy: -43.763
bonds (distance) P-C4' energy: -68.998
flat angles C4'-P-C4' energy: -51.428
flat angles P-C4'-P energy: -26.493
tors. eta vs tors. theta energy: 10.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 7
Temperature: 1.350000
Total energy: -270.320395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.320395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.320395 (E_RNA)
where:
Base-Base interactions energy: -77.305
where: short stacking energy: -60.737
Base-Backbone interact. energy: -1.437
local terms energy: -191.578256
where:
bonds (distance) C4'-P energy: -61.073
bonds (distance) P-C4' energy: -64.401
flat angles C4'-P-C4' energy: -50.503
flat angles P-C4'-P energy: -27.024
tors. eta vs tors. theta energy: 11.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 8
Temperature: 0.900000
Total energy: -797.152157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -797.152157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -797.152157 (E_RNA)
where:
Base-Base interactions energy: -470.366
where: short stacking energy: -251.303
Base-Backbone interact. energy: -3.545
local terms energy: -323.241956
where:
bonds (distance) C4'-P energy: -61.979
bonds (distance) P-C4' energy: -78.293
flat angles C4'-P-C4' energy: -69.954
flat angles P-C4'-P energy: -46.219
tors. eta vs tors. theta energy: -66.797
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: 2
=====================================
Write number: 8
Temperature: 0.950000
Total energy: -718.219206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -718.219206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -718.219206 (E_RNA)
where:
Base-Base interactions energy: -416.459
where: short stacking energy: -215.077
Base-Backbone interact. energy: -2.981
local terms energy: -298.779468
where:
bonds (distance) C4'-P energy: -62.794
bonds (distance) P-C4' energy: -69.857
flat angles C4'-P-C4' energy: -71.242
flat angles P-C4'-P energy: -39.185
tors. eta vs tors. theta energy: -55.700
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 8
Temperature: 1.000000
Total energy: -606.203635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -606.203635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -606.203635 (E_RNA)
where:
Base-Base interactions energy: -322.765
where: short stacking energy: -181.550
Base-Backbone interact. energy: -0.586
local terms energy: -282.852603
where:
bonds (distance) C4'-P energy: -68.793
bonds (distance) P-C4' energy: -57.754
flat angles C4'-P-C4' energy: -76.846
flat angles P-C4'-P energy: -43.362
tors. eta vs tors. theta energy: -36.097
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: 1
=====================================
Write number: 8
Temperature: 1.050000
Total energy: -522.768690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.768690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.768690 (E_RNA)
where:
Base-Base interactions energy: -268.486
where: short stacking energy: -159.831
Base-Backbone interact. energy: -0.257
local terms energy: -254.025635
where:
bonds (distance) C4'-P energy: -63.217
bonds (distance) P-C4' energy: -56.442
flat angles C4'-P-C4' energy: -62.249
flat angles P-C4'-P energy: -46.930
tors. eta vs tors. theta energy: -25.186
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: 6
=====================================
Write number: 8
Temperature: 1.100000
Total energy: -512.732379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.732379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.732379 (E_RNA)
where:
Base-Base interactions energy: -257.367
where: short stacking energy: -154.708
Base-Backbone interact. energy: -0.894
local terms energy: -254.471725
where:
bonds (distance) C4'-P energy: -63.697
bonds (distance) P-C4' energy: -59.235
flat angles C4'-P-C4' energy: -65.701
flat angles P-C4'-P energy: -39.502
tors. eta vs tors. theta energy: -26.338
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 8
Temperature: 1.150000
Total energy: -432.079074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -432.079074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -432.079074 (E_RNA)
where:
Base-Base interactions energy: -193.418
where: short stacking energy: -127.043
Base-Backbone interact. energy: -1.039
local terms energy: -237.622214
where:
bonds (distance) C4'-P energy: -61.841
bonds (distance) P-C4' energy: -64.331
flat angles C4'-P-C4' energy: -59.318
flat angles P-C4'-P energy: -39.682
tors. eta vs tors. theta energy: -12.451
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 8
Temperature: 1.200000
Total energy: -337.416550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.416550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.416550 (E_RNA)
where:
Base-Base interactions energy: -135.187
where: short stacking energy: -94.815
Base-Backbone interact. energy: 4.955
local terms energy: -207.183682
where:
bonds (distance) C4'-P energy: -54.234
bonds (distance) P-C4' energy: -74.875
flat angles C4'-P-C4' energy: -51.402
flat angles P-C4'-P energy: -18.691
tors. eta vs tors. theta energy: -7.981
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 8
Temperature: 1.250000
Total energy: -319.263206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.263206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.263206 (E_RNA)
where:
Base-Base interactions energy: -127.776
where: short stacking energy: -80.379
Base-Backbone interact. energy: -0.242
local terms energy: -191.245395
where:
bonds (distance) C4'-P energy: -44.499
bonds (distance) P-C4' energy: -62.158
flat angles C4'-P-C4' energy: -63.680
flat angles P-C4'-P energy: -26.216
tors. eta vs tors. theta energy: 5.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 8
Temperature: 1.300000
Total energy: -285.864556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.864556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.864556 (E_RNA)
where:
Base-Base interactions energy: -98.842
where: short stacking energy: -77.637
Base-Backbone interact. energy: -0.693
local terms energy: -186.330301
where:
bonds (distance) C4'-P energy: -59.202
bonds (distance) P-C4' energy: -66.691
flat angles C4'-P-C4' energy: -49.662
flat angles P-C4'-P energy: -26.672
tors. eta vs tors. theta energy: 15.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 8
Temperature: 1.350000
Total energy: -254.007895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.007895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.007895 (E_RNA)
where:
Base-Base interactions energy: -72.556
where: short stacking energy: -46.709
Base-Backbone interact. energy: 0.933
local terms energy: -182.385399
where:
bonds (distance) C4'-P energy: -61.150
bonds (distance) P-C4' energy: -62.743
flat angles C4'-P-C4' energy: -39.643
flat angles P-C4'-P energy: -37.587
tors. eta vs tors. theta energy: 18.738
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 9
Temperature: 0.900000
Total energy: -830.062719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -830.062719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -830.062719 (E_RNA)
where:
Base-Base interactions energy: -507.156
where: short stacking energy: -244.851
Base-Backbone interact. energy: -1.474
local terms energy: -321.433314
where:
bonds (distance) C4'-P energy: -67.626
bonds (distance) P-C4' energy: -69.537
flat angles C4'-P-C4' energy: -72.462
flat angles P-C4'-P energy: -47.658
tors. eta vs tors. theta energy: -64.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 9
Temperature: 0.950000
Total energy: -714.599722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -714.599722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -714.599722 (E_RNA)
where:
Base-Base interactions energy: -412.056
where: short stacking energy: -214.935
Base-Backbone interact. energy: 0.721
local terms energy: -303.265188
where:
bonds (distance) C4'-P energy: -65.595
bonds (distance) P-C4' energy: -64.025
flat angles C4'-P-C4' energy: -72.050
flat angles P-C4'-P energy: -43.953
tors. eta vs tors. theta energy: -57.642
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 9
Temperature: 1.000000
Total energy: -671.016615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -671.016615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -671.016615 (E_RNA)
where:
Base-Base interactions energy: -382.362
where: short stacking energy: -233.027
Base-Backbone interact. energy: 1.542
local terms energy: -290.197176
where:
bonds (distance) C4'-P energy: -62.050
bonds (distance) P-C4' energy: -66.292
flat angles C4'-P-C4' energy: -63.831
flat angles P-C4'-P energy: -48.751
tors. eta vs tors. theta energy: -49.273
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: 4, replica: 1
=====================================
Write number: 9
Temperature: 1.050000
Total energy: -495.216497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.216497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.216497 (E_RNA)
where:
Base-Base interactions energy: -248.174
where: short stacking energy: -151.707
Base-Backbone interact. energy: -2.388
local terms energy: -244.655139
where:
bonds (distance) C4'-P energy: -60.171
bonds (distance) P-C4' energy: -65.903
flat angles C4'-P-C4' energy: -73.335
flat angles P-C4'-P energy: -26.361
tors. eta vs tors. theta energy: -18.885
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 9
Temperature: 1.100000
Total energy: -504.499462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.499462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.499462 (E_RNA)
where:
Base-Base interactions energy: -268.910
where: short stacking energy: -144.659
Base-Backbone interact. energy: 0.671
local terms energy: -236.260163
where:
bonds (distance) C4'-P energy: -62.594
bonds (distance) P-C4' energy: -67.669
flat angles C4'-P-C4' energy: -50.248
flat angles P-C4'-P energy: -27.091
tors. eta vs tors. theta energy: -28.658
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 9
Temperature: 1.150000
Total energy: -439.331639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -439.331639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -439.331639 (E_RNA)
where:
Base-Base interactions energy: -202.122
where: short stacking energy: -130.644
Base-Backbone interact. energy: 1.649
local terms energy: -238.858858
where:
bonds (distance) C4'-P energy: -62.867
bonds (distance) P-C4' energy: -77.527
flat angles C4'-P-C4' energy: -48.570
flat angles P-C4'-P energy: -42.556
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: 7, replica: 4
=====================================
Write number: 9
Temperature: 1.200000
Total energy: -337.607932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.607932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.607932 (E_RNA)
where:
Base-Base interactions energy: -126.969
where: short stacking energy: -85.958
Base-Backbone interact. energy: -1.674
local terms energy: -208.964882
where:
bonds (distance) C4'-P energy: -58.675
bonds (distance) P-C4' energy: -64.698
flat angles C4'-P-C4' energy: -46.717
flat angles P-C4'-P energy: -31.710
tors. eta vs tors. theta energy: -7.165
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 9
Temperature: 1.250000
Total energy: -339.874396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.874396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.874396 (E_RNA)
where:
Base-Base interactions energy: -143.763
where: short stacking energy: -95.597
Base-Backbone interact. energy: 2.519
local terms energy: -198.629762
where:
bonds (distance) C4'-P energy: -44.451
bonds (distance) P-C4' energy: -60.797
flat angles C4'-P-C4' energy: -64.798
flat angles P-C4'-P energy: -35.168
tors. eta vs tors. theta energy: 6.585
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 9
Temperature: 1.300000
Total energy: -315.283003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.283003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.283003 (E_RNA)
where:
Base-Base interactions energy: -117.873
where: short stacking energy: -95.382
Base-Backbone interact. energy: 2.665
local terms energy: -200.075749
where:
bonds (distance) C4'-P energy: -51.096
bonds (distance) P-C4' energy: -63.226
flat angles C4'-P-C4' energy: -53.004
flat angles P-C4'-P energy: -30.794
tors. eta vs tors. theta energy: -1.955
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 9
Temperature: 1.350000
Total energy: -266.045880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.045880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.045880 (E_RNA)
where:
Base-Base interactions energy: -98.133
where: short stacking energy: -85.584
Base-Backbone interact. energy: 6.549
local terms energy: -174.461202
where:
bonds (distance) C4'-P energy: -50.968
bonds (distance) P-C4' energy: -58.913
flat angles C4'-P-C4' energy: -34.656
flat angles P-C4'-P energy: -35.278
tors. eta vs tors. theta energy: 5.355
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 10
Temperature: 0.900000
Total energy: -776.461724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -776.461724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -776.461724 (E_RNA)
where:
Base-Base interactions energy: -455.143
where: short stacking energy: -228.116
Base-Backbone interact. energy: -1.730
local terms energy: -319.588711
where:
bonds (distance) C4'-P energy: -69.423
bonds (distance) P-C4' energy: -71.873
flat angles C4'-P-C4' energy: -66.899
flat angles P-C4'-P energy: -51.126
tors. eta vs tors. theta energy: -60.268
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 10
Temperature: 0.950000
Total energy: -710.691091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -710.691091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -710.691091 (E_RNA)
where:
Base-Base interactions energy: -413.903
where: short stacking energy: -226.726
Base-Backbone interact. energy: 0.833
local terms energy: -297.620506
where:
bonds (distance) C4'-P energy: -70.030
bonds (distance) P-C4' energy: -68.952
flat angles C4'-P-C4' energy: -67.179
flat angles P-C4'-P energy: -47.723
tors. eta vs tors. theta energy: -43.736
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: 5
=====================================
Write number: 10
Temperature: 1.000000
Total energy: -624.984041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -624.984041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -624.984041 (E_RNA)
where:
Base-Base interactions energy: -347.942
where: short stacking energy: -179.550
Base-Backbone interact. energy: -2.290
local terms energy: -274.751979
where:
bonds (distance) C4'-P energy: -64.312
bonds (distance) P-C4' energy: -73.030
flat angles C4'-P-C4' energy: -62.338
flat angles P-C4'-P energy: -40.505
tors. eta vs tors. theta energy: -34.567
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: 1
=====================================
Write number: 10
Temperature: 1.050000
Total energy: -506.937872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.937872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.937872 (E_RNA)
where:
Base-Base interactions energy: -248.027
where: short stacking energy: -143.337
Base-Backbone interact. energy: -0.244
local terms energy: -258.666087
where:
bonds (distance) C4'-P energy: -67.370
bonds (distance) P-C4' energy: -67.604
flat angles C4'-P-C4' energy: -62.741
flat angles P-C4'-P energy: -40.020
tors. eta vs tors. theta energy: -20.931
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 10
Temperature: 1.100000
Total energy: -528.608123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.608123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.608123 (E_RNA)
where:
Base-Base interactions energy: -276.332
where: short stacking energy: -155.895
Base-Backbone interact. energy: -0.857
local terms energy: -251.419048
where:
bonds (distance) C4'-P energy: -60.641
bonds (distance) P-C4' energy: -63.701
flat angles C4'-P-C4' energy: -56.303
flat angles P-C4'-P energy: -42.766
tors. eta vs tors. theta energy: -28.007
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: 6, replica: 7
=====================================
Write number: 10
Temperature: 1.150000
Total energy: -434.260207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -434.260207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -434.260207 (E_RNA)
where:
Base-Base interactions energy: -204.043
where: short stacking energy: -128.478
Base-Backbone interact. energy: -2.690
local terms energy: -227.527510
where:
bonds (distance) C4'-P energy: -54.483
bonds (distance) P-C4' energy: -54.941
flat angles C4'-P-C4' energy: -62.686
flat angles P-C4'-P energy: -47.347
tors. eta vs tors. theta energy: -8.070
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: 4
=====================================
Write number: 10
Temperature: 1.200000
Total energy: -396.723756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -396.723756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -396.723756 (E_RNA)
where:
Base-Base interactions energy: -182.153
where: short stacking energy: -116.399
Base-Backbone interact. energy: -2.239
local terms energy: -212.331542
where:
bonds (distance) C4'-P energy: -58.291
bonds (distance) P-C4' energy: -62.233
flat angles C4'-P-C4' energy: -51.647
flat angles P-C4'-P energy: -32.235
tors. eta vs tors. theta energy: -7.925
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: 9
=====================================
Write number: 10
Temperature: 1.250000
Total energy: -318.067693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.067693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.067693 (E_RNA)
where:
Base-Base interactions energy: -96.011
where: short stacking energy: -81.441
Base-Backbone interact. energy: -0.230
local terms energy: -221.826877
where:
bonds (distance) C4'-P energy: -64.443
bonds (distance) P-C4' energy: -55.191
flat angles C4'-P-C4' energy: -56.493
flat angles P-C4'-P energy: -43.753
tors. eta vs tors. theta energy: -1.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 10
Temperature: 1.300000
Total energy: -324.249484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.249484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.249484 (E_RNA)
where:
Base-Base interactions energy: -123.813
where: short stacking energy: -85.620
Base-Backbone interact. energy: 0.109
local terms energy: -200.545255
where:
bonds (distance) C4'-P energy: -54.121
bonds (distance) P-C4' energy: -57.556
flat angles C4'-P-C4' energy: -58.850
flat angles P-C4'-P energy: -27.623
tors. eta vs tors. theta energy: -2.395
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 10
Temperature: 1.350000
Total energy: -270.030813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.030813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.030813 (E_RNA)
where:
Base-Base interactions energy: -90.338
where: short stacking energy: -72.702
Base-Backbone interact. energy: 1.045
local terms energy: -180.738481
where:
bonds (distance) C4'-P energy: -59.144
bonds (distance) P-C4' energy: -70.967
flat angles C4'-P-C4' energy: -36.515
flat angles P-C4'-P energy: -34.545
tors. eta vs tors. theta energy: 20.433
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: 3
=====================================
Write number: 11
Temperature: 0.900000
Total energy: -822.916453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -822.916453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -822.916453 (E_RNA)
where:
Base-Base interactions energy: -507.679
where: short stacking energy: -243.805
Base-Backbone interact. energy: -1.173
local terms energy: -314.063949
where:
bonds (distance) C4'-P energy: -66.018
bonds (distance) P-C4' energy: -65.576
flat angles C4'-P-C4' energy: -77.592
flat angles P-C4'-P energy: -45.025
tors. eta vs tors. theta energy: -59.852
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: 2
=====================================
Write number: 11
Temperature: 0.950000
Total energy: -711.704155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -711.704155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -711.704155 (E_RNA)
where:
Base-Base interactions energy: -417.144
where: short stacking energy: -224.084
Base-Backbone interact. energy: -2.202
local terms energy: -292.358253
where:
bonds (distance) C4'-P energy: -64.549
bonds (distance) P-C4' energy: -75.567
flat angles C4'-P-C4' energy: -68.171
flat angles P-C4'-P energy: -31.678
tors. eta vs tors. theta energy: -52.393
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: 3, replica: 5
=====================================
Write number: 11
Temperature: 1.000000
Total energy: -678.111829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -678.111829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -678.111829 (E_RNA)
where:
Base-Base interactions energy: -389.178
where: short stacking energy: -192.751
Base-Backbone interact. energy: 0.700
local terms energy: -289.634051
where:
bonds (distance) C4'-P energy: -68.789
bonds (distance) P-C4' energy: -71.719
flat angles C4'-P-C4' energy: -57.215
flat angles P-C4'-P energy: -47.213
tors. eta vs tors. theta energy: -44.698
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 11
Temperature: 1.050000
Total energy: -516.100446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.100446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.100446 (E_RNA)
where:
Base-Base interactions energy: -239.446
where: short stacking energy: -151.105
Base-Backbone interact. energy: -2.607
local terms energy: -274.047227
where:
bonds (distance) C4'-P energy: -65.875
bonds (distance) P-C4' energy: -68.319
flat angles C4'-P-C4' energy: -62.931
flat angles P-C4'-P energy: -48.323
tors. eta vs tors. theta energy: -28.598
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 11
Temperature: 1.100000
Total energy: -452.516694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -452.516694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -452.516694 (E_RNA)
where:
Base-Base interactions energy: -204.386
where: short stacking energy: -143.309
Base-Backbone interact. energy: 0.285
local terms energy: -248.415910
where:
bonds (distance) C4'-P energy: -68.811
bonds (distance) P-C4' energy: -69.722
flat angles C4'-P-C4' energy: -61.780
flat angles P-C4'-P energy: -28.728
tors. eta vs tors. theta energy: -19.374
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: 4
=====================================
Write number: 11
Temperature: 1.150000
Total energy: -428.365316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -428.365316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -428.365316 (E_RNA)
where:
Base-Base interactions energy: -201.342
where: short stacking energy: -128.797
Base-Backbone interact. energy: 0.310
local terms energy: -227.333688
where:
bonds (distance) C4'-P energy: -47.781
bonds (distance) P-C4' energy: -71.746
flat angles C4'-P-C4' energy: -65.975
flat angles P-C4'-P energy: -35.525
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: 7, replica: 7
=====================================
Write number: 11
Temperature: 1.200000
Total energy: -359.761646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.761646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.761646 (E_RNA)
where:
Base-Base interactions energy: -160.228
where: short stacking energy: -106.889
Base-Backbone interact. energy: -0.048
local terms energy: -199.485704
where:
bonds (distance) C4'-P energy: -48.211
bonds (distance) P-C4' energy: -65.672
flat angles C4'-P-C4' energy: -51.530
flat angles P-C4'-P energy: -40.916
tors. eta vs tors. theta energy: 6.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 11
Temperature: 1.250000
Total energy: -326.340424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.340424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.340424 (E_RNA)
where:
Base-Base interactions energy: -112.456
where: short stacking energy: -93.026
Base-Backbone interact. energy: -0.094
local terms energy: -213.789530
where:
bonds (distance) C4'-P energy: -53.448
bonds (distance) P-C4' energy: -65.021
flat angles C4'-P-C4' energy: -68.461
flat angles P-C4'-P energy: -30.519
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: 10
=====================================
Write number: 11
Temperature: 1.300000
Total energy: -305.153463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.153463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.153463 (E_RNA)
where:
Base-Base interactions energy: -98.137
where: short stacking energy: -85.114
Base-Backbone interact. energy: 0.904
local terms energy: -207.920136
where:
bonds (distance) C4'-P energy: -54.519
bonds (distance) P-C4' energy: -69.824
flat angles C4'-P-C4' energy: -51.976
flat angles P-C4'-P energy: -33.804
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: 8
=====================================
Write number: 11
Temperature: 1.350000
Total energy: -281.937071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.937071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.937071 (E_RNA)
where:
Base-Base interactions energy: -96.622
where: short stacking energy: -75.722
Base-Backbone interact. energy: -2.495
local terms energy: -182.820480
where:
bonds (distance) C4'-P energy: -56.940
bonds (distance) P-C4' energy: -56.141
flat angles C4'-P-C4' energy: -49.248
flat angles P-C4'-P energy: -28.582
tors. eta vs tors. theta energy: 8.090
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 12
Temperature: 0.900000
Total energy: -849.700741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -849.700741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -849.700741 (E_RNA)
where:
Base-Base interactions energy: -537.500
where: short stacking energy: -258.292
Base-Backbone interact. energy: -0.017
local terms energy: -312.183693
where:
bonds (distance) C4'-P energy: -66.594
bonds (distance) P-C4' energy: -71.876
flat angles C4'-P-C4' energy: -68.911
flat angles P-C4'-P energy: -38.512
tors. eta vs tors. theta energy: -66.290
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 12
Temperature: 0.950000
Total energy: -718.366359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -718.366359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -718.366359 (E_RNA)
where:
Base-Base interactions energy: -429.288
where: short stacking energy: -230.474
Base-Backbone interact. energy: -1.084
local terms energy: -287.995151
where:
bonds (distance) C4'-P energy: -69.449
bonds (distance) P-C4' energy: -71.088
flat angles C4'-P-C4' energy: -72.504
flat angles P-C4'-P energy: -34.450
tors. eta vs tors. theta energy: -40.504
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 12
Temperature: 1.000000
Total energy: -733.146211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -733.146211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -733.146211 (E_RNA)
where:
Base-Base interactions energy: -421.826
where: short stacking energy: -250.297
Base-Backbone interact. energy: 0.195
local terms energy: -311.515377
where:
bonds (distance) C4'-P energy: -64.553
bonds (distance) P-C4' energy: -71.084
flat angles C4'-P-C4' energy: -62.794
flat angles P-C4'-P energy: -44.553
tors. eta vs tors. theta energy: -68.531
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 12
Temperature: 1.050000
Total energy: -500.369672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.369672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.369672 (E_RNA)
where:
Base-Base interactions energy: -224.004
where: short stacking energy: -153.288
Base-Backbone interact. energy: -0.602
local terms energy: -275.763560
where:
bonds (distance) C4'-P energy: -63.692
bonds (distance) P-C4' energy: -76.832
flat angles C4'-P-C4' energy: -64.150
flat angles P-C4'-P energy: -37.764
tors. eta vs tors. theta energy: -33.326
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 12
Temperature: 1.100000
Total energy: -409.054691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -409.054691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -409.054691 (E_RNA)
where:
Base-Base interactions energy: -177.880
where: short stacking energy: -126.859
Base-Backbone interact. energy: 0.549
local terms energy: -231.723567
where:
bonds (distance) C4'-P energy: -62.628
bonds (distance) P-C4' energy: -56.731
flat angles C4'-P-C4' energy: -63.937
flat angles P-C4'-P energy: -28.167
tors. eta vs tors. theta energy: -20.261
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 12
Temperature: 1.150000
Total energy: -425.383980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -425.383980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -425.383980 (E_RNA)
where:
Base-Base interactions energy: -173.801
where: short stacking energy: -119.400
Base-Backbone interact. energy: -1.276
local terms energy: -250.307534
where:
bonds (distance) C4'-P energy: -69.010
bonds (distance) P-C4' energy: -61.516
flat angles C4'-P-C4' energy: -78.205
flat angles P-C4'-P energy: -39.916
tors. eta vs tors. theta energy: -1.660
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: 12
Temperature: 1.200000
Total energy: -347.002290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.002290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.002290 (E_RNA)
where:
Base-Base interactions energy: -119.001
where: short stacking energy: -109.907
Base-Backbone interact. energy: -2.884
local terms energy: -225.118143
where:
bonds (distance) C4'-P energy: -62.632
bonds (distance) P-C4' energy: -65.498
flat angles C4'-P-C4' energy: -55.948
flat angles P-C4'-P energy: -33.651
tors. eta vs tors. theta energy: -7.390
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 12
Temperature: 1.250000
Total energy: -345.620754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.620754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.620754 (E_RNA)
where:
Base-Base interactions energy: -151.715
where: short stacking energy: -93.148
Base-Backbone interact. energy: -1.672
local terms energy: -192.234152
where:
bonds (distance) C4'-P energy: -51.473
bonds (distance) P-C4' energy: -68.833
flat angles C4'-P-C4' energy: -51.038
flat angles P-C4'-P energy: -21.483
tors. eta vs tors. theta energy: 0.593
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 12
Temperature: 1.300000
Total energy: -275.973995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.973995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.973995 (E_RNA)
where:
Base-Base interactions energy: -83.170
where: short stacking energy: -59.278
Base-Backbone interact. energy: 1.232
local terms energy: -194.035905
where:
bonds (distance) C4'-P energy: -52.330
bonds (distance) P-C4' energy: -66.484
flat angles C4'-P-C4' energy: -50.567
flat angles P-C4'-P energy: -31.119
tors. eta vs tors. theta energy: 6.464
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 12
Temperature: 1.350000
Total energy: -264.883834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.883834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.883834 (E_RNA)
where:
Base-Base interactions energy: -88.173
where: short stacking energy: -72.669
Base-Backbone interact. energy: 0.925
local terms energy: -177.635402
where:
bonds (distance) C4'-P energy: -57.173
bonds (distance) P-C4' energy: -60.215
flat angles C4'-P-C4' energy: -51.781
flat angles P-C4'-P energy: -22.794
tors. eta vs tors. theta energy: 14.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 13
Temperature: 0.900000
Total energy: -824.041612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -824.041612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -824.041612 (E_RNA)
where:
Base-Base interactions energy: -506.087
where: short stacking energy: -252.216
Base-Backbone interact. energy: -1.436
local terms energy: -316.518770
where:
bonds (distance) C4'-P energy: -68.947
bonds (distance) P-C4' energy: -76.812
flat angles C4'-P-C4' energy: -70.909
flat angles P-C4'-P energy: -48.066
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: 2, replica: 5
=====================================
Write number: 13
Temperature: 0.950000
Total energy: -765.739481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -765.739481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -765.739481 (E_RNA)
where:
Base-Base interactions energy: -472.380
where: short stacking energy: -210.134
Base-Backbone interact. energy: 1.743
local terms energy: -295.102084
where:
bonds (distance) C4'-P energy: -69.679
bonds (distance) P-C4' energy: -72.717
flat angles C4'-P-C4' energy: -66.680
flat angles P-C4'-P energy: -45.207
tors. eta vs tors. theta energy: -40.819
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: 2
=====================================
Write number: 13
Temperature: 1.000000
Total energy: -667.114637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -667.114637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -667.114637 (E_RNA)
where:
Base-Base interactions energy: -365.549
where: short stacking energy: -197.054
Base-Backbone interact. energy: -1.617
local terms energy: -299.948369
where:
bonds (distance) C4'-P energy: -57.912
bonds (distance) P-C4' energy: -68.786
flat angles C4'-P-C4' energy: -75.541
flat angles P-C4'-P energy: -51.542
tors. eta vs tors. theta energy: -46.167
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: 1
=====================================
Write number: 13
Temperature: 1.050000
Total energy: -462.790808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.790808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -462.790808 (E_RNA)
where:
Base-Base interactions energy: -208.104
where: short stacking energy: -165.531
Base-Backbone interact. energy: -1.115
local terms energy: -253.572353
where:
bonds (distance) C4'-P energy: -56.296
bonds (distance) P-C4' energy: -67.293
flat angles C4'-P-C4' energy: -61.129
flat angles P-C4'-P energy: -41.378
tors. eta vs tors. theta energy: -27.476
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 13
Temperature: 1.100000
Total energy: -414.173391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.173391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.173391 (E_RNA)
where:
Base-Base interactions energy: -168.401
where: short stacking energy: -143.071
Base-Backbone interact. energy: 0.520
local terms energy: -246.292053
where:
bonds (distance) C4'-P energy: -63.987
bonds (distance) P-C4' energy: -71.815
flat angles C4'-P-C4' energy: -59.409
flat angles P-C4'-P energy: -38.142
tors. eta vs tors. theta energy: -12.939
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: 4
=====================================
Write number: 13
Temperature: 1.150000
Total energy: -413.613824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.613824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -413.613824 (E_RNA)
where:
Base-Base interactions energy: -183.388
where: short stacking energy: -120.277
Base-Backbone interact. energy: -2.531
local terms energy: -227.694092
where:
bonds (distance) C4'-P energy: -59.291
bonds (distance) P-C4' energy: -62.893
flat angles C4'-P-C4' energy: -54.310
flat angles P-C4'-P energy: -38.663
tors. eta vs tors. theta energy: -12.537
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: 9
=====================================
Write number: 13
Temperature: 1.200000
Total energy: -331.791123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.791123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.791123 (E_RNA)
where:
Base-Base interactions energy: -120.443
where: short stacking energy: -100.944
Base-Backbone interact. energy: -0.325
local terms energy: -211.023297
where:
bonds (distance) C4'-P energy: -63.813
bonds (distance) P-C4' energy: -59.950
flat angles C4'-P-C4' energy: -60.772
flat angles P-C4'-P energy: -30.985
tors. eta vs tors. theta energy: 4.497
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: 7
=====================================
Write number: 13
Temperature: 1.250000
Total energy: -303.445350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.445350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.445350 (E_RNA)
where:
Base-Base interactions energy: -86.687
where: short stacking energy: -71.908
Base-Backbone interact. energy: -0.893
local terms energy: -215.865407
where:
bonds (distance) C4'-P energy: -51.995
bonds (distance) P-C4' energy: -56.230
flat angles C4'-P-C4' energy: -69.447
flat angles P-C4'-P energy: -42.318
tors. eta vs tors. theta energy: 4.124
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: 9, replica: 10
=====================================
Write number: 13
Temperature: 1.300000
Total energy: -299.771298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.771298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.771298 (E_RNA)
where:
Base-Base interactions energy: -97.821
where: short stacking energy: -68.223
Base-Backbone interact. energy: 0.472
local terms energy: -202.422491
where:
bonds (distance) C4'-P energy: -54.747
bonds (distance) P-C4' energy: -67.388
flat angles C4'-P-C4' energy: -54.243
flat angles P-C4'-P energy: -24.836
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: 10, replica: 8
=====================================
Write number: 13
Temperature: 1.350000
Total energy: -275.980703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.980703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.980703 (E_RNA)
where:
Base-Base interactions energy: -84.903
where: short stacking energy: -64.397
Base-Backbone interact. energy: -2.245
local terms energy: -188.832585
where:
bonds (distance) C4'-P energy: -55.858
bonds (distance) P-C4' energy: -59.731
flat angles C4'-P-C4' energy: -43.964
flat angles P-C4'-P energy: -33.030
tors. eta vs tors. theta energy: 3.751
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 14
Temperature: 0.900000
Total energy: -858.693080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -858.693080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -858.693080 (E_RNA)
where:
Base-Base interactions energy: -530.101
where: short stacking energy: -263.738
Base-Backbone interact. energy: -0.179
local terms energy: -328.413696
where:
bonds (distance) C4'-P energy: -73.904
bonds (distance) P-C4' energy: -68.602
flat angles C4'-P-C4' energy: -65.781
flat angles P-C4'-P energy: -47.076
tors. eta vs tors. theta energy: -73.051
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: 5
=====================================
Write number: 14
Temperature: 0.950000
Total energy: -796.500129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -796.500129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -796.500129 (E_RNA)
where:
Base-Base interactions energy: -479.807
where: short stacking energy: -235.712
Base-Backbone interact. energy: -1.927
local terms energy: -314.766331
where:
bonds (distance) C4'-P energy: -70.528
bonds (distance) P-C4' energy: -67.858
flat angles C4'-P-C4' energy: -62.892
flat angles P-C4'-P energy: -49.907
tors. eta vs tors. theta energy: -63.581
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: 2
=====================================
Write number: 14
Temperature: 1.000000
Total energy: -696.359943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -696.359943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -696.359943 (E_RNA)
where:
Base-Base interactions energy: -386.894
where: short stacking energy: -194.287
Base-Backbone interact. energy: 0.681
local terms energy: -310.146796
where:
bonds (distance) C4'-P energy: -64.466
bonds (distance) P-C4' energy: -62.755
flat angles C4'-P-C4' energy: -81.829
flat angles P-C4'-P energy: -47.821
tors. eta vs tors. theta energy: -53.276
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 14
Temperature: 1.050000
Total energy: -488.130743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.130743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.130743 (E_RNA)
where:
Base-Base interactions energy: -221.859
where: short stacking energy: -144.178
Base-Backbone interact. energy: -1.779
local terms energy: -264.492107
where:
bonds (distance) C4'-P energy: -53.168
bonds (distance) P-C4' energy: -79.023
flat angles C4'-P-C4' energy: -61.789
flat angles P-C4'-P energy: -44.498
tors. eta vs tors. theta energy: -26.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 14
Temperature: 1.100000
Total energy: -469.085508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -469.085508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -469.085508 (E_RNA)
where:
Base-Base interactions energy: -213.812
where: short stacking energy: -151.251
Base-Backbone interact. energy: -3.155
local terms energy: -252.118699
where:
bonds (distance) C4'-P energy: -69.307
bonds (distance) P-C4' energy: -58.039
flat angles C4'-P-C4' energy: -65.786
flat angles P-C4'-P energy: -42.545
tors. eta vs tors. theta energy: -16.442
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: 6, replica: 6
=====================================
Write number: 14
Temperature: 1.150000
Total energy: -369.060941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.060941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.060941 (E_RNA)
where:
Base-Base interactions energy: -130.042
where: short stacking energy: -106.831
Base-Backbone interact. energy: -1.015
local terms energy: -238.003866
where:
bonds (distance) C4'-P energy: -59.930
bonds (distance) P-C4' energy: -65.925
flat angles C4'-P-C4' energy: -54.333
flat angles P-C4'-P energy: -45.441
tors. eta vs tors. theta energy: -12.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 14
Temperature: 1.200000
Total energy: -355.701695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.701695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.701695 (E_RNA)
where:
Base-Base interactions energy: -127.743
where: short stacking energy: -100.993
Base-Backbone interact. energy: 0.205
local terms energy: -228.162910
where:
bonds (distance) C4'-P energy: -72.180
bonds (distance) P-C4' energy: -62.592
flat angles C4'-P-C4' energy: -58.733
flat angles P-C4'-P energy: -38.047
tors. eta vs tors. theta energy: 3.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 14
Temperature: 1.250000
Total energy: -309.757554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.757554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.757554 (E_RNA)
where:
Base-Base interactions energy: -102.305
where: short stacking energy: -90.536
Base-Backbone interact. energy: -1.409
local terms energy: -206.043416
where:
bonds (distance) C4'-P energy: -53.548
bonds (distance) P-C4' energy: -68.635
flat angles C4'-P-C4' energy: -52.618
flat angles P-C4'-P energy: -34.817
tors. eta vs tors. theta energy: 3.575
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 14
Temperature: 1.300000
Total energy: -275.117282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.117282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.117282 (E_RNA)
where:
Base-Base interactions energy: -62.987
where: short stacking energy: -61.151
Base-Backbone interact. energy: -2.132
local terms energy: -209.998371
where:
bonds (distance) C4'-P energy: -65.932
bonds (distance) P-C4' energy: -66.769
flat angles C4'-P-C4' energy: -47.655
flat angles P-C4'-P energy: -33.749
tors. eta vs tors. theta energy: 4.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 14
Temperature: 1.350000
Total energy: -257.252801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.252801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.252801 (E_RNA)
where:
Base-Base interactions energy: -74.274
where: short stacking energy: -46.655
Base-Backbone interact. energy: -0.176
local terms energy: -182.802180
where:
bonds (distance) C4'-P energy: -60.748
bonds (distance) P-C4' energy: -59.070
flat angles C4'-P-C4' energy: -50.500
flat angles P-C4'-P energy: -35.635
tors. eta vs tors. theta energy: 23.151
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 15
Temperature: 0.900000
Total energy: -862.342370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -862.342370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -862.342370 (E_RNA)
where:
Base-Base interactions energy: -536.224
where: short stacking energy: -255.262
Base-Backbone interact. energy: -0.596
local terms energy: -325.522229
where:
bonds (distance) C4'-P energy: -71.554
bonds (distance) P-C4' energy: -70.512
flat angles C4'-P-C4' energy: -67.667
flat angles P-C4'-P energy: -47.894
tors. eta vs tors. theta energy: -67.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 15
Temperature: 0.950000
Total energy: -781.291764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -781.291764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -781.291764 (E_RNA)
where:
Base-Base interactions energy: -469.312
where: short stacking energy: -229.680
Base-Backbone interact. energy: -0.232
local terms energy: -311.747076
where:
bonds (distance) C4'-P energy: -72.208
bonds (distance) P-C4' energy: -72.602
flat angles C4'-P-C4' energy: -73.022
flat angles P-C4'-P energy: -41.359
tors. eta vs tors. theta energy: -52.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 15
Temperature: 1.000000
Total energy: -656.323247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -656.323247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -656.323247 (E_RNA)
where:
Base-Base interactions energy: -361.184
where: short stacking energy: -187.724
Base-Backbone interact. energy: -4.064
local terms energy: -291.075031
where:
bonds (distance) C4'-P energy: -69.192
bonds (distance) P-C4' energy: -67.785
flat angles C4'-P-C4' energy: -72.354
flat angles P-C4'-P energy: -40.124
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: 4, replica: 4
=====================================
Write number: 15
Temperature: 1.050000
Total energy: -593.236865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -593.236865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -593.236865 (E_RNA)
where:
Base-Base interactions energy: -327.966
where: short stacking energy: -170.623
Base-Backbone interact. energy: -1.029
local terms energy: -264.242044
where:
bonds (distance) C4'-P energy: -59.899
bonds (distance) P-C4' energy: -65.496
flat angles C4'-P-C4' energy: -58.599
flat angles P-C4'-P energy: -46.895
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: 1
=====================================
Write number: 15
Temperature: 1.100000
Total energy: -430.547229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -430.547229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -430.547229 (E_RNA)
where:
Base-Base interactions energy: -187.745
where: short stacking energy: -131.189
Base-Backbone interact. energy: -0.699
local terms energy: -242.102969
where:
bonds (distance) C4'-P energy: -69.689
bonds (distance) P-C4' energy: -66.483
flat angles C4'-P-C4' energy: -54.766
flat angles P-C4'-P energy: -33.566
tors. eta vs tors. theta energy: -17.599
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 15
Temperature: 1.150000
Total energy: -421.023109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.023109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -421.023109 (E_RNA)
where:
Base-Base interactions energy: -175.221
where: short stacking energy: -133.683
Base-Backbone interact. energy: -0.746
local terms energy: -245.055859
where:
bonds (distance) C4'-P energy: -69.877
bonds (distance) P-C4' energy: -61.431
flat angles C4'-P-C4' energy: -60.691
flat angles P-C4'-P energy: -37.841
tors. eta vs tors. theta energy: -15.215
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 15
Temperature: 1.200000
Total energy: -341.424193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.424193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.424193 (E_RNA)
where:
Base-Base interactions energy: -133.352
where: short stacking energy: -83.382
Base-Backbone interact. energy: -0.924
local terms energy: -207.148125
where:
bonds (distance) C4'-P energy: -62.534
bonds (distance) P-C4' energy: -57.479
flat angles C4'-P-C4' energy: -51.088
flat angles P-C4'-P energy: -33.164
tors. eta vs tors. theta energy: -2.883
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 15
Temperature: 1.250000
Total energy: -334.592062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.592062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.592062 (E_RNA)
where:
Base-Base interactions energy: -141.864
where: short stacking energy: -75.975
Base-Backbone interact. energy: -1.313
local terms energy: -191.414981
where:
bonds (distance) C4'-P energy: -59.673
bonds (distance) P-C4' energy: -64.616
flat angles C4'-P-C4' energy: -41.622
flat angles P-C4'-P energy: -29.260
tors. eta vs tors. theta energy: 3.756
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 15
Temperature: 1.300000
Total energy: -292.949840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.949840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.949840 (E_RNA)
where:
Base-Base interactions energy: -102.362
where: short stacking energy: -86.986
Base-Backbone interact. energy: -1.665
local terms energy: -188.923330
where:
bonds (distance) C4'-P energy: -53.989
bonds (distance) P-C4' energy: -56.935
flat angles C4'-P-C4' energy: -59.505
flat angles P-C4'-P energy: -27.441
tors. eta vs tors. theta energy: 8.947
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: 8
=====================================
Write number: 15
Temperature: 1.350000
Total energy: -279.965256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.965256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.965256 (E_RNA)
where:
Base-Base interactions energy: -82.444
where: short stacking energy: -74.611
Base-Backbone interact. energy: -0.722
local terms energy: -196.799001
where:
bonds (distance) C4'-P energy: -51.617
bonds (distance) P-C4' energy: -63.157
flat angles C4'-P-C4' energy: -47.661
flat angles P-C4'-P energy: -35.941
tors. eta vs tors. theta energy: 1.578
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 16
Temperature: 0.900000
Total energy: -848.576588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -848.576588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -848.576588 (E_RNA)
where:
Base-Base interactions energy: -540.135
where: short stacking energy: -248.409
Base-Backbone interact. energy: -0.703
local terms energy: -307.738127
where:
bonds (distance) C4'-P energy: -73.748
bonds (distance) P-C4' energy: -62.629
flat angles C4'-P-C4' energy: -70.259
flat angles P-C4'-P energy: -43.657
tors. eta vs tors. theta energy: -57.445
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 16
Temperature: 0.950000
Total energy: -763.706556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -763.706556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -763.706556 (E_RNA)
where:
Base-Base interactions energy: -470.927
where: short stacking energy: -255.045
Base-Backbone interact. energy: -1.289
local terms energy: -291.491381
where:
bonds (distance) C4'-P energy: -65.738
bonds (distance) P-C4' energy: -62.060
flat angles C4'-P-C4' energy: -65.689
flat angles P-C4'-P energy: -44.728
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: 3, replica: 2
=====================================
Write number: 16
Temperature: 1.000000
Total energy: -710.551234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -710.551234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -710.551234 (E_RNA)
where:
Base-Base interactions energy: -415.198
where: short stacking energy: -202.123
Base-Backbone interact. energy: -1.129
local terms energy: -294.224801
where:
bonds (distance) C4'-P energy: -70.888
bonds (distance) P-C4' energy: -69.440
flat angles C4'-P-C4' energy: -69.292
flat angles P-C4'-P energy: -34.178
tors. eta vs tors. theta energy: -50.427
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 16
Temperature: 1.050000
Total energy: -677.742318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -677.742318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -677.742318 (E_RNA)
where:
Base-Base interactions energy: -375.090
where: short stacking energy: -194.217
Base-Backbone interact. energy: -0.646
local terms energy: -302.005599
where:
bonds (distance) C4'-P energy: -76.078
bonds (distance) P-C4' energy: -70.030
flat angles C4'-P-C4' energy: -68.099
flat angles P-C4'-P energy: -39.673
tors. eta vs tors. theta energy: -48.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 16
Temperature: 1.100000
Total energy: -466.894220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -466.894220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -466.894220 (E_RNA)
where:
Base-Base interactions energy: -232.477
where: short stacking energy: -127.660
Base-Backbone interact. energy: 0.048
local terms energy: -234.465931
where:
bonds (distance) C4'-P energy: -64.035
bonds (distance) P-C4' energy: -69.617
flat angles C4'-P-C4' energy: -56.984
flat angles P-C4'-P energy: -27.329
tors. eta vs tors. theta energy: -16.501
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 16
Temperature: 1.150000
Total energy: -381.197642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -381.197642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -381.197642 (E_RNA)
where:
Base-Base interactions energy: -160.143
where: short stacking energy: -101.068
Base-Backbone interact. energy: -1.504
local terms energy: -219.550516
where:
bonds (distance) C4'-P energy: -64.500
bonds (distance) P-C4' energy: -69.980
flat angles C4'-P-C4' energy: -54.493
flat angles P-C4'-P energy: -38.196
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: 7, replica: 9
=====================================
Write number: 16
Temperature: 1.200000
Total energy: -339.209475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.209475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.209475 (E_RNA)
where:
Base-Base interactions energy: -133.981
where: short stacking energy: -84.857
Base-Backbone interact. energy: -0.893
local terms energy: -204.335454
where:
bonds (distance) C4'-P energy: -63.920
bonds (distance) P-C4' energy: -62.805
flat angles C4'-P-C4' energy: -60.507
flat angles P-C4'-P energy: -35.189
tors. eta vs tors. theta energy: 18.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 16
Temperature: 1.250000
Total energy: -317.126290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.126290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.126290 (E_RNA)
where:
Base-Base interactions energy: -113.317
where: short stacking energy: -91.101
Base-Backbone interact. energy: -2.002
local terms energy: -201.807307
where:
bonds (distance) C4'-P energy: -59.231
bonds (distance) P-C4' energy: -61.021
flat angles C4'-P-C4' energy: -53.944
flat angles P-C4'-P energy: -41.970
tors. eta vs tors. theta energy: 14.358
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: 8
=====================================
Write number: 16
Temperature: 1.300000
Total energy: -288.177393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.177393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.177393 (E_RNA)
where:
Base-Base interactions energy: -114.553
where: short stacking energy: -65.525
Base-Backbone interact. energy: -1.788
local terms energy: -171.835812
where:
bonds (distance) C4'-P energy: -51.999
bonds (distance) P-C4' energy: -61.447
flat angles C4'-P-C4' energy: -49.067
flat angles P-C4'-P energy: -21.924
tors. eta vs tors. theta energy: 12.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 16
Temperature: 1.350000
Total energy: -298.927284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.927284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.927284 (E_RNA)
where:
Base-Base interactions energy: -122.040
where: short stacking energy: -88.446
Base-Backbone interact. energy: -2.466
local terms energy: -174.421341
where:
bonds (distance) C4'-P energy: -51.599
bonds (distance) P-C4' energy: -56.817
flat angles C4'-P-C4' energy: -52.960
flat angles P-C4'-P energy: -16.916
tors. eta vs tors. theta energy: 3.871
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 17
Temperature: 0.900000
Total energy: -854.751724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -854.751724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -854.751724 (E_RNA)
where:
Base-Base interactions energy: -538.275
where: short stacking energy: -262.417
Base-Backbone interact. energy: -1.552
local terms energy: -314.924563
where:
bonds (distance) C4'-P energy: -66.117
bonds (distance) P-C4' energy: -66.344
flat angles C4'-P-C4' energy: -64.524
flat angles P-C4'-P energy: -52.175
tors. eta vs tors. theta energy: -65.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 17
Temperature: 0.950000
Total energy: -786.132524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -786.132524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -786.132524 (E_RNA)
where:
Base-Base interactions energy: -479.110
where: short stacking energy: -256.053
Base-Backbone interact. energy: 2.277
local terms energy: -309.299225
where:
bonds (distance) C4'-P energy: -68.162
bonds (distance) P-C4' energy: -61.420
flat angles C4'-P-C4' energy: -73.837
flat angles P-C4'-P energy: -41.165
tors. eta vs tors. theta energy: -64.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 17
Temperature: 1.000000
Total energy: -731.788692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -731.788692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -731.788692 (E_RNA)
where:
Base-Base interactions energy: -424.849
where: short stacking energy: -213.218
Base-Backbone interact. energy: -4.551
local terms energy: -302.389047
where:
bonds (distance) C4'-P energy: -65.938
bonds (distance) P-C4' energy: -71.511
flat angles C4'-P-C4' energy: -66.155
flat angles P-C4'-P energy: -43.840
tors. eta vs tors. theta energy: -54.945
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: 4, replica: 4
=====================================
Write number: 17
Temperature: 1.050000
Total energy: -660.146004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -660.146004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -660.146004 (E_RNA)
where:
Base-Base interactions energy: -379.612
where: short stacking energy: -186.494
Base-Backbone interact. energy: -1.719
local terms energy: -278.815267
where:
bonds (distance) C4'-P energy: -60.735
bonds (distance) P-C4' energy: -66.359
flat angles C4'-P-C4' energy: -67.821
flat angles P-C4'-P energy: -42.763
tors. eta vs tors. theta energy: -41.138
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 17
Temperature: 1.100000
Total energy: -414.706639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.706639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.706639 (E_RNA)
where:
Base-Base interactions energy: -170.251
where: short stacking energy: -127.110
Base-Backbone interact. energy: -0.324
local terms energy: -244.132259
where:
bonds (distance) C4'-P energy: -63.239
bonds (distance) P-C4' energy: -64.908
flat angles C4'-P-C4' energy: -56.001
flat angles P-C4'-P energy: -43.446
tors. eta vs tors. theta energy: -16.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 17
Temperature: 1.150000
Total energy: -372.759655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -372.759655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -372.759655 (E_RNA)
where:
Base-Base interactions energy: -161.035
where: short stacking energy: -125.256
Base-Backbone interact. energy: -0.338
local terms energy: -211.387166
where:
bonds (distance) C4'-P energy: -58.371
bonds (distance) P-C4' energy: -58.647
flat angles C4'-P-C4' energy: -60.358
flat angles P-C4'-P energy: -25.726
tors. eta vs tors. theta energy: -8.286
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 17
Temperature: 1.200000
Total energy: -358.176761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.176761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.176761 (E_RNA)
where:
Base-Base interactions energy: -175.289
where: short stacking energy: -122.025
Base-Backbone interact. energy: 0.801
local terms energy: -183.689083
where:
bonds (distance) C4'-P energy: -50.982
bonds (distance) P-C4' energy: -55.121
flat angles C4'-P-C4' energy: -40.518
flat angles P-C4'-P energy: -33.490
tors. eta vs tors. theta energy: -3.578
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 17
Temperature: 1.250000
Total energy: -322.403371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.403371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.403371 (E_RNA)
where:
Base-Base interactions energy: -115.168
where: short stacking energy: -79.427
Base-Backbone interact. energy: 3.955
local terms energy: -211.190423
where:
bonds (distance) C4'-P energy: -45.026
bonds (distance) P-C4' energy: -64.250
flat angles C4'-P-C4' energy: -51.900
flat angles P-C4'-P energy: -48.090
tors. eta vs tors. theta energy: -1.924
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 17
Temperature: 1.300000
Total energy: -322.381109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.381109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.381109 (E_RNA)
where:
Base-Base interactions energy: -129.675
where: short stacking energy: -97.497
Base-Backbone interact. energy: 0.407
local terms energy: -193.113456
where:
bonds (distance) C4'-P energy: -59.289
bonds (distance) P-C4' energy: -63.603
flat angles C4'-P-C4' energy: -52.851
flat angles P-C4'-P energy: -20.183
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: 10, replica: 10
=====================================
Write number: 17
Temperature: 1.350000
Total energy: -256.136976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.136976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.136976 (E_RNA)
where:
Base-Base interactions energy: -83.246
where: short stacking energy: -75.906
Base-Backbone interact. energy: -1.415
local terms energy: -171.476256
where:
bonds (distance) C4'-P energy: -44.518
bonds (distance) P-C4' energy: -60.211
flat angles C4'-P-C4' energy: -53.795
flat angles P-C4'-P energy: -23.129
tors. eta vs tors. theta energy: 10.177
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: 3
=====================================
Write number: 18
Temperature: 0.900000
Total energy: -862.815620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -862.815620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -862.815620 (E_RNA)
where:
Base-Base interactions energy: -533.191
where: short stacking energy: -277.204
Base-Backbone interact. energy: -1.929
local terms energy: -327.695552
where:
bonds (distance) C4'-P energy: -68.825
bonds (distance) P-C4' energy: -64.430
flat angles C4'-P-C4' energy: -82.506
flat angles P-C4'-P energy: -42.868
tors. eta vs tors. theta energy: -69.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 18
Temperature: 0.950000
Total energy: -801.682145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -801.682145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -801.682145 (E_RNA)
where:
Base-Base interactions energy: -486.324
where: short stacking energy: -247.121
Base-Backbone interact. energy: -2.775
local terms energy: -312.583166
where:
bonds (distance) C4'-P energy: -71.062
bonds (distance) P-C4' energy: -70.593
flat angles C4'-P-C4' energy: -65.592
flat angles P-C4'-P energy: -51.757
tors. eta vs tors. theta energy: -53.580
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: 2
=====================================
Write number: 18
Temperature: 1.000000
Total energy: -751.382209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -751.382209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -751.382209 (E_RNA)
where:
Base-Base interactions energy: -449.270
where: short stacking energy: -227.687
Base-Backbone interact. energy: 0.899
local terms energy: -303.010652
where:
bonds (distance) C4'-P energy: -52.143
bonds (distance) P-C4' energy: -82.544
flat angles C4'-P-C4' energy: -63.502
flat angles P-C4'-P energy: -44.956
tors. eta vs tors. theta energy: -59.865
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 18
Temperature: 1.050000
Total energy: -610.972426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -610.972426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -610.972426 (E_RNA)
where:
Base-Base interactions energy: -347.097
where: short stacking energy: -196.259
Base-Backbone interact. energy: -0.340
local terms energy: -263.535274
where:
bonds (distance) C4'-P energy: -64.093
bonds (distance) P-C4' energy: -68.875
flat angles C4'-P-C4' energy: -70.571
flat angles P-C4'-P energy: -24.476
tors. eta vs tors. theta energy: -35.520
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: 5, replica: 1
=====================================
Write number: 18
Temperature: 1.100000
Total energy: -443.135244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -443.135244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -443.135244 (E_RNA)
where:
Base-Base interactions energy: -205.228
where: short stacking energy: -132.214
Base-Backbone interact. energy: 0.707
local terms energy: -238.614705
where:
bonds (distance) C4'-P energy: -66.142
bonds (distance) P-C4' energy: -55.827
flat angles C4'-P-C4' energy: -63.896
flat angles P-C4'-P energy: -35.298
tors. eta vs tors. theta energy: -17.451
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 18
Temperature: 1.150000
Total energy: -359.288216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.288216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.288216 (E_RNA)
where:
Base-Base interactions energy: -125.931
where: short stacking energy: -97.987
Base-Backbone interact. energy: -2.054
local terms energy: -231.303455
where:
bonds (distance) C4'-P energy: -64.226
bonds (distance) P-C4' energy: -71.140
flat angles C4'-P-C4' energy: -53.020
flat angles P-C4'-P energy: -38.397
tors. eta vs tors. theta energy: -4.521
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 18
Temperature: 1.200000
Total energy: -363.926666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.926666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.926666 (E_RNA)
where:
Base-Base interactions energy: -153.865
where: short stacking energy: -113.312
Base-Backbone interact. energy: -0.863
local terms energy: -209.198398
where:
bonds (distance) C4'-P energy: -58.219
bonds (distance) P-C4' energy: -67.910
flat angles C4'-P-C4' energy: -54.574
flat angles P-C4'-P energy: -29.567
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: 8, replica: 6
=====================================
Write number: 18
Temperature: 1.250000
Total energy: -334.570335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.570335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.570335 (E_RNA)
where:
Base-Base interactions energy: -110.378
where: short stacking energy: -88.917
Base-Backbone interact. energy: -1.223
local terms energy: -222.969012
where:
bonds (distance) C4'-P energy: -61.415
bonds (distance) P-C4' energy: -58.120
flat angles C4'-P-C4' energy: -55.575
flat angles P-C4'-P energy: -38.207
tors. eta vs tors. theta energy: -9.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 18
Temperature: 1.300000
Total energy: -287.284835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.284835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.284835 (E_RNA)
where:
Base-Base interactions energy: -85.896
where: short stacking energy: -66.397
Base-Backbone interact. energy: 2.713
local terms energy: -204.101577
where:
bonds (distance) C4'-P energy: -54.298
bonds (distance) P-C4' energy: -69.470
flat angles C4'-P-C4' energy: -50.145
flat angles P-C4'-P energy: -36.193
tors. eta vs tors. theta energy: 6.004
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 18
Temperature: 1.350000
Total energy: -272.388545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.388545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.388545 (E_RNA)
where:
Base-Base interactions energy: -99.311
where: short stacking energy: -79.699
Base-Backbone interact. energy: -1.968
local terms energy: -171.109435
where:
bonds (distance) C4'-P energy: -58.141
bonds (distance) P-C4' energy: -57.052
flat angles C4'-P-C4' energy: -44.752
flat angles P-C4'-P energy: -23.637
tors. eta vs tors. theta energy: 12.473
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 19
Temperature: 0.900000
Total energy: -876.715980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -876.715980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -876.715980 (E_RNA)
where:
Base-Base interactions energy: -552.887
where: short stacking energy: -256.153
Base-Backbone interact. energy: -3.133
local terms energy: -320.696783
where:
bonds (distance) C4'-P energy: -70.956
bonds (distance) P-C4' energy: -79.016
flat angles C4'-P-C4' energy: -73.971
flat angles P-C4'-P energy: -37.284
tors. eta vs tors. theta energy: -59.470
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: 5
=====================================
Write number: 19
Temperature: 0.950000
Total energy: -820.471345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -820.471345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -820.471345 (E_RNA)
where:
Base-Base interactions energy: -499.625
where: short stacking energy: -250.973
Base-Backbone interact. energy: 1.468
local terms energy: -322.314814
where:
bonds (distance) C4'-P energy: -67.900
bonds (distance) P-C4' energy: -70.356
flat angles C4'-P-C4' energy: -74.208
flat angles P-C4'-P energy: -37.737
tors. eta vs tors. theta energy: -72.114
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: 2
=====================================
Write number: 19
Temperature: 1.000000
Total energy: -733.305075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -733.305075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -733.305075 (E_RNA)
where:
Base-Base interactions energy: -436.269
where: short stacking energy: -230.733
Base-Backbone interact. energy: 0.747
local terms energy: -297.783343
where:
bonds (distance) C4'-P energy: -66.690
bonds (distance) P-C4' energy: -66.579
flat angles C4'-P-C4' energy: -72.579
flat angles P-C4'-P energy: -32.971
tors. eta vs tors. theta energy: -58.964
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 19
Temperature: 1.050000
Total energy: -629.518978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -629.518978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -629.518978 (E_RNA)
where:
Base-Base interactions energy: -350.789
where: short stacking energy: -176.753
Base-Backbone interact. energy: -2.332
local terms energy: -276.398232
where:
bonds (distance) C4'-P energy: -65.130
bonds (distance) P-C4' energy: -64.141
flat angles C4'-P-C4' energy: -67.145
flat angles P-C4'-P energy: -39.313
tors. eta vs tors. theta energy: -40.670
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 19
Temperature: 1.100000
Total energy: -492.115198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.115198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.115198 (E_RNA)
where:
Base-Base interactions energy: -238.758
where: short stacking energy: -139.131
Base-Backbone interact. energy: -1.882
local terms energy: -251.475283
where:
bonds (distance) C4'-P energy: -72.111
bonds (distance) P-C4' energy: -61.039
flat angles C4'-P-C4' energy: -54.736
flat angles P-C4'-P energy: -40.296
tors. eta vs tors. theta energy: -23.293
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 19
Temperature: 1.150000
Total energy: -394.490123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -394.490123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -394.490123 (E_RNA)
where:
Base-Base interactions energy: -165.502
where: short stacking energy: -115.676
Base-Backbone interact. energy: 0.067
local terms energy: -229.055547
where:
bonds (distance) C4'-P energy: -49.828
bonds (distance) P-C4' energy: -61.225
flat angles C4'-P-C4' energy: -62.828
flat angles P-C4'-P energy: -37.108
tors. eta vs tors. theta energy: -18.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 19
Temperature: 1.200000
Total energy: -382.806909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -382.806909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -382.806909 (E_RNA)
where:
Base-Base interactions energy: -161.679
where: short stacking energy: -107.925
Base-Backbone interact. energy: 0.386
local terms energy: -221.514720
where:
bonds (distance) C4'-P energy: -63.289
bonds (distance) P-C4' energy: -65.553
flat angles C4'-P-C4' energy: -49.667
flat angles P-C4'-P energy: -36.269
tors. eta vs tors. theta energy: -6.738
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 19
Temperature: 1.250000
Total energy: -348.616631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.616631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.616631 (E_RNA)
where:
Base-Base interactions energy: -144.389
where: short stacking energy: -97.524
Base-Backbone interact. energy: -0.575
local terms energy: -203.653388
where:
bonds (distance) C4'-P energy: -55.202
bonds (distance) P-C4' energy: -64.537
flat angles C4'-P-C4' energy: -61.977
flat angles P-C4'-P energy: -27.660
tors. eta vs tors. theta energy: 5.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 19
Temperature: 1.300000
Total energy: -295.419114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.419114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.419114 (E_RNA)
where:
Base-Base interactions energy: -85.578
where: short stacking energy: -77.571
Base-Backbone interact. energy: 1.567
local terms energy: -211.407985
where:
bonds (distance) C4'-P energy: -73.135
bonds (distance) P-C4' energy: -66.017
flat angles C4'-P-C4' energy: -54.369
flat angles P-C4'-P energy: -37.291
tors. eta vs tors. theta energy: 19.404
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 19
Temperature: 1.350000
Total energy: -281.284619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.284619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.284619 (E_RNA)
where:
Base-Base interactions energy: -83.648
where: short stacking energy: -74.937
Base-Backbone interact. energy: 2.527
local terms energy: -200.163733
where:
bonds (distance) C4'-P energy: -69.227
bonds (distance) P-C4' energy: -62.907
flat angles C4'-P-C4' energy: -46.245
flat angles P-C4'-P energy: -28.643
tors. eta vs tors. theta energy: 6.858
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: 20
Temperature: 0.900000
Total energy: -878.342218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -878.342218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -878.342218 (E_RNA)
where:
Base-Base interactions energy: -567.008
where: short stacking energy: -272.939
Base-Backbone interact. energy: -1.471
local terms energy: -309.862524
where:
bonds (distance) C4'-P energy: -67.035
bonds (distance) P-C4' energy: -72.381
flat angles C4'-P-C4' energy: -66.987
flat angles P-C4'-P energy: -40.766
tors. eta vs tors. theta energy: -62.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 20
Temperature: 0.950000
Total energy: -772.723021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -772.723021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -772.723021 (E_RNA)
where:
Base-Base interactions energy: -461.910
where: short stacking energy: -231.308
Base-Backbone interact. energy: 1.034
local terms energy: -311.846631
where:
bonds (distance) C4'-P energy: -65.740
bonds (distance) P-C4' energy: -76.638
flat angles C4'-P-C4' energy: -67.682
flat angles P-C4'-P energy: -48.005
tors. eta vs tors. theta energy: -53.783
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 20
Temperature: 1.000000
Total energy: -724.209031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -724.209031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -724.209031 (E_RNA)
where:
Base-Base interactions energy: -427.976
where: short stacking energy: -189.728
Base-Backbone interact. energy: -2.197
local terms energy: -294.035751
where:
bonds (distance) C4'-P energy: -64.487
bonds (distance) P-C4' energy: -73.418
flat angles C4'-P-C4' energy: -66.096
flat angles P-C4'-P energy: -40.746
tors. eta vs tors. theta energy: -49.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 20
Temperature: 1.050000
Total energy: -650.401022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -650.401022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -650.401022 (E_RNA)
where:
Base-Base interactions energy: -365.124
where: short stacking energy: -177.614
Base-Backbone interact. energy: 0.025
local terms energy: -285.301950
where:
bonds (distance) C4'-P energy: -65.569
bonds (distance) P-C4' energy: -62.668
flat angles C4'-P-C4' energy: -71.470
flat angles P-C4'-P energy: -41.509
tors. eta vs tors. theta energy: -44.086
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: 1
=====================================
Write number: 20
Temperature: 1.100000
Total energy: -537.115500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.115500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.115500 (E_RNA)
where:
Base-Base interactions energy: -287.228
where: short stacking energy: -163.877
Base-Backbone interact. energy: -0.614
local terms energy: -249.274400
where:
bonds (distance) C4'-P energy: -63.155
bonds (distance) P-C4' energy: -66.901
flat angles C4'-P-C4' energy: -54.678
flat angles P-C4'-P energy: -28.804
tors. eta vs tors. theta energy: -35.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 20
Temperature: 1.150000
Total energy: -357.858692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.858692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.858692 (E_RNA)
where:
Base-Base interactions energy: -140.809
where: short stacking energy: -119.760
Base-Backbone interact. energy: -3.010
local terms energy: -214.040029
where:
bonds (distance) C4'-P energy: -61.806
bonds (distance) P-C4' energy: -67.046
flat angles C4'-P-C4' energy: -48.446
flat angles P-C4'-P energy: -33.469
tors. eta vs tors. theta energy: -3.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 20
Temperature: 1.200000
Total energy: -371.524233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.524233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.524233 (E_RNA)
where:
Base-Base interactions energy: -135.107
where: short stacking energy: -92.518
Base-Backbone interact. energy: -2.232
local terms energy: -234.184646
where:
bonds (distance) C4'-P energy: -57.942
bonds (distance) P-C4' energy: -57.542
flat angles C4'-P-C4' energy: -62.673
flat angles P-C4'-P energy: -47.050
tors. eta vs tors. theta energy: -8.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 20
Temperature: 1.250000
Total energy: -367.813501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.813501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.813501 (E_RNA)
where:
Base-Base interactions energy: -164.305
where: short stacking energy: -114.822
Base-Backbone interact. energy: 0.647
local terms energy: -204.155412
where:
bonds (distance) C4'-P energy: -64.088
bonds (distance) P-C4' energy: -60.386
flat angles C4'-P-C4' energy: -52.777
flat angles P-C4'-P energy: -29.130
tors. eta vs tors. theta energy: 2.225
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: 20
Temperature: 1.300000
Total energy: -308.794551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.794551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.794551 (E_RNA)
where:
Base-Base interactions energy: -97.245
where: short stacking energy: -77.331
Base-Backbone interact. energy: -0.280
local terms energy: -211.269577
where:
bonds (distance) C4'-P energy: -65.274
bonds (distance) P-C4' energy: -62.893
flat angles C4'-P-C4' energy: -49.968
flat angles P-C4'-P energy: -44.546
tors. eta vs tors. theta energy: 11.412
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 20
Temperature: 1.350000
Total energy: -285.512549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.512549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.512549 (E_RNA)
where:
Base-Base interactions energy: -86.852
where: short stacking energy: -61.827
Base-Backbone interact. energy: -0.724
local terms energy: -197.936436
where:
bonds (distance) C4'-P energy: -61.853
bonds (distance) P-C4' energy: -68.871
flat angles C4'-P-C4' energy: -56.239
flat angles P-C4'-P energy: -28.536
tors. eta vs tors. theta energy: 17.563
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: 21
Temperature: 0.900000
Total energy: -840.355357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -840.355357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -840.355357 (E_RNA)
where:
Base-Base interactions energy: -519.078
where: short stacking energy: -248.638
Base-Backbone interact. energy: -0.079
local terms energy: -321.198428
where:
bonds (distance) C4'-P energy: -71.387
bonds (distance) P-C4' energy: -75.310
flat angles C4'-P-C4' energy: -70.100
flat angles P-C4'-P energy: -44.187
tors. eta vs tors. theta energy: -60.213
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: 5
=====================================
Write number: 21
Temperature: 0.950000
Total energy: -764.248417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -764.248417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -764.248417 (E_RNA)
where:
Base-Base interactions energy: -455.941
where: short stacking energy: -238.508
Base-Backbone interact. energy: -1.886
local terms energy: -306.421821
where:
bonds (distance) C4'-P energy: -56.126
bonds (distance) P-C4' energy: -75.781
flat angles C4'-P-C4' energy: -74.085
flat angles P-C4'-P energy: -46.919
tors. eta vs tors. theta energy: -53.510
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: 2
=====================================
Write number: 21
Temperature: 1.000000
Total energy: -773.387791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -773.387791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -773.387791 (E_RNA)
where:
Base-Base interactions energy: -452.549
where: short stacking energy: -234.840
Base-Backbone interact. energy: 0.279
local terms energy: -321.117816
where:
bonds (distance) C4'-P energy: -65.102
bonds (distance) P-C4' energy: -72.544
flat angles C4'-P-C4' energy: -70.042
flat angles P-C4'-P energy: -41.641
tors. eta vs tors. theta energy: -71.789
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: 21
Temperature: 1.050000
Total energy: -718.616336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -718.616336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -718.616336 (E_RNA)
where:
Base-Base interactions energy: -429.812
where: short stacking energy: -215.644
Base-Backbone interact. energy: -0.142
local terms energy: -288.662262
where:
bonds (distance) C4'-P energy: -61.836
bonds (distance) P-C4' energy: -64.985
flat angles C4'-P-C4' energy: -64.657
flat angles P-C4'-P energy: -38.561
tors. eta vs tors. theta energy: -58.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 21
Temperature: 1.100000
Total energy: -506.520317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.520317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.520317 (E_RNA)
where:
Base-Base interactions energy: -251.316
where: short stacking energy: -139.390
Base-Backbone interact. energy: -0.228
local terms energy: -254.976879
where:
bonds (distance) C4'-P energy: -64.714
bonds (distance) P-C4' energy: -63.189
flat angles C4'-P-C4' energy: -64.177
flat angles P-C4'-P energy: -36.952
tors. eta vs tors. theta energy: -25.945
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: 21
Temperature: 1.150000
Total energy: -376.867818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -376.867818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -376.867818 (E_RNA)
where:
Base-Base interactions energy: -134.122
where: short stacking energy: -96.285
Base-Backbone interact. energy: 0.998
local terms energy: -243.743489
where:
bonds (distance) C4'-P energy: -69.562
bonds (distance) P-C4' energy: -74.828
flat angles C4'-P-C4' energy: -55.970
flat angles P-C4'-P energy: -35.034
tors. eta vs tors. theta energy: -8.349
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 21
Temperature: 1.200000
Total energy: -345.375674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.375674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.375674 (E_RNA)
where:
Base-Base interactions energy: -126.810
where: short stacking energy: -81.138
Base-Backbone interact. energy: -0.722
local terms energy: -217.843506
where:
bonds (distance) C4'-P energy: -65.595
bonds (distance) P-C4' energy: -71.402
flat angles C4'-P-C4' energy: -55.592
flat angles P-C4'-P energy: -25.827
tors. eta vs tors. theta energy: 0.573
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: 21
Temperature: 1.250000
Total energy: -334.903314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.903314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.903314 (E_RNA)
where:
Base-Base interactions energy: -100.907
where: short stacking energy: -56.405
Base-Backbone interact. energy: 2.136
local terms energy: -236.132178
where:
bonds (distance) C4'-P energy: -67.103
bonds (distance) P-C4' energy: -70.051
flat angles C4'-P-C4' energy: -52.142
flat angles P-C4'-P energy: -46.233
tors. eta vs tors. theta energy: -0.603
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 21
Temperature: 1.300000
Total energy: -336.491819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.491819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.491819 (E_RNA)
where:
Base-Base interactions energy: -147.710
where: short stacking energy: -104.382
Base-Backbone interact. energy: 1.868
local terms energy: -190.650534
where:
bonds (distance) C4'-P energy: -50.027
bonds (distance) P-C4' energy: -53.701
flat angles C4'-P-C4' energy: -52.079
flat angles P-C4'-P energy: -29.740
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: 10, replica: 6
=====================================
Write number: 21
Temperature: 1.350000
Total energy: -267.972475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.972475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.972475 (E_RNA)
where:
Base-Base interactions energy: -84.897
where: short stacking energy: -79.218
Base-Backbone interact. energy: 7.181
local terms energy: -190.256085
where:
bonds (distance) C4'-P energy: -52.724
bonds (distance) P-C4' energy: -54.090
flat angles C4'-P-C4' energy: -51.205
flat angles P-C4'-P energy: -43.769
tors. eta vs tors. theta energy: 11.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 22
Temperature: 0.900000
Total energy: -855.863367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -855.863367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -855.863367 (E_RNA)
where:
Base-Base interactions energy: -528.028
where: short stacking energy: -284.532
Base-Backbone interact. energy: -1.483
local terms energy: -326.353097
where:
bonds (distance) C4'-P energy: -71.104
bonds (distance) P-C4' energy: -59.750
flat angles C4'-P-C4' energy: -70.503
flat angles P-C4'-P energy: -53.598
tors. eta vs tors. theta energy: -71.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 22
Temperature: 0.950000
Total energy: -820.231292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -820.231292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -820.231292 (E_RNA)
where:
Base-Base interactions energy: -508.592
where: short stacking energy: -271.436
Base-Backbone interact. energy: -0.914
local terms energy: -310.724979
where:
bonds (distance) C4'-P energy: -63.736
bonds (distance) P-C4' energy: -66.334
flat angles C4'-P-C4' energy: -70.515
flat angles P-C4'-P energy: -40.682
tors. eta vs tors. theta energy: -69.457
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: 22
Temperature: 1.000000
Total energy: -736.873337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -736.873337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -736.873337 (E_RNA)
where:
Base-Base interactions energy: -441.082
where: short stacking energy: -236.275
Base-Backbone interact. energy: 0.451
local terms energy: -296.242178
where:
bonds (distance) C4'-P energy: -64.723
bonds (distance) P-C4' energy: -66.991
flat angles C4'-P-C4' energy: -63.166
flat angles P-C4'-P energy: -46.909
tors. eta vs tors. theta energy: -54.452
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 22
Temperature: 1.050000
Total energy: -722.479391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -722.479391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -722.479391 (E_RNA)
where:
Base-Base interactions energy: -432.272
where: short stacking energy: -215.553
Base-Backbone interact. energy: -0.804
local terms energy: -289.403338
where:
bonds (distance) C4'-P energy: -54.083
bonds (distance) P-C4' energy: -62.233
flat angles C4'-P-C4' energy: -71.103
flat angles P-C4'-P energy: -49.799
tors. eta vs tors. theta energy: -52.187
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: 1
=====================================
Write number: 22
Temperature: 1.100000
Total energy: -508.629777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -508.629777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.629777 (E_RNA)
where:
Base-Base interactions energy: -265.683
where: short stacking energy: -137.435
Base-Backbone interact. energy: -1.215
local terms energy: -241.732176
where:
bonds (distance) C4'-P energy: -63.211
bonds (distance) P-C4' energy: -67.692
flat angles C4'-P-C4' energy: -62.675
flat angles P-C4'-P energy: -26.716
tors. eta vs tors. theta energy: -21.438
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: 6, replica: 9
=====================================
Write number: 22
Temperature: 1.150000
Total energy: -359.084445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.084445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.084445 (E_RNA)
where:
Base-Base interactions energy: -115.868
where: short stacking energy: -89.954
Base-Backbone interact. energy: 2.076
local terms energy: -245.291777
where:
bonds (distance) C4'-P energy: -71.243
bonds (distance) P-C4' energy: -70.501
flat angles C4'-P-C4' energy: -58.125
flat angles P-C4'-P energy: -42.969
tors. eta vs tors. theta energy: -2.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 22
Temperature: 1.200000
Total energy: -368.071709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.071709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.071709 (E_RNA)
where:
Base-Base interactions energy: -147.596
where: short stacking energy: -95.919
Base-Backbone interact. energy: 5.231
local terms energy: -225.706842
where:
bonds (distance) C4'-P energy: -72.131
bonds (distance) P-C4' energy: -60.284
flat angles C4'-P-C4' energy: -43.771
flat angles P-C4'-P energy: -40.956
tors. eta vs tors. theta energy: -8.566
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 22
Temperature: 1.250000
Total energy: -304.397318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.397318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.397318 (E_RNA)
where:
Base-Base interactions energy: -99.389
where: short stacking energy: -90.322
Base-Backbone interact. energy: 1.026
local terms energy: -206.035290
where:
bonds (distance) C4'-P energy: -53.381
bonds (distance) P-C4' energy: -60.126
flat angles C4'-P-C4' energy: -61.853
flat angles P-C4'-P energy: -34.660
tors. eta vs tors. theta energy: 3.984
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: 9, replica: 6
=====================================
Write number: 22
Temperature: 1.300000
Total energy: -304.070381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.070381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.070381 (E_RNA)
where:
Base-Base interactions energy: -118.572
where: short stacking energy: -82.617
Base-Backbone interact. energy: -0.352
local terms energy: -185.146494
where:
bonds (distance) C4'-P energy: -60.011
bonds (distance) P-C4' energy: -59.247
flat angles C4'-P-C4' energy: -53.979
flat angles P-C4'-P energy: -13.129
tors. eta vs tors. theta energy: 1.220
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: 10, replica: 8
=====================================
Write number: 22
Temperature: 1.350000
Total energy: -287.685156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.685156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.685156 (E_RNA)
where:
Base-Base interactions energy: -94.496
where: short stacking energy: -76.408
Base-Backbone interact. energy: -0.833
local terms energy: -192.356169
where:
bonds (distance) C4'-P energy: -54.324
bonds (distance) P-C4' energy: -61.122
flat angles C4'-P-C4' energy: -41.920
flat angles P-C4'-P energy: -37.694
tors. eta vs tors. theta energy: 2.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 23
Temperature: 0.900000
Total energy: -886.154947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -886.154947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -886.154947 (E_RNA)
where:
Base-Base interactions energy: -561.933
where: short stacking energy: -267.022
Base-Backbone interact. energy: -0.303
local terms energy: -323.918185
where:
bonds (distance) C4'-P energy: -70.165
bonds (distance) P-C4' energy: -68.929
flat angles C4'-P-C4' energy: -64.389
flat angles P-C4'-P energy: -54.837
tors. eta vs tors. theta energy: -65.598
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: 5
=====================================
Write number: 23
Temperature: 0.950000
Total energy: -817.216130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -817.216130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -817.216130 (E_RNA)
where:
Base-Base interactions energy: -507.169
where: short stacking energy: -251.619
Base-Backbone interact. energy: -2.219
local terms energy: -307.828251
where:
bonds (distance) C4'-P energy: -69.531
bonds (distance) P-C4' energy: -66.639
flat angles C4'-P-C4' energy: -63.460
flat angles P-C4'-P energy: -44.446
tors. eta vs tors. theta energy: -63.752
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: 2
=====================================
Write number: 23
Temperature: 1.000000
Total energy: -727.082493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -727.082493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -727.082493 (E_RNA)
where:
Base-Base interactions energy: -438.877
where: short stacking energy: -196.491
Base-Backbone interact. energy: 0.981
local terms energy: -289.186958
where:
bonds (distance) C4'-P energy: -70.303
bonds (distance) P-C4' energy: -71.268
flat angles C4'-P-C4' energy: -58.550
flat angles P-C4'-P energy: -46.183
tors. eta vs tors. theta energy: -42.884
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: 4
=====================================
Write number: 23
Temperature: 1.050000
Total energy: -684.057467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -684.057467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -684.057467 (E_RNA)
where:
Base-Base interactions energy: -384.175
where: short stacking energy: -211.179
Base-Backbone interact. energy: 0.968
local terms energy: -300.849566
where:
bonds (distance) C4'-P energy: -55.358
bonds (distance) P-C4' energy: -60.933
flat angles C4'-P-C4' energy: -81.821
flat angles P-C4'-P energy: -43.460
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: 5, replica: 1
=====================================
Write number: 23
Temperature: 1.100000
Total energy: -505.693384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.693384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.693384 (E_RNA)
where:
Base-Base interactions energy: -235.041
where: short stacking energy: -148.751
Base-Backbone interact. energy: -1.210
local terms energy: -269.443132
where:
bonds (distance) C4'-P energy: -71.377
bonds (distance) P-C4' energy: -64.550
flat angles C4'-P-C4' energy: -67.899
flat angles P-C4'-P energy: -39.117
tors. eta vs tors. theta energy: -26.499
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: 10
=====================================
Write number: 23
Temperature: 1.150000
Total energy: -375.198020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -375.198020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -375.198020 (E_RNA)
where:
Base-Base interactions energy: -142.652
where: short stacking energy: -87.227
Base-Backbone interact. energy: -0.642
local terms energy: -231.904669
where:
bonds (distance) C4'-P energy: -62.153
bonds (distance) P-C4' energy: -69.696
flat angles C4'-P-C4' energy: -57.068
flat angles P-C4'-P energy: -43.541
tors. eta vs tors. theta energy: 0.553
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 23
Temperature: 1.200000
Total energy: -331.747454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.747454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.747454 (E_RNA)
where:
Base-Base interactions energy: -129.569
where: short stacking energy: -97.056
Base-Backbone interact. energy: -1.117
local terms energy: -201.061528
where:
bonds (distance) C4'-P energy: -54.093
bonds (distance) P-C4' energy: -56.969
flat angles C4'-P-C4' energy: -48.781
flat angles P-C4'-P energy: -34.938
tors. eta vs tors. theta energy: -6.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 23
Temperature: 1.250000
Total energy: -349.792015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.792015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.792015 (E_RNA)
where:
Base-Base interactions energy: -130.539
where: short stacking energy: -91.216
Base-Backbone interact. energy: 0.532
local terms energy: -219.785067
where:
bonds (distance) C4'-P energy: -59.880
bonds (distance) P-C4' energy: -69.003
flat angles C4'-P-C4' energy: -63.068
flat angles P-C4'-P energy: -32.924
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: 9, replica: 7
=====================================
Write number: 23
Temperature: 1.300000
Total energy: -294.874747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.874747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.874747 (E_RNA)
where:
Base-Base interactions energy: -110.755
where: short stacking energy: -87.694
Base-Backbone interact. energy: -0.456
local terms energy: -183.663979
where:
bonds (distance) C4'-P energy: -53.546
bonds (distance) P-C4' energy: -57.109
flat angles C4'-P-C4' energy: -48.350
flat angles P-C4'-P energy: -25.017
tors. eta vs tors. theta energy: 0.357
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: 10, replica: 8
=====================================
Write number: 23
Temperature: 1.350000
Total energy: -296.788591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.788591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.788591 (E_RNA)
where:
Base-Base interactions energy: -92.956
where: short stacking energy: -77.325
Base-Backbone interact. energy: 0.139
local terms energy: -203.971054
where:
bonds (distance) C4'-P energy: -61.480
bonds (distance) P-C4' energy: -64.311
flat angles C4'-P-C4' energy: -49.851
flat angles P-C4'-P energy: -37.303
tors. eta vs tors. theta energy: 8.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 24
Temperature: 0.900000
Total energy: -850.830089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -850.830089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -850.830089 (E_RNA)
where:
Base-Base interactions energy: -530.459
where: short stacking energy: -244.758
Base-Backbone interact. energy: -1.361
local terms energy: -319.009867
where:
bonds (distance) C4'-P energy: -71.958
bonds (distance) P-C4' energy: -68.897
flat angles C4'-P-C4' energy: -75.302
flat angles P-C4'-P energy: -43.268
tors. eta vs tors. theta energy: -59.585
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: 5
=====================================
Write number: 24
Temperature: 0.950000
Total energy: -830.629068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -830.629068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -830.629068 (E_RNA)
where:
Base-Base interactions energy: -500.853
where: short stacking energy: -261.832
Base-Backbone interact. energy: -2.245
local terms energy: -327.531078
where:
bonds (distance) C4'-P energy: -64.718
bonds (distance) P-C4' energy: -67.979
flat angles C4'-P-C4' energy: -82.003
flat angles P-C4'-P energy: -42.264
tors. eta vs tors. theta energy: -70.566
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 24
Temperature: 1.000000
Total energy: -757.310578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -757.310578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -757.310578 (E_RNA)
where:
Base-Base interactions energy: -468.727
where: short stacking energy: -232.668
Base-Backbone interact. energy: 0.285
local terms energy: -288.868657
where:
bonds (distance) C4'-P energy: -62.410
bonds (distance) P-C4' energy: -54.353
flat angles C4'-P-C4' energy: -65.738
flat angles P-C4'-P energy: -42.301
tors. eta vs tors. theta energy: -64.067
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 24
Temperature: 1.050000
Total energy: -705.522190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -705.522190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -705.522190 (E_RNA)
where:
Base-Base interactions energy: -423.048
where: short stacking energy: -230.866
Base-Backbone interact. energy: -0.513
local terms energy: -281.961072
where:
bonds (distance) C4'-P energy: -59.536
bonds (distance) P-C4' energy: -56.901
flat angles C4'-P-C4' energy: -58.878
flat angles P-C4'-P energy: -45.539
tors. eta vs tors. theta energy: -61.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 24
Temperature: 1.100000
Total energy: -500.205778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.205778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.205778 (E_RNA)
where:
Base-Base interactions energy: -235.079
where: short stacking energy: -121.563
Base-Backbone interact. energy: -1.840
local terms energy: -263.286542
where:
bonds (distance) C4'-P energy: -68.498
bonds (distance) P-C4' energy: -72.844
flat angles C4'-P-C4' energy: -60.413
flat angles P-C4'-P energy: -42.852
tors. eta vs tors. theta energy: -18.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 24
Temperature: 1.150000
Total energy: -404.220995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -404.220995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -404.220995 (E_RNA)
where:
Base-Base interactions energy: -169.670
where: short stacking energy: -118.785
Base-Backbone interact. energy: -2.411
local terms energy: -232.140047
where:
bonds (distance) C4'-P energy: -64.576
bonds (distance) P-C4' energy: -67.507
flat angles C4'-P-C4' energy: -58.462
flat angles P-C4'-P energy: -32.959
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: 7, replica: 9
=====================================
Write number: 24
Temperature: 1.200000
Total energy: -353.709605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.709605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.709605 (E_RNA)
where:
Base-Base interactions energy: -125.942
where: short stacking energy: -101.635
Base-Backbone interact. energy: -0.930
local terms energy: -226.838016
where:
bonds (distance) C4'-P energy: -52.310
bonds (distance) P-C4' energy: -67.694
flat angles C4'-P-C4' energy: -70.212
flat angles P-C4'-P energy: -24.570
tors. eta vs tors. theta energy: -12.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 24
Temperature: 1.250000
Total energy: -339.543218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.543218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.543218 (E_RNA)
where:
Base-Base interactions energy: -157.346
where: short stacking energy: -90.779
Base-Backbone interact. energy: 0.602
local terms energy: -182.799180
where:
bonds (distance) C4'-P energy: -52.407
bonds (distance) P-C4' energy: -60.978
flat angles C4'-P-C4' energy: -53.300
flat angles P-C4'-P energy: -21.595
tors. eta vs tors. theta energy: 5.482
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: 8
=====================================
Write number: 24
Temperature: 1.300000
Total energy: -283.528056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.528056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.528056 (E_RNA)
where:
Base-Base interactions energy: -102.747
where: short stacking energy: -95.589
Base-Backbone interact. energy: -1.629
local terms energy: -179.152056
where:
bonds (distance) C4'-P energy: -43.780
bonds (distance) P-C4' energy: -57.016
flat angles C4'-P-C4' energy: -52.078
flat angles P-C4'-P energy: -31.564
tors. eta vs tors. theta energy: 5.285
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: 7
=====================================
Write number: 24
Temperature: 1.350000
Total energy: -270.621174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.621174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.621174 (E_RNA)
where:
Base-Base interactions energy: -96.663
where: short stacking energy: -67.386
Base-Backbone interact. energy: -2.775
local terms energy: -171.183638
where:
bonds (distance) C4'-P energy: -59.015
bonds (distance) P-C4' energy: -77.877
flat angles C4'-P-C4' energy: -49.063
flat angles P-C4'-P energy: -8.248
tors. eta vs tors. theta energy: 23.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 25
Temperature: 0.900000
Total energy: -876.872945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -876.872945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -876.872945 (E_RNA)
where:
Base-Base interactions energy: -552.063
where: short stacking energy: -251.309
Base-Backbone interact. energy: -2.178
local terms energy: -322.632060
where:
bonds (distance) C4'-P energy: -68.780
bonds (distance) P-C4' energy: -75.390
flat angles C4'-P-C4' energy: -70.208
flat angles P-C4'-P energy: -42.249
tors. eta vs tors. theta energy: -66.005
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: 5
=====================================
Write number: 25
Temperature: 0.950000
Total energy: -853.603231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -853.603231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -853.603231 (E_RNA)
where:
Base-Base interactions energy: -526.740
where: short stacking energy: -264.573
Base-Backbone interact. energy: -2.648
local terms energy: -324.215350
where:
bonds (distance) C4'-P energy: -65.544
bonds (distance) P-C4' energy: -73.782
flat angles C4'-P-C4' energy: -65.942
flat angles P-C4'-P energy: -42.494
tors. eta vs tors. theta energy: -76.453
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: 2
=====================================
Write number: 25
Temperature: 1.000000
Total energy: -767.485725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -767.485725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -767.485725 (E_RNA)
where:
Base-Base interactions energy: -482.302
where: short stacking energy: -227.654
Base-Backbone interact. energy: 5.312
local terms energy: -290.495202
where:
bonds (distance) C4'-P energy: -64.741
bonds (distance) P-C4' energy: -58.356
flat angles C4'-P-C4' energy: -68.572
flat angles P-C4'-P energy: -37.115
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: 4, replica: 4
=====================================
Write number: 25
Temperature: 1.050000
Total energy: -671.867357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -671.867357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -671.867357 (E_RNA)
where:
Base-Base interactions energy: -377.985
where: short stacking energy: -203.823
Base-Backbone interact. energy: -1.351
local terms energy: -292.531132
where:
bonds (distance) C4'-P energy: -68.063
bonds (distance) P-C4' energy: -63.715
flat angles C4'-P-C4' energy: -70.725
flat angles P-C4'-P energy: -42.589
tors. eta vs tors. theta energy: -47.438
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: 1
=====================================
Write number: 25
Temperature: 1.100000
Total energy: -498.581645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.581645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.581645 (E_RNA)
where:
Base-Base interactions energy: -266.274
where: short stacking energy: -149.416
Base-Backbone interact. energy: 1.122
local terms energy: -233.429959
where:
bonds (distance) C4'-P energy: -69.711
bonds (distance) P-C4' energy: -54.825
flat angles C4'-P-C4' energy: -57.895
flat angles P-C4'-P energy: -33.779
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: 6, replica: 9
=====================================
Write number: 25
Temperature: 1.150000
Total energy: -373.300414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.300414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.300414 (E_RNA)
where:
Base-Base interactions energy: -144.864
where: short stacking energy: -118.710
Base-Backbone interact. energy: -0.542
local terms energy: -227.894858
where:
bonds (distance) C4'-P energy: -67.358
bonds (distance) P-C4' energy: -62.130
flat angles C4'-P-C4' energy: -51.257
flat angles P-C4'-P energy: -30.122
tors. eta vs tors. theta energy: -17.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 25
Temperature: 1.200000
Total energy: -357.143994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.143994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.143994 (E_RNA)
where:
Base-Base interactions energy: -152.047
where: short stacking energy: -117.602
Base-Backbone interact. energy: 3.398
local terms energy: -208.494262
where:
bonds (distance) C4'-P energy: -59.019
bonds (distance) P-C4' energy: -61.029
flat angles C4'-P-C4' energy: -42.174
flat angles P-C4'-P energy: -29.320
tors. eta vs tors. theta energy: -16.952
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: 8
=====================================
Write number: 25
Temperature: 1.250000
Total energy: -358.200539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.200539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.200539 (E_RNA)
where:
Base-Base interactions energy: -152.980
where: short stacking energy: -102.149
Base-Backbone interact. energy: 1.528
local terms energy: -206.748884
where:
bonds (distance) C4'-P energy: -54.172
bonds (distance) P-C4' energy: -60.341
flat angles C4'-P-C4' energy: -56.034
flat angles P-C4'-P energy: -31.875
tors. eta vs tors. theta energy: -4.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 25
Temperature: 1.300000
Total energy: -306.659399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.659399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.659399 (E_RNA)
where:
Base-Base interactions energy: -109.477
where: short stacking energy: -71.425
Base-Backbone interact. energy: 0.038
local terms energy: -197.219991
where:
bonds (distance) C4'-P energy: -62.912
bonds (distance) P-C4' energy: -62.143
flat angles C4'-P-C4' energy: -59.245
flat angles P-C4'-P energy: -25.411
tors. eta vs tors. theta energy: 12.491
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 25
Temperature: 1.350000
Total energy: -278.596052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.596052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.596052 (E_RNA)
where:
Base-Base interactions energy: -102.106
where: short stacking energy: -51.582
Base-Backbone interact. energy: 8.677
local terms energy: -185.166300
where:
bonds (distance) C4'-P energy: -50.070
bonds (distance) P-C4' energy: -68.432
flat angles C4'-P-C4' energy: -42.760
flat angles P-C4'-P energy: -31.449
tors. eta vs tors. theta energy: 7.545
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: 26
Temperature: 0.900000
Total energy: -880.458080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -880.458080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -880.458080 (E_RNA)
where:
Base-Base interactions energy: -561.337
where: short stacking energy: -266.359
Base-Backbone interact. energy: -1.479
local terms energy: -317.641546
where:
bonds (distance) C4'-P energy: -78.204
bonds (distance) P-C4' energy: -61.912
flat angles C4'-P-C4' energy: -72.809
flat angles P-C4'-P energy: -35.928
tors. eta vs tors. theta energy: -68.788
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: 5
=====================================
Write number: 26
Temperature: 0.950000
Total energy: -870.833559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -870.833559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -870.833559 (E_RNA)
where:
Base-Base interactions energy: -524.236
where: short stacking energy: -270.858
Base-Backbone interact. energy: -1.465
local terms energy: -345.133519
where:
bonds (distance) C4'-P energy: -77.718
bonds (distance) P-C4' energy: -78.793
flat angles C4'-P-C4' energy: -71.767
flat angles P-C4'-P energy: -37.821
tors. eta vs tors. theta energy: -79.035
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: 2
=====================================
Write number: 26
Temperature: 1.000000
Total energy: -757.966031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -757.966031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -757.966031 (E_RNA)
where:
Base-Base interactions energy: -453.672
where: short stacking energy: -211.422
Base-Backbone interact. energy: -0.426
local terms energy: -303.867816
where:
bonds (distance) C4'-P energy: -67.004
bonds (distance) P-C4' energy: -69.567
flat angles C4'-P-C4' energy: -64.396
flat angles P-C4'-P energy: -42.595
tors. eta vs tors. theta energy: -60.306
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 26
Temperature: 1.050000
Total energy: -666.822225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -666.822225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -666.822225 (E_RNA)
where:
Base-Base interactions energy: -397.627
where: short stacking energy: -184.656
Base-Backbone interact. energy: -0.989
local terms energy: -268.206632
where:
bonds (distance) C4'-P energy: -59.625
bonds (distance) P-C4' energy: -60.188
flat angles C4'-P-C4' energy: -60.908
flat angles P-C4'-P energy: -37.798
tors. eta vs tors. theta energy: -49.687
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 26
Temperature: 1.100000
Total energy: -565.887269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -565.887269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -565.887269 (E_RNA)
where:
Base-Base interactions energy: -322.291
where: short stacking energy: -163.844
Base-Backbone interact. energy: -1.203
local terms energy: -242.393156
where:
bonds (distance) C4'-P energy: -70.065
bonds (distance) P-C4' energy: -53.191
flat angles C4'-P-C4' energy: -57.016
flat angles P-C4'-P energy: -29.688
tors. eta vs tors. theta energy: -32.434
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 26
Temperature: 1.150000
Total energy: -375.669663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -375.669663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -375.669663 (E_RNA)
where:
Base-Base interactions energy: -155.741
where: short stacking energy: -89.665
Base-Backbone interact. energy: -1.683
local terms energy: -218.245555
where:
bonds (distance) C4'-P energy: -46.658
bonds (distance) P-C4' energy: -78.212
flat angles C4'-P-C4' energy: -57.359
flat angles P-C4'-P energy: -33.510
tors. eta vs tors. theta energy: -2.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 26
Temperature: 1.200000
Total energy: -401.408795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -401.408795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -401.408795 (E_RNA)
where:
Base-Base interactions energy: -175.629
where: short stacking energy: -115.261
Base-Backbone interact. energy: 0.651
local terms energy: -226.430695
where:
bonds (distance) C4'-P energy: -52.366
bonds (distance) P-C4' energy: -69.247
flat angles C4'-P-C4' energy: -50.538
flat angles P-C4'-P energy: -34.597
tors. eta vs tors. theta energy: -19.683
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 26
Temperature: 1.250000
Total energy: -319.867757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.867757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.867757 (E_RNA)
where:
Base-Base interactions energy: -109.400
where: short stacking energy: -59.091
Base-Backbone interact. energy: 2.208
local terms energy: -212.676021
where:
bonds (distance) C4'-P energy: -71.138
bonds (distance) P-C4' energy: -60.625
flat angles C4'-P-C4' energy: -57.837
flat angles P-C4'-P energy: -32.152
tors. eta vs tors. theta energy: 9.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 26
Temperature: 1.300000
Total energy: -304.567493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.567493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.567493 (E_RNA)
where:
Base-Base interactions energy: -112.989
where: short stacking energy: -78.947
Base-Backbone interact. energy: 0.119
local terms energy: -191.697757
where:
bonds (distance) C4'-P energy: -46.156
bonds (distance) P-C4' energy: -63.983
flat angles C4'-P-C4' energy: -57.689
flat angles P-C4'-P energy: -29.973
tors. eta vs tors. theta energy: 6.103
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 26
Temperature: 1.350000
Total energy: -285.253568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.253568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.253568 (E_RNA)
where:
Base-Base interactions energy: -94.004
where: short stacking energy: -78.137
Base-Backbone interact. energy: 0.173
local terms energy: -191.422478
where:
bonds (distance) C4'-P energy: -41.752
bonds (distance) P-C4' energy: -58.842
flat angles C4'-P-C4' energy: -59.501
flat angles P-C4'-P energy: -36.797
tors. eta vs tors. theta energy: 5.470
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: 3
=====================================
Write number: 27
Temperature: 0.900000
Total energy: -940.821372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -940.821372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -940.821372 (E_RNA)
where:
Base-Base interactions energy: -613.424
where: short stacking energy: -274.525
Base-Backbone interact. energy: -0.770
local terms energy: -326.626740
where:
bonds (distance) C4'-P energy: -68.919
bonds (distance) P-C4' energy: -59.343
flat angles C4'-P-C4' energy: -70.575
flat angles P-C4'-P energy: -49.787
tors. eta vs tors. theta energy: -78.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 27
Temperature: 0.950000
Total energy: -835.857713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -835.857713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -835.857713 (E_RNA)
where:
Base-Base interactions energy: -504.055
where: short stacking energy: -246.141
Base-Backbone interact. energy: -0.507
local terms energy: -331.296097
where:
bonds (distance) C4'-P energy: -71.513
bonds (distance) P-C4' energy: -80.780
flat angles C4'-P-C4' energy: -70.492
flat angles P-C4'-P energy: -41.139
tors. eta vs tors. theta energy: -67.372
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: 2
=====================================
Write number: 27
Temperature: 1.000000
Total energy: -740.894674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -740.894674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -740.894674 (E_RNA)
where:
Base-Base interactions energy: -431.661
where: short stacking energy: -222.973
Base-Backbone interact. energy: -1.287
local terms energy: -307.947011
where:
bonds (distance) C4'-P energy: -67.045
bonds (distance) P-C4' energy: -67.436
flat angles C4'-P-C4' energy: -68.443
flat angles P-C4'-P energy: -42.703
tors. eta vs tors. theta energy: -62.320
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 27
Temperature: 1.050000
Total energy: -652.429051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -652.429051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -652.429051 (E_RNA)
where:
Base-Base interactions energy: -387.245
where: short stacking energy: -189.539
Base-Backbone interact. energy: -0.400
local terms energy: -264.784175
where:
bonds (distance) C4'-P energy: -50.719
bonds (distance) P-C4' energy: -74.047
flat angles C4'-P-C4' energy: -62.473
flat angles P-C4'-P energy: -33.095
tors. eta vs tors. theta energy: -44.451
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: 1
=====================================
Write number: 27
Temperature: 1.100000
Total energy: -577.134790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -577.134790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -577.134790 (E_RNA)
where:
Base-Base interactions energy: -325.291
where: short stacking energy: -174.810
Base-Backbone interact. energy: -0.513
local terms energy: -251.330176
where:
bonds (distance) C4'-P energy: -54.205
bonds (distance) P-C4' energy: -69.565
flat angles C4'-P-C4' energy: -61.232
flat angles P-C4'-P energy: -32.686
tors. eta vs tors. theta energy: -33.642
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: 9
=====================================
Write number: 27
Temperature: 1.150000
Total energy: -378.113108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -378.113108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -378.113108 (E_RNA)
where:
Base-Base interactions energy: -154.283
where: short stacking energy: -124.452
Base-Backbone interact. energy: -3.315
local terms energy: -220.514825
where:
bonds (distance) C4'-P energy: -63.714
bonds (distance) P-C4' energy: -62.655
flat angles C4'-P-C4' energy: -55.770
flat angles P-C4'-P energy: -27.784
tors. eta vs tors. theta energy: -10.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 27
Temperature: 1.200000
Total energy: -366.043102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.043102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.043102 (E_RNA)
where:
Base-Base interactions energy: -157.679
where: short stacking energy: -104.640
Base-Backbone interact. energy: 1.467
local terms energy: -209.831298
where:
bonds (distance) C4'-P energy: -53.808
bonds (distance) P-C4' energy: -52.372
flat angles C4'-P-C4' energy: -65.897
flat angles P-C4'-P energy: -43.767
tors. eta vs tors. theta energy: 6.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 27
Temperature: 1.250000
Total energy: -318.405699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.405699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.405699 (E_RNA)
where:
Base-Base interactions energy: -120.095
where: short stacking energy: -74.885
Base-Backbone interact. energy: -0.023
local terms energy: -198.287876
where:
bonds (distance) C4'-P energy: -61.166
bonds (distance) P-C4' energy: -63.708
flat angles C4'-P-C4' energy: -56.958
flat angles P-C4'-P energy: -33.682
tors. eta vs tors. theta energy: 17.225
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: 27
Temperature: 1.300000
Total energy: -295.060744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.060744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.060744 (E_RNA)
where:
Base-Base interactions energy: -110.934
where: short stacking energy: -84.215
Base-Backbone interact. energy: -2.285
local terms energy: -181.841917
where:
bonds (distance) C4'-P energy: -50.889
bonds (distance) P-C4' energy: -60.740
flat angles C4'-P-C4' energy: -46.512
flat angles P-C4'-P energy: -29.580
tors. eta vs tors. theta energy: 5.879
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: 6
=====================================
Write number: 27
Temperature: 1.350000
Total energy: -279.194524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.194524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.194524 (E_RNA)
where:
Base-Base interactions energy: -89.766
where: short stacking energy: -82.752
Base-Backbone interact. energy: -0.546
local terms energy: -188.883410
where:
bonds (distance) C4'-P energy: -60.418
bonds (distance) P-C4' energy: -60.632
flat angles C4'-P-C4' energy: -38.736
flat angles P-C4'-P energy: -30.171
tors. eta vs tors. theta energy: 1.073
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: 1, replica: 3
=====================================
Write number: 28
Temperature: 0.900000
Total energy: -945.390295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -945.390295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -945.390295 (E_RNA)
where:
Base-Base interactions energy: -598.350
where: short stacking energy: -283.488
Base-Backbone interact. energy: 0.787
local terms energy: -347.827205
where:
bonds (distance) C4'-P energy: -67.480
bonds (distance) P-C4' energy: -71.199
flat angles C4'-P-C4' energy: -70.186
flat angles P-C4'-P energy: -50.620
tors. eta vs tors. theta energy: -88.343
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: 2, replica: 5
=====================================
Write number: 28
Temperature: 0.950000
Total energy: -802.727841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -802.727841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -802.727841 (E_RNA)
where:
Base-Base interactions energy: -490.669
where: short stacking energy: -256.588
Base-Backbone interact. energy: -1.218
local terms energy: -310.840231
where:
bonds (distance) C4'-P energy: -65.800
bonds (distance) P-C4' energy: -72.696
flat angles C4'-P-C4' energy: -68.182
flat angles P-C4'-P energy: -42.449
tors. eta vs tors. theta energy: -61.714
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: 2
=====================================
Write number: 28
Temperature: 1.000000
Total energy: -723.055462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -723.055462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -723.055462 (E_RNA)
where:
Base-Base interactions energy: -431.610
where: short stacking energy: -210.049
Base-Backbone interact. energy: -1.035
local terms energy: -290.410404
where:
bonds (distance) C4'-P energy: -65.068
bonds (distance) P-C4' energy: -68.681
flat angles C4'-P-C4' energy: -67.174
flat angles P-C4'-P energy: -42.101
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: 4
=====================================
Write number: 28
Temperature: 1.050000
Total energy: -661.892557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -661.892557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -661.892557 (E_RNA)
where:
Base-Base interactions energy: -391.738
where: short stacking energy: -192.166
Base-Backbone interact. energy: -2.493
local terms energy: -267.662019
where:
bonds (distance) C4'-P energy: -60.142
bonds (distance) P-C4' energy: -70.441
flat angles C4'-P-C4' energy: -59.418
flat angles P-C4'-P energy: -42.690
tors. eta vs tors. theta energy: -34.971
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: 5, replica: 1
=====================================
Write number: 28
Temperature: 1.100000
Total energy: -628.653428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -628.653428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -628.653428 (E_RNA)
where:
Base-Base interactions energy: -361.244
where: short stacking energy: -175.097
Base-Backbone interact. energy: -2.502
local terms energy: -264.907229
where:
bonds (distance) C4'-P energy: -60.789
bonds (distance) P-C4' energy: -67.054
flat angles C4'-P-C4' energy: -59.637
flat angles P-C4'-P energy: -31.665
tors. eta vs tors. theta energy: -45.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 28
Temperature: 1.150000
Total energy: -382.654358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -382.654358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -382.654358 (E_RNA)
where:
Base-Base interactions energy: -145.870
where: short stacking energy: -115.810
Base-Backbone interact. energy: -1.932
local terms energy: -234.852994
where:
bonds (distance) C4'-P energy: -67.305
bonds (distance) P-C4' energy: -59.276
flat angles C4'-P-C4' energy: -56.236
flat angles P-C4'-P energy: -40.002
tors. eta vs tors. theta energy: -12.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 28
Temperature: 1.200000
Total energy: -371.565415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.565415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.565415 (E_RNA)
where:
Base-Base interactions energy: -166.976
where: short stacking energy: -98.120
Base-Backbone interact. energy: 0.920
local terms energy: -205.509742
where:
bonds (distance) C4'-P energy: -66.888
bonds (distance) P-C4' energy: -64.382
flat angles C4'-P-C4' energy: -34.200
flat angles P-C4'-P energy: -37.806
tors. eta vs tors. theta energy: -2.234
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 28
Temperature: 1.250000
Total energy: -316.895774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.895774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.895774 (E_RNA)
where:
Base-Base interactions energy: -109.363
where: short stacking energy: -72.619
Base-Backbone interact. energy: -2.700
local terms energy: -204.833108
where:
bonds (distance) C4'-P energy: -55.515
bonds (distance) P-C4' energy: -56.308
flat angles C4'-P-C4' energy: -57.315
flat angles P-C4'-P energy: -41.228
tors. eta vs tors. theta energy: 5.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 28
Temperature: 1.300000
Total energy: -309.801107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.801107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.801107 (E_RNA)
where:
Base-Base interactions energy: -122.276
where: short stacking energy: -86.231
Base-Backbone interact. energy: 0.482
local terms energy: -188.006879
where:
bonds (distance) C4'-P energy: -63.144
bonds (distance) P-C4' energy: -58.508
flat angles C4'-P-C4' energy: -40.582
flat angles P-C4'-P energy: -29.053
tors. eta vs tors. theta energy: 3.279
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 28
Temperature: 1.350000
Total energy: -297.026780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.026780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.026780 (E_RNA)
where:
Base-Base interactions energy: -115.319
where: short stacking energy: -97.348
Base-Backbone interact. energy: -2.926
local terms energy: -178.781323
where:
bonds (distance) C4'-P energy: -40.421
bonds (distance) P-C4' energy: -50.161
flat angles C4'-P-C4' energy: -53.603
flat angles P-C4'-P energy: -30.552
tors. eta vs tors. theta energy: -4.044
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 29
Temperature: 0.900000
Total energy: -898.164534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -898.164534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -898.164534 (E_RNA)
where:
Base-Base interactions energy: -575.005
where: short stacking energy: -272.551
Base-Backbone interact. energy: 3.159
local terms energy: -326.319274
where:
bonds (distance) C4'-P energy: -61.681
bonds (distance) P-C4' energy: -71.724
flat angles C4'-P-C4' energy: -70.001
flat angles P-C4'-P energy: -48.325
tors. eta vs tors. theta energy: -74.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 29
Temperature: 0.950000
Total energy: -845.809659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -845.809659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -845.809659 (E_RNA)
where:
Base-Base interactions energy: -509.357
where: short stacking energy: -269.518
Base-Backbone interact. energy: 1.818
local terms energy: -338.270901
where:
bonds (distance) C4'-P energy: -70.962
bonds (distance) P-C4' energy: -69.400
flat angles C4'-P-C4' energy: -70.881
flat angles P-C4'-P energy: -47.803
tors. eta vs tors. theta energy: -79.225
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 29
Temperature: 1.000000
Total energy: -689.724130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -689.724130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -689.724130 (E_RNA)
where:
Base-Base interactions energy: -391.919
where: short stacking energy: -208.262
Base-Backbone interact. energy: 3.099
local terms energy: -300.904667
where:
bonds (distance) C4'-P energy: -71.865
bonds (distance) P-C4' energy: -62.558
flat angles C4'-P-C4' energy: -70.989
flat angles P-C4'-P energy: -36.869
tors. eta vs tors. theta energy: -58.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 29
Temperature: 1.050000
Total energy: -668.476611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -668.476611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -668.476611 (E_RNA)
where:
Base-Base interactions energy: -375.941
where: short stacking energy: -202.124
Base-Backbone interact. energy: -0.724
local terms energy: -291.811611
where:
bonds (distance) C4'-P energy: -64.376
bonds (distance) P-C4' energy: -66.963
flat angles C4'-P-C4' energy: -71.629
flat angles P-C4'-P energy: -39.513
tors. eta vs tors. theta energy: -49.330
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 29
Temperature: 1.100000
Total energy: -589.865434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -589.865434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -589.865434 (E_RNA)
where:
Base-Base interactions energy: -323.769
where: short stacking energy: -172.987
Base-Backbone interact. energy: -2.608
local terms energy: -263.489143
where:
bonds (distance) C4'-P energy: -64.171
bonds (distance) P-C4' energy: -58.612
flat angles C4'-P-C4' energy: -66.921
flat angles P-C4'-P energy: -35.630
tors. eta vs tors. theta energy: -38.155
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: 9
=====================================
Write number: 29
Temperature: 1.150000
Total energy: -429.307498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -429.307498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -429.307498 (E_RNA)
where:
Base-Base interactions energy: -190.142
where: short stacking energy: -127.069
Base-Backbone interact. energy: -2.834
local terms energy: -236.331638
where:
bonds (distance) C4'-P energy: -60.824
bonds (distance) P-C4' energy: -58.055
flat angles C4'-P-C4' energy: -50.128
flat angles P-C4'-P energy: -39.814
tors. eta vs tors. theta energy: -27.510
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 29
Temperature: 1.200000
Total energy: -330.269937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.269937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.269937 (E_RNA)
where:
Base-Base interactions energy: -108.406
where: short stacking energy: -78.093
Base-Backbone interact. energy: -0.902
local terms energy: -220.961139
where:
bonds (distance) C4'-P energy: -59.689
bonds (distance) P-C4' energy: -74.420
flat angles C4'-P-C4' energy: -58.252
flat angles P-C4'-P energy: -34.493
tors. eta vs tors. theta energy: 5.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 29
Temperature: 1.250000
Total energy: -327.345334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.345334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.345334 (E_RNA)
where:
Base-Base interactions energy: -117.827
where: short stacking energy: -98.618
Base-Backbone interact. energy: 1.790
local terms energy: -211.309003
where:
bonds (distance) C4'-P energy: -57.278
bonds (distance) P-C4' energy: -64.313
flat angles C4'-P-C4' energy: -53.558
flat angles P-C4'-P energy: -36.280
tors. eta vs tors. theta energy: 0.120
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: 9, replica: 8
=====================================
Write number: 29
Temperature: 1.300000
Total energy: -309.546250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.546250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.546250 (E_RNA)
where:
Base-Base interactions energy: -111.574
where: short stacking energy: -76.612
Base-Backbone interact. energy: -0.386
local terms energy: -197.586392
where:
bonds (distance) C4'-P energy: -62.974
bonds (distance) P-C4' energy: -66.439
flat angles C4'-P-C4' energy: -52.646
flat angles P-C4'-P energy: -15.990
tors. eta vs tors. theta energy: 0.463
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 29
Temperature: 1.350000
Total energy: -272.927173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.927173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.927173 (E_RNA)
where:
Base-Base interactions energy: -88.261
where: short stacking energy: -54.665
Base-Backbone interact. energy: 0.095
local terms energy: -184.761132
where:
bonds (distance) C4'-P energy: -54.092
bonds (distance) P-C4' energy: -53.104
flat angles C4'-P-C4' energy: -58.878
flat angles P-C4'-P energy: -31.626
tors. eta vs tors. theta energy: 12.939
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 30
Temperature: 0.900000
Total energy: -912.003466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -912.003466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -912.003466 (E_RNA)
where:
Base-Base interactions energy: -566.278
where: short stacking energy: -256.961
Base-Backbone interact. energy: -1.642
local terms energy: -344.083058
where:
bonds (distance) C4'-P energy: -70.028
bonds (distance) P-C4' energy: -75.179
flat angles C4'-P-C4' energy: -74.606
flat angles P-C4'-P energy: -48.652
tors. eta vs tors. theta energy: -75.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 30
Temperature: 0.950000
Total energy: -876.869195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -876.869195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -876.869195 (E_RNA)
where:
Base-Base interactions energy: -537.946
where: short stacking energy: -267.362
Base-Backbone interact. energy: 0.133
local terms energy: -339.056508
where:
bonds (distance) C4'-P energy: -67.359
bonds (distance) P-C4' energy: -74.048
flat angles C4'-P-C4' energy: -72.264
flat angles P-C4'-P energy: -48.194
tors. eta vs tors. theta energy: -77.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 30
Temperature: 1.000000
Total energy: -724.778012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -724.778012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -724.778012 (E_RNA)
where:
Base-Base interactions energy: -420.577
where: short stacking energy: -207.639
Base-Backbone interact. energy: -0.119
local terms energy: -304.082061
where:
bonds (distance) C4'-P energy: -55.394
bonds (distance) P-C4' energy: -72.943
flat angles C4'-P-C4' energy: -76.648
flat angles P-C4'-P energy: -49.344
tors. eta vs tors. theta energy: -49.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 30
Temperature: 1.050000
Total energy: -659.148635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -659.148635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -659.148635 (E_RNA)
where:
Base-Base interactions energy: -378.160
where: short stacking energy: -218.086
Base-Backbone interact. energy: 1.367
local terms energy: -282.355733
where:
bonds (distance) C4'-P energy: -60.045
bonds (distance) P-C4' energy: -63.796
flat angles C4'-P-C4' energy: -63.017
flat angles P-C4'-P energy: -44.321
tors. eta vs tors. theta energy: -51.177
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: 1
=====================================
Write number: 30
Temperature: 1.100000
Total energy: -576.523315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -576.523315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -576.523315 (E_RNA)
where:
Base-Base interactions energy: -301.589
where: short stacking energy: -158.937
Base-Backbone interact. energy: 0.874
local terms energy: -275.808052
where:
bonds (distance) C4'-P energy: -62.013
bonds (distance) P-C4' energy: -71.533
flat angles C4'-P-C4' energy: -58.032
flat angles P-C4'-P energy: -50.003
tors. eta vs tors. theta energy: -34.227
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 30
Temperature: 1.150000
Total energy: -365.209421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.209421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.209421 (E_RNA)
where:
Base-Base interactions energy: -134.460
where: short stacking energy: -109.324
Base-Backbone interact. energy: -0.043
local terms energy: -230.706445
where:
bonds (distance) C4'-P energy: -72.770
bonds (distance) P-C4' energy: -60.701
flat angles C4'-P-C4' energy: -52.438
flat angles P-C4'-P energy: -39.530
tors. eta vs tors. theta energy: -5.267
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: 10
=====================================
Write number: 30
Temperature: 1.200000
Total energy: -344.677251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.677251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.677251 (E_RNA)
where:
Base-Base interactions energy: -123.616
where: short stacking energy: -108.323
Base-Backbone interact. energy: -0.742
local terms energy: -220.319165
where:
bonds (distance) C4'-P energy: -63.927
bonds (distance) P-C4' energy: -66.240
flat angles C4'-P-C4' energy: -66.560
flat angles P-C4'-P energy: -31.158
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: 8, replica: 7
=====================================
Write number: 30
Temperature: 1.250000
Total energy: -328.757885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.757885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.757885 (E_RNA)
where:
Base-Base interactions energy: -128.392
where: short stacking energy: -120.517
Base-Backbone interact. energy: -0.835
local terms energy: -199.531158
where:
bonds (distance) C4'-P energy: -58.556
bonds (distance) P-C4' energy: -54.612
flat angles C4'-P-C4' energy: -52.384
flat angles P-C4'-P energy: -22.188
tors. eta vs tors. theta energy: -11.790
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 30
Temperature: 1.300000
Total energy: -281.997322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.997322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.997322 (E_RNA)
where:
Base-Base interactions energy: -79.943
where: short stacking energy: -75.465
Base-Backbone interact. energy: 0.448
local terms energy: -202.501974
where:
bonds (distance) C4'-P energy: -53.332
bonds (distance) P-C4' energy: -70.794
flat angles C4'-P-C4' energy: -46.718
flat angles P-C4'-P energy: -39.425
tors. eta vs tors. theta energy: 7.766
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: 30
Temperature: 1.350000
Total energy: -282.692209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.692209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.692209 (E_RNA)
where:
Base-Base interactions energy: -91.216
where: short stacking energy: -78.039
Base-Backbone interact. energy: 2.828
local terms energy: -194.303916
where:
bonds (distance) C4'-P energy: -47.796
bonds (distance) P-C4' energy: -56.561
flat angles C4'-P-C4' energy: -61.969
flat angles P-C4'-P energy: -35.028
tors. eta vs tors. theta energy: 7.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 31
Temperature: 0.900000
Total energy: -945.393500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -945.393500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -945.393500 (E_RNA)
where:
Base-Base interactions energy: -627.561
where: short stacking energy: -278.958
Base-Backbone interact. energy: -3.128
local terms energy: -314.704452
where:
bonds (distance) C4'-P energy: -70.802
bonds (distance) P-C4' energy: -59.502
flat angles C4'-P-C4' energy: -66.071
flat angles P-C4'-P energy: -42.285
tors. eta vs tors. theta energy: -76.044
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 31
Temperature: 0.950000
Total energy: -880.521639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -880.521639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -880.521639 (E_RNA)
where:
Base-Base interactions energy: -545.412
where: short stacking energy: -278.047
Base-Backbone interact. energy: 0.889
local terms energy: -335.998575
where:
bonds (distance) C4'-P energy: -63.360
bonds (distance) P-C4' energy: -72.602
flat angles C4'-P-C4' energy: -79.410
flat angles P-C4'-P energy: -52.295
tors. eta vs tors. theta energy: -68.331
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: 4
=====================================
Write number: 31
Temperature: 1.000000
Total energy: -719.587337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -719.587337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -719.587337 (E_RNA)
where:
Base-Base interactions energy: -423.928
where: short stacking energy: -206.130
Base-Backbone interact. energy: 2.303
local terms energy: -297.961650
where:
bonds (distance) C4'-P energy: -67.723
bonds (distance) P-C4' energy: -65.786
flat angles C4'-P-C4' energy: -69.772
flat angles P-C4'-P energy: -44.471
tors. eta vs tors. theta energy: -50.210
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: 2
=====================================
Write number: 31
Temperature: 1.050000
Total energy: -675.381267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -675.381267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -675.381267 (E_RNA)
where:
Base-Base interactions energy: -389.544
where: short stacking energy: -199.822
Base-Backbone interact. energy: -0.292
local terms energy: -285.544538
where:
bonds (distance) C4'-P energy: -70.191
bonds (distance) P-C4' energy: -63.854
flat angles C4'-P-C4' energy: -63.581
flat angles P-C4'-P energy: -39.812
tors. eta vs tors. theta energy: -48.106
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: 1
=====================================
Write number: 31
Temperature: 1.100000
Total energy: -570.429150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -570.429150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -570.429150 (E_RNA)
where:
Base-Base interactions energy: -307.117
where: short stacking energy: -151.082
Base-Backbone interact. energy: -3.508
local terms energy: -259.804128
where:
bonds (distance) C4'-P energy: -62.663
bonds (distance) P-C4' energy: -64.201
flat angles C4'-P-C4' energy: -58.590
flat angles P-C4'-P energy: -47.758
tors. eta vs tors. theta energy: -26.593
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 31
Temperature: 1.150000
Total energy: -358.624684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.624684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.624684 (E_RNA)
where:
Base-Base interactions energy: -117.440
where: short stacking energy: -101.780
Base-Backbone interact. energy: -1.697
local terms energy: -239.487695
where:
bonds (distance) C4'-P energy: -71.636
bonds (distance) P-C4' energy: -74.291
flat angles C4'-P-C4' energy: -61.168
flat angles P-C4'-P energy: -34.503
tors. eta vs tors. theta energy: 2.109
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 31
Temperature: 1.200000
Total energy: -347.357537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.357537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.357537 (E_RNA)
where:
Base-Base interactions energy: -140.626
where: short stacking energy: -85.548
Base-Backbone interact. energy: -0.774
local terms energy: -205.957147
where:
bonds (distance) C4'-P energy: -63.239
bonds (distance) P-C4' energy: -66.471
flat angles C4'-P-C4' energy: -45.760
flat angles P-C4'-P energy: -30.889
tors. eta vs tors. theta energy: 0.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 31
Temperature: 1.250000
Total energy: -352.036119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.036119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.036119 (E_RNA)
where:
Base-Base interactions energy: -161.318
where: short stacking energy: -114.202
Base-Backbone interact. energy: 2.478
local terms energy: -193.197049
where:
bonds (distance) C4'-P energy: -50.445
bonds (distance) P-C4' energy: -60.894
flat angles C4'-P-C4' energy: -48.015
flat angles P-C4'-P energy: -31.223
tors. eta vs tors. theta energy: -2.620
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 31
Temperature: 1.300000
Total energy: -307.320310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.320310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.320310 (E_RNA)
where:
Base-Base interactions energy: -106.249
where: short stacking energy: -75.045
Base-Backbone interact. energy: -1.035
local terms energy: -200.036115
where:
bonds (distance) C4'-P energy: -55.436
bonds (distance) P-C4' energy: -68.551
flat angles C4'-P-C4' energy: -58.641
flat angles P-C4'-P energy: -22.541
tors. eta vs tors. theta energy: 5.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 31
Temperature: 1.350000
Total energy: -266.399714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.399714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.399714 (E_RNA)
where:
Base-Base interactions energy: -93.720
where: short stacking energy: -57.896
Base-Backbone interact. energy: 0.302
local terms energy: -172.981373
where:
bonds (distance) C4'-P energy: -54.223
bonds (distance) P-C4' energy: -66.765
flat angles C4'-P-C4' energy: -33.013
flat angles P-C4'-P energy: -29.789
tors. eta vs tors. theta energy: 10.808
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 32
Temperature: 0.900000
Total energy: -978.473620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -978.473620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -978.473620 (E_RNA)
where:
Base-Base interactions energy: -641.687
where: short stacking energy: -299.336
Base-Backbone interact. energy: -0.031
local terms energy: -336.755562
where:
bonds (distance) C4'-P energy: -69.033
bonds (distance) P-C4' energy: -71.130
flat angles C4'-P-C4' energy: -77.649
flat angles P-C4'-P energy: -39.786
tors. eta vs tors. theta energy: -79.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 32
Temperature: 0.950000
Total energy: -839.720190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -839.720190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -839.720190 (E_RNA)
where:
Base-Base interactions energy: -546.810
where: short stacking energy: -231.156
Base-Backbone interact. energy: -1.026
local terms energy: -291.884165
where:
bonds (distance) C4'-P energy: -63.428
bonds (distance) P-C4' energy: -73.241
flat angles C4'-P-C4' energy: -68.409
flat angles P-C4'-P energy: -29.836
tors. eta vs tors. theta energy: -56.970
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 32
Temperature: 1.000000
Total energy: -761.591150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -761.591150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -761.591150 (E_RNA)
where:
Base-Base interactions energy: -456.379
where: short stacking energy: -241.697
Base-Backbone interact. energy: 0.540
local terms energy: -305.751323
where:
bonds (distance) C4'-P energy: -64.953
bonds (distance) P-C4' energy: -65.495
flat angles C4'-P-C4' energy: -69.239
flat angles P-C4'-P energy: -38.306
tors. eta vs tors. theta energy: -67.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 32
Temperature: 1.050000
Total energy: -732.946628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -732.946628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -732.946628 (E_RNA)
where:
Base-Base interactions energy: -452.049
where: short stacking energy: -225.273
Base-Backbone interact. energy: 1.025
local terms energy: -281.923148
where:
bonds (distance) C4'-P energy: -66.347
bonds (distance) P-C4' energy: -72.194
flat angles C4'-P-C4' energy: -51.014
flat angles P-C4'-P energy: -37.658
tors. eta vs tors. theta energy: -54.709
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 32
Temperature: 1.100000
Total energy: -569.795594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -569.795594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -569.795594 (E_RNA)
where:
Base-Base interactions energy: -298.424
where: short stacking energy: -150.787
Base-Backbone interact. energy: -1.242
local terms energy: -270.129999
where:
bonds (distance) C4'-P energy: -62.654
bonds (distance) P-C4' energy: -68.931
flat angles C4'-P-C4' energy: -63.856
flat angles P-C4'-P energy: -45.405
tors. eta vs tors. theta energy: -29.284
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: 32
Temperature: 1.150000
Total energy: -391.727441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.727441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -391.727441 (E_RNA)
where:
Base-Base interactions energy: -161.774
where: short stacking energy: -124.490
Base-Backbone interact. energy: -1.833
local terms energy: -228.121223
where:
bonds (distance) C4'-P energy: -66.393
bonds (distance) P-C4' energy: -63.591
flat angles C4'-P-C4' energy: -54.697
flat angles P-C4'-P energy: -34.290
tors. eta vs tors. theta energy: -9.150
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: 7
=====================================
Write number: 32
Temperature: 1.200000
Total energy: -327.106925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.106925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.106925 (E_RNA)
where:
Base-Base interactions energy: -111.158
where: short stacking energy: -80.940
Base-Backbone interact. energy: -1.512
local terms energy: -214.437574
where:
bonds (distance) C4'-P energy: -66.225
bonds (distance) P-C4' energy: -65.899
flat angles C4'-P-C4' energy: -58.446
flat angles P-C4'-P energy: -36.074
tors. eta vs tors. theta energy: 12.207
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 32
Temperature: 1.250000
Total energy: -303.680649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.680649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.680649 (E_RNA)
where:
Base-Base interactions energy: -115.464
where: short stacking energy: -81.314
Base-Backbone interact. energy: 1.122
local terms energy: -189.339155
where:
bonds (distance) C4'-P energy: -51.620
bonds (distance) P-C4' energy: -64.847
flat angles C4'-P-C4' energy: -55.399
flat angles P-C4'-P energy: -30.603
tors. eta vs tors. theta energy: 13.129
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 32
Temperature: 1.300000
Total energy: -291.286236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.286236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.286236 (E_RNA)
where:
Base-Base interactions energy: -84.479
where: short stacking energy: -77.522
Base-Backbone interact. energy: -0.007
local terms energy: -206.800267
where:
bonds (distance) C4'-P energy: -62.232
bonds (distance) P-C4' energy: -66.705
flat angles C4'-P-C4' energy: -42.013
flat angles P-C4'-P energy: -34.832
tors. eta vs tors. theta energy: -1.018
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 32
Temperature: 1.350000
Total energy: -274.813024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.813024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.813024 (E_RNA)
where:
Base-Base interactions energy: -79.037
where: short stacking energy: -63.418
Base-Backbone interact. energy: 0.958
local terms energy: -196.733988
where:
bonds (distance) C4'-P energy: -54.984
bonds (distance) P-C4' energy: -57.067
flat angles C4'-P-C4' energy: -59.797
flat angles P-C4'-P energy: -38.228
tors. eta vs tors. theta energy: 13.342
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 33
Temperature: 0.900000
Total energy: -956.632152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -956.632152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -956.632152 (E_RNA)
where:
Base-Base interactions energy: -637.281
where: short stacking energy: -276.002
Base-Backbone interact. energy: -0.135
local terms energy: -319.216057
where:
bonds (distance) C4'-P energy: -59.130
bonds (distance) P-C4' energy: -66.196
flat angles C4'-P-C4' energy: -72.524
flat angles P-C4'-P energy: -51.473
tors. eta vs tors. theta energy: -69.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 33
Temperature: 0.950000
Total energy: -873.101874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -873.101874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -873.101874 (E_RNA)
where:
Base-Base interactions energy: -546.106
where: short stacking energy: -269.585
Base-Backbone interact. energy: -1.872
local terms energy: -325.123605
where:
bonds (distance) C4'-P energy: -71.776
bonds (distance) P-C4' energy: -60.656
flat angles C4'-P-C4' energy: -63.711
flat angles P-C4'-P energy: -56.302
tors. eta vs tors. theta energy: -72.678
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 33
Temperature: 1.000000
Total energy: -774.433725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -774.433725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -774.433725 (E_RNA)
where:
Base-Base interactions energy: -460.738
where: short stacking energy: -225.087
Base-Backbone interact. energy: 0.233
local terms energy: -313.929482
where:
bonds (distance) C4'-P energy: -70.292
bonds (distance) P-C4' energy: -65.180
flat angles C4'-P-C4' energy: -74.124
flat angles P-C4'-P energy: -40.487
tors. eta vs tors. theta energy: -63.846
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 33
Temperature: 1.050000
Total energy: -758.907571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -758.907571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -758.907571 (E_RNA)
where:
Base-Base interactions energy: -471.229
where: short stacking energy: -208.332
Base-Backbone interact. energy: 0.672
local terms energy: -288.350393
where:
bonds (distance) C4'-P energy: -59.273
bonds (distance) P-C4' energy: -65.811
flat angles C4'-P-C4' energy: -63.760
flat angles P-C4'-P energy: -43.016
tors. eta vs tors. theta energy: -56.491
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 33
Temperature: 1.100000
Total energy: -678.681048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -678.681048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -678.681048 (E_RNA)
where:
Base-Base interactions energy: -395.792
where: short stacking energy: -190.496
Base-Backbone interact. energy: -1.308
local terms energy: -281.580501
where:
bonds (distance) C4'-P energy: -66.762
bonds (distance) P-C4' energy: -70.293
flat angles C4'-P-C4' energy: -55.078
flat angles P-C4'-P energy: -43.605
tors. eta vs tors. theta energy: -45.843
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: 7
=====================================
Write number: 33
Temperature: 1.150000
Total energy: -376.648350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -376.648350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -376.648350 (E_RNA)
where:
Base-Base interactions energy: -145.161
where: short stacking energy: -126.248
Base-Backbone interact. energy: 2.450
local terms energy: -233.937791
where:
bonds (distance) C4'-P energy: -55.312
bonds (distance) P-C4' energy: -61.395
flat angles C4'-P-C4' energy: -63.087
flat angles P-C4'-P energy: -34.781
tors. eta vs tors. theta energy: -19.363
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: 9
=====================================
Write number: 33
Temperature: 1.200000
Total energy: -343.747481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.747481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.747481 (E_RNA)
where:
Base-Base interactions energy: -138.914
where: short stacking energy: -78.131
Base-Backbone interact. energy: 1.108
local terms energy: -205.942002
where:
bonds (distance) C4'-P energy: -63.696
bonds (distance) P-C4' energy: -63.398
flat angles C4'-P-C4' energy: -50.783
flat angles P-C4'-P energy: -41.518
tors. eta vs tors. theta energy: 13.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 33
Temperature: 1.250000
Total energy: -304.656949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.656949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.656949 (E_RNA)
where:
Base-Base interactions energy: -110.369
where: short stacking energy: -86.721
Base-Backbone interact. energy: 0.156
local terms energy: -194.443633
where:
bonds (distance) C4'-P energy: -53.864
bonds (distance) P-C4' energy: -69.900
flat angles C4'-P-C4' energy: -44.389
flat angles P-C4'-P energy: -36.716
tors. eta vs tors. theta energy: 10.426
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: 9, replica: 8
=====================================
Write number: 33
Temperature: 1.300000
Total energy: -289.226928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.226928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.226928 (E_RNA)
where:
Base-Base interactions energy: -99.921
where: short stacking energy: -74.511
Base-Backbone interact. energy: -1.024
local terms energy: -188.282096
where:
bonds (distance) C4'-P energy: -57.956
bonds (distance) P-C4' energy: -69.587
flat angles C4'-P-C4' energy: -50.308
flat angles P-C4'-P energy: -21.371
tors. eta vs tors. theta energy: 10.939
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 33
Temperature: 1.350000
Total energy: -267.184524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.184524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.184524 (E_RNA)
where:
Base-Base interactions energy: -96.972
where: short stacking energy: -69.781
Base-Backbone interact. energy: 2.885
local terms energy: -173.097390
where:
bonds (distance) C4'-P energy: -52.005
bonds (distance) P-C4' energy: -60.386
flat angles C4'-P-C4' energy: -51.191
flat angles P-C4'-P energy: -23.506
tors. eta vs tors. theta energy: 13.990
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: 34
Temperature: 0.900000
Total energy: -973.166617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -973.166617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -973.166617 (E_RNA)
where:
Base-Base interactions energy: -657.480
where: short stacking energy: -265.192
Base-Backbone interact. energy: -0.761
local terms energy: -314.926232
where:
bonds (distance) C4'-P energy: -69.683
bonds (distance) P-C4' energy: -72.292
flat angles C4'-P-C4' energy: -60.319
flat angles P-C4'-P energy: -43.530
tors. eta vs tors. theta energy: -69.102
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: 2, replica: 5
=====================================
Write number: 34
Temperature: 0.950000
Total energy: -840.615865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -840.615865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -840.615865 (E_RNA)
where:
Base-Base interactions energy: -528.193
where: short stacking energy: -254.057
Base-Backbone interact. energy: -1.270
local terms energy: -311.153010
where:
bonds (distance) C4'-P energy: -50.918
bonds (distance) P-C4' energy: -68.785
flat angles C4'-P-C4' energy: -72.789
flat angles P-C4'-P energy: -53.210
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: 3, replica: 2
=====================================
Write number: 34
Temperature: 1.000000
Total energy: -763.351816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -763.351816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -763.351816 (E_RNA)
where:
Base-Base interactions energy: -476.424
where: short stacking energy: -238.733
Base-Backbone interact. energy: 0.312
local terms energy: -287.240102
where:
bonds (distance) C4'-P energy: -55.772
bonds (distance) P-C4' energy: -60.035
flat angles C4'-P-C4' energy: -67.473
flat angles P-C4'-P energy: -43.800
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: 4
=====================================
Write number: 34
Temperature: 1.050000
Total energy: -756.505538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -756.505538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -756.505538 (E_RNA)
where:
Base-Base interactions energy: -461.493
where: short stacking energy: -217.524
Base-Backbone interact. energy: -1.774
local terms energy: -293.238037
where:
bonds (distance) C4'-P energy: -62.351
bonds (distance) P-C4' energy: -71.742
flat angles C4'-P-C4' energy: -71.831
flat angles P-C4'-P energy: -41.537
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: 5, replica: 1
=====================================
Write number: 34
Temperature: 1.100000
Total energy: -712.824625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -712.824625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -712.824625 (E_RNA)
where:
Base-Base interactions energy: -424.991
where: short stacking energy: -198.759
Base-Backbone interact. energy: -1.126
local terms energy: -286.708372
where:
bonds (distance) C4'-P energy: -65.259
bonds (distance) P-C4' energy: -62.650
flat angles C4'-P-C4' energy: -60.182
flat angles P-C4'-P energy: -43.547
tors. eta vs tors. theta energy: -55.071
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: 7
=====================================
Write number: 34
Temperature: 1.150000
Total energy: -379.741954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -379.741954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -379.741954 (E_RNA)
where:
Base-Base interactions energy: -159.175
where: short stacking energy: -114.419
Base-Backbone interact. energy: -1.464
local terms energy: -219.102548
where:
bonds (distance) C4'-P energy: -51.560
bonds (distance) P-C4' energy: -52.159
flat angles C4'-P-C4' energy: -65.671
flat angles P-C4'-P energy: -38.795
tors. eta vs tors. theta energy: -10.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 34
Temperature: 1.200000
Total energy: -339.797151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.797151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.797151 (E_RNA)
where:
Base-Base interactions energy: -117.076
where: short stacking energy: -95.082
Base-Backbone interact. energy: -1.268
local terms energy: -221.453276
where:
bonds (distance) C4'-P energy: -61.484
bonds (distance) P-C4' energy: -62.536
flat angles C4'-P-C4' energy: -56.123
flat angles P-C4'-P energy: -43.430
tors. eta vs tors. theta energy: 2.120
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: 9
=====================================
Write number: 34
Temperature: 1.250000
Total energy: -299.493096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.493096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.493096 (E_RNA)
where:
Base-Base interactions energy: -90.460
where: short stacking energy: -76.401
Base-Backbone interact. energy: 3.124
local terms energy: -212.157740
where:
bonds (distance) C4'-P energy: -64.100
bonds (distance) P-C4' energy: -68.125
flat angles C4'-P-C4' energy: -42.637
flat angles P-C4'-P energy: -40.264
tors. eta vs tors. theta energy: 2.969
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 34
Temperature: 1.300000
Total energy: -299.732282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.732282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.732282 (E_RNA)
where:
Base-Base interactions energy: -96.791
where: short stacking energy: -72.637
Base-Backbone interact. energy: -1.244
local terms energy: -201.697396
where:
bonds (distance) C4'-P energy: -58.054
bonds (distance) P-C4' energy: -58.652
flat angles C4'-P-C4' energy: -46.655
flat angles P-C4'-P energy: -39.375
tors. eta vs tors. theta energy: 1.038
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 34
Temperature: 1.350000
Total energy: -319.452748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.452748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.452748 (E_RNA)
where:
Base-Base interactions energy: -116.362
where: short stacking energy: -76.333
Base-Backbone interact. energy: 2.099
local terms energy: -205.189530
where:
bonds (distance) C4'-P energy: -60.580
bonds (distance) P-C4' energy: -69.735
flat angles C4'-P-C4' energy: -49.482
flat angles P-C4'-P energy: -31.088
tors. eta vs tors. theta energy: 5.695
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 35
Temperature: 0.900000
Total energy: -1003.274780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1003.274780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1003.274780 (E_RNA)
where:
Base-Base interactions energy: -653.797
where: short stacking energy: -280.420
Base-Backbone interact. energy: -2.151
local terms energy: -347.326915
where:
bonds (distance) C4'-P energy: -76.236
bonds (distance) P-C4' energy: -74.523
flat angles C4'-P-C4' energy: -74.209
flat angles P-C4'-P energy: -48.281
tors. eta vs tors. theta energy: -74.078
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 35
Temperature: 0.950000
Total energy: -828.321552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -828.321552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -828.321552 (E_RNA)
where:
Base-Base interactions energy: -522.514
where: short stacking energy: -243.128
Base-Backbone interact. energy: -3.353
local terms energy: -302.454476
where:
bonds (distance) C4'-P energy: -54.494
bonds (distance) P-C4' energy: -72.819
flat angles C4'-P-C4' energy: -65.942
flat angles P-C4'-P energy: -43.215
tors. eta vs tors. theta energy: -65.985
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 35
Temperature: 1.000000
Total energy: -759.598059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -759.598059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -759.598059 (E_RNA)
where:
Base-Base interactions energy: -445.094
where: short stacking energy: -212.625
Base-Backbone interact. energy: 0.583
local terms energy: -315.087701
where:
bonds (distance) C4'-P energy: -74.639
bonds (distance) P-C4' energy: -72.612
flat angles C4'-P-C4' energy: -69.258
flat angles P-C4'-P energy: -42.529
tors. eta vs tors. theta energy: -56.049
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 35
Temperature: 1.050000
Total energy: -770.830406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -770.830406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -770.830406 (E_RNA)
where:
Base-Base interactions energy: -478.785
where: short stacking energy: -226.469
Base-Backbone interact. energy: -0.601
local terms energy: -291.444175
where:
bonds (distance) C4'-P energy: -66.123
bonds (distance) P-C4' energy: -52.822
flat angles C4'-P-C4' energy: -55.780
flat angles P-C4'-P energy: -52.380
tors. eta vs tors. theta energy: -64.339
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: 1
=====================================
Write number: 35
Temperature: 1.100000
Total energy: -692.249512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -692.249512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -692.249512 (E_RNA)
where:
Base-Base interactions energy: -415.138
where: short stacking energy: -215.665
Base-Backbone interact. energy: 0.614
local terms energy: -277.725896
where:
bonds (distance) C4'-P energy: -56.360
bonds (distance) P-C4' energy: -59.559
flat angles C4'-P-C4' energy: -60.307
flat angles P-C4'-P energy: -46.844
tors. eta vs tors. theta energy: -54.657
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 35
Temperature: 1.150000
Total energy: -398.114942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -398.114942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -398.114942 (E_RNA)
where:
Base-Base interactions energy: -185.557
where: short stacking energy: -139.433
Base-Backbone interact. energy: -1.443
local terms energy: -211.115198
where:
bonds (distance) C4'-P energy: -48.219
bonds (distance) P-C4' energy: -67.458
flat angles C4'-P-C4' energy: -44.262
flat angles P-C4'-P energy: -33.568
tors. eta vs tors. theta energy: -17.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 35
Temperature: 1.200000
Total energy: -346.735214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.735214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.735214 (E_RNA)
where:
Base-Base interactions energy: -133.848
where: short stacking energy: -113.750
Base-Backbone interact. energy: -0.644
local terms energy: -212.243522
where:
bonds (distance) C4'-P energy: -63.786
bonds (distance) P-C4' energy: -50.556
flat angles C4'-P-C4' energy: -47.774
flat angles P-C4'-P energy: -48.118
tors. eta vs tors. theta energy: -2.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 35
Temperature: 1.250000
Total energy: -322.553339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.553339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.553339 (E_RNA)
where:
Base-Base interactions energy: -116.392
where: short stacking energy: -94.228
Base-Backbone interact. energy: 2.332
local terms energy: -208.492798
where:
bonds (distance) C4'-P energy: -61.436
bonds (distance) P-C4' energy: -61.285
flat angles C4'-P-C4' energy: -51.615
flat angles P-C4'-P energy: -31.777
tors. eta vs tors. theta energy: -2.379
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 35
Temperature: 1.300000
Total energy: -287.973760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.973760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.973760 (E_RNA)
where:
Base-Base interactions energy: -93.340
where: short stacking energy: -66.250
Base-Backbone interact. energy: 1.189
local terms energy: -195.822600
where:
bonds (distance) C4'-P energy: -59.935
bonds (distance) P-C4' energy: -64.720
flat angles C4'-P-C4' energy: -53.074
flat angles P-C4'-P energy: -30.066
tors. eta vs tors. theta energy: 11.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 35
Temperature: 1.350000
Total energy: -264.996220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.996220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.996220 (E_RNA)
where:
Base-Base interactions energy: -73.863
where: short stacking energy: -69.553
Base-Backbone interact. energy: -1.771
local terms energy: -189.361736
where:
bonds (distance) C4'-P energy: -54.321
bonds (distance) P-C4' energy: -62.643
flat angles C4'-P-C4' energy: -52.129
flat angles P-C4'-P energy: -37.028
tors. eta vs tors. theta energy: 16.759
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: 1, replica: 3
=====================================
Write number: 36
Temperature: 0.900000
Total energy: -952.896419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -952.896419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -952.896419 (E_RNA)
where:
Base-Base interactions energy: -622.302
where: short stacking energy: -274.162
Base-Backbone interact. energy: -1.319
local terms energy: -329.275300
where:
bonds (distance) C4'-P energy: -63.044
bonds (distance) P-C4' energy: -75.460
flat angles C4'-P-C4' energy: -70.162
flat angles P-C4'-P energy: -46.161
tors. eta vs tors. theta energy: -74.448
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: 5
=====================================
Write number: 36
Temperature: 0.950000
Total energy: -867.268232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -867.268232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -867.268232 (E_RNA)
where:
Base-Base interactions energy: -537.961
where: short stacking energy: -246.213
Base-Backbone interact. energy: -0.840
local terms energy: -328.467219
where:
bonds (distance) C4'-P energy: -66.143
bonds (distance) P-C4' energy: -76.070
flat angles C4'-P-C4' energy: -71.265
flat angles P-C4'-P energy: -41.055
tors. eta vs tors. theta energy: -73.935
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: 3, replica: 2
=====================================
Write number: 36
Temperature: 1.000000
Total energy: -746.374846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -746.374846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -746.374846 (E_RNA)
where:
Base-Base interactions energy: -454.844
where: short stacking energy: -233.203
Base-Backbone interact. energy: -1.320
local terms energy: -290.210807
where:
bonds (distance) C4'-P energy: -64.077
bonds (distance) P-C4' energy: -66.738
flat angles C4'-P-C4' energy: -62.827
flat angles P-C4'-P energy: -35.836
tors. eta vs tors. theta energy: -60.733
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 36
Temperature: 1.050000
Total energy: -757.147859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -757.147859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -757.147859 (E_RNA)
where:
Base-Base interactions energy: -467.970
where: short stacking energy: -218.713
Base-Backbone interact. energy: -2.478
local terms energy: -286.699755
where:
bonds (distance) C4'-P energy: -66.666
bonds (distance) P-C4' energy: -72.939
flat angles C4'-P-C4' energy: -60.512
flat angles P-C4'-P energy: -37.650
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: 1
=====================================
Write number: 36
Temperature: 1.100000
Total energy: -677.021397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -677.021397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -677.021397 (E_RNA)
where:
Base-Base interactions energy: -393.218
where: short stacking energy: -212.092
Base-Backbone interact. energy: -0.464
local terms energy: -283.339296
where:
bonds (distance) C4'-P energy: -63.449
bonds (distance) P-C4' energy: -60.861
flat angles C4'-P-C4' energy: -64.723
flat angles P-C4'-P energy: -46.217
tors. eta vs tors. theta energy: -48.090
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 36
Temperature: 1.150000
Total energy: -384.176202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -384.176202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -384.176202 (E_RNA)
where:
Base-Base interactions energy: -131.510
where: short stacking energy: -114.628
Base-Backbone interact. energy: -1.521
local terms energy: -251.145303
where:
bonds (distance) C4'-P energy: -67.214
bonds (distance) P-C4' energy: -62.075
flat angles C4'-P-C4' energy: -62.781
flat angles P-C4'-P energy: -38.798
tors. eta vs tors. theta energy: -20.276
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: 36
Temperature: 1.200000
Total energy: -349.109021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.109021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.109021 (E_RNA)
where:
Base-Base interactions energy: -157.100
where: short stacking energy: -88.513
Base-Backbone interact. energy: -0.331
local terms energy: -191.678839
where:
bonds (distance) C4'-P energy: -41.500
bonds (distance) P-C4' energy: -67.312
flat angles C4'-P-C4' energy: -54.918
flat angles P-C4'-P energy: -28.260
tors. eta vs tors. theta energy: 0.311
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: 10
=====================================
Write number: 36
Temperature: 1.250000
Total energy: -317.217736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.217736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.217736 (E_RNA)
where:
Base-Base interactions energy: -109.272
where: short stacking energy: -94.381
Base-Backbone interact. energy: -1.293
local terms energy: -206.652747
where:
bonds (distance) C4'-P energy: -55.143
bonds (distance) P-C4' energy: -55.908
flat angles C4'-P-C4' energy: -52.395
flat angles P-C4'-P energy: -38.941
tors. eta vs tors. theta energy: -4.266
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: 9, replica: 8
=====================================
Write number: 36
Temperature: 1.300000
Total energy: -294.088843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.088843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.088843 (E_RNA)
where:
Base-Base interactions energy: -125.067
where: short stacking energy: -82.398
Base-Backbone interact. energy: -0.957
local terms energy: -168.065567
where:
bonds (distance) C4'-P energy: -51.230
bonds (distance) P-C4' energy: -54.672
flat angles C4'-P-C4' energy: -41.582
flat angles P-C4'-P energy: -23.512
tors. eta vs tors. theta energy: 2.931
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 36
Temperature: 1.350000
Total energy: -267.210367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.210367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.210367 (E_RNA)
where:
Base-Base interactions energy: -87.366
where: short stacking energy: -61.736
Base-Backbone interact. energy: -1.737
local terms energy: -178.107323
where:
bonds (distance) C4'-P energy: -55.887
bonds (distance) P-C4' energy: -63.629
flat angles C4'-P-C4' energy: -38.825
flat angles P-C4'-P energy: -25.699
tors. eta vs tors. theta energy: 5.933
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 37
Temperature: 0.900000
Total energy: -948.389540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -948.389540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -948.389540 (E_RNA)
where:
Base-Base interactions energy: -613.032
where: short stacking energy: -281.447
Base-Backbone interact. energy: -1.703
local terms energy: -333.654244
where:
bonds (distance) C4'-P energy: -71.088
bonds (distance) P-C4' energy: -71.985
flat angles C4'-P-C4' energy: -68.578
flat angles P-C4'-P energy: -52.595
tors. eta vs tors. theta energy: -69.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 37
Temperature: 0.950000
Total energy: -871.143858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -871.143858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -871.143858 (E_RNA)
where:
Base-Base interactions energy: -549.119
where: short stacking energy: -268.433
Base-Backbone interact. energy: 1.232
local terms energy: -323.256611
where:
bonds (distance) C4'-P energy: -68.394
bonds (distance) P-C4' energy: -55.568
flat angles C4'-P-C4' energy: -79.667
flat angles P-C4'-P energy: -47.613
tors. eta vs tors. theta energy: -72.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 37
Temperature: 1.000000
Total energy: -747.980127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -747.980127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -747.980127 (E_RNA)
where:
Base-Base interactions energy: -454.921
where: short stacking energy: -193.858
Base-Backbone interact. energy: 0.116
local terms energy: -293.175292
where:
bonds (distance) C4'-P energy: -61.852
bonds (distance) P-C4' energy: -69.363
flat angles C4'-P-C4' energy: -65.126
flat angles P-C4'-P energy: -48.881
tors. eta vs tors. theta energy: -47.954
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 37
Temperature: 1.050000
Total energy: -811.103610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -811.103610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -811.103610 (E_RNA)
where:
Base-Base interactions energy: -506.216
where: short stacking energy: -219.408
Base-Backbone interact. energy: -2.817
local terms energy: -302.070893
where:
bonds (distance) C4'-P energy: -73.488
bonds (distance) P-C4' energy: -70.098
flat angles C4'-P-C4' energy: -59.037
flat angles P-C4'-P energy: -45.083
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: 5, replica: 1
=====================================
Write number: 37
Temperature: 1.100000
Total energy: -651.629283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -651.629283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -651.629283 (E_RNA)
where:
Base-Base interactions energy: -377.191
where: short stacking energy: -199.586
Base-Backbone interact. energy: -0.625
local terms energy: -273.813140
where:
bonds (distance) C4'-P energy: -58.704
bonds (distance) P-C4' energy: -69.420
flat angles C4'-P-C4' energy: -67.407
flat angles P-C4'-P energy: -33.681
tors. eta vs tors. theta energy: -44.601
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: 7
=====================================
Write number: 37
Temperature: 1.150000
Total energy: -370.076035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.076035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.076035 (E_RNA)
where:
Base-Base interactions energy: -145.773
where: short stacking energy: -142.128
Base-Backbone interact. energy: -1.054
local terms energy: -223.248357
where:
bonds (distance) C4'-P energy: -48.598
bonds (distance) P-C4' energy: -68.518
flat angles C4'-P-C4' energy: -49.933
flat angles P-C4'-P energy: -37.134
tors. eta vs tors. theta energy: -19.066
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: 9
=====================================
Write number: 37
Temperature: 1.200000
Total energy: -344.882317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.882317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.882317 (E_RNA)
where:
Base-Base interactions energy: -117.135
where: short stacking energy: -84.892
Base-Backbone interact. energy: -1.518
local terms energy: -226.229040
where:
bonds (distance) C4'-P energy: -66.716
bonds (distance) P-C4' energy: -71.396
flat angles C4'-P-C4' energy: -53.236
flat angles P-C4'-P energy: -39.787
tors. eta vs tors. theta energy: 4.906
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: 8
=====================================
Write number: 37
Temperature: 1.250000
Total energy: -322.525741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.525741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.525741 (E_RNA)
where:
Base-Base interactions energy: -97.969
where: short stacking energy: -83.624
Base-Backbone interact. energy: -0.222
local terms energy: -224.334664
where:
bonds (distance) C4'-P energy: -71.541
bonds (distance) P-C4' energy: -62.162
flat angles C4'-P-C4' energy: -49.915
flat angles P-C4'-P energy: -37.154
tors. eta vs tors. theta energy: -3.562
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 37
Temperature: 1.300000
Total energy: -287.405630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.405630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.405630 (E_RNA)
where:
Base-Base interactions energy: -104.779
where: short stacking energy: -80.202
Base-Backbone interact. energy: -1.158
local terms energy: -181.468911
where:
bonds (distance) C4'-P energy: -57.064
bonds (distance) P-C4' energy: -59.209
flat angles C4'-P-C4' energy: -46.604
flat angles P-C4'-P energy: -27.503
tors. eta vs tors. theta energy: 8.911
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 37
Temperature: 1.350000
Total energy: -270.339795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.339795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.339795 (E_RNA)
where:
Base-Base interactions energy: -92.246
where: short stacking energy: -80.739
Base-Backbone interact. energy: 1.295
local terms energy: -179.389354
where:
bonds (distance) C4'-P energy: -58.634
bonds (distance) P-C4' energy: -48.843
flat angles C4'-P-C4' energy: -54.511
flat angles P-C4'-P energy: -28.913
tors. eta vs tors. theta energy: 11.511
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 38
Temperature: 0.900000
Total energy: -973.539104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -973.539104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -973.539104 (E_RNA)
where:
Base-Base interactions energy: -637.536
where: short stacking energy: -279.532
Base-Backbone interact. energy: -2.608
local terms energy: -333.394782
where:
bonds (distance) C4'-P energy: -73.276
bonds (distance) P-C4' energy: -77.621
flat angles C4'-P-C4' energy: -69.178
flat angles P-C4'-P energy: -40.745
tors. eta vs tors. theta energy: -72.575
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: 5
=====================================
Write number: 38
Temperature: 0.950000
Total energy: -903.444463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -903.444463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -903.444463 (E_RNA)
where:
Base-Base interactions energy: -568.642
where: short stacking energy: -284.529
Base-Backbone interact. energy: -1.339
local terms energy: -333.463715
where:
bonds (distance) C4'-P energy: -73.406
bonds (distance) P-C4' energy: -70.921
flat angles C4'-P-C4' energy: -63.300
flat angles P-C4'-P energy: -49.085
tors. eta vs tors. theta energy: -76.752
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 38
Temperature: 1.000000
Total energy: -846.533621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -846.533621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -846.533621 (E_RNA)
where:
Base-Base interactions energy: -538.274
where: short stacking energy: -240.811
Base-Backbone interact. energy: -5.656
local terms energy: -302.603795
where:
bonds (distance) C4'-P energy: -63.772
bonds (distance) P-C4' energy: -65.296
flat angles C4'-P-C4' energy: -70.548
flat angles P-C4'-P energy: -39.793
tors. eta vs tors. theta energy: -63.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 38
Temperature: 1.050000
Total energy: -706.980757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -706.980757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -706.980757 (E_RNA)
where:
Base-Base interactions energy: -419.589
where: short stacking energy: -210.285
Base-Backbone interact. energy: -1.116
local terms energy: -286.275811
where:
bonds (distance) C4'-P energy: -66.602
bonds (distance) P-C4' energy: -69.154
flat angles C4'-P-C4' energy: -60.035
flat angles P-C4'-P energy: -50.093
tors. eta vs tors. theta energy: -40.392
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: 1
=====================================
Write number: 38
Temperature: 1.100000
Total energy: -665.369313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -665.369313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -665.369313 (E_RNA)
where:
Base-Base interactions energy: -373.856
where: short stacking energy: -189.773
Base-Backbone interact. energy: -0.877
local terms energy: -290.635784
where:
bonds (distance) C4'-P energy: -64.795
bonds (distance) P-C4' energy: -76.820
flat angles C4'-P-C4' energy: -64.301
flat angles P-C4'-P energy: -28.390
tors. eta vs tors. theta energy: -56.330
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 38
Temperature: 1.150000
Total energy: -354.234697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.234697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.234697 (E_RNA)
where:
Base-Base interactions energy: -136.597
where: short stacking energy: -120.791
Base-Backbone interact. energy: -1.065
local terms energy: -216.572961
where:
bonds (distance) C4'-P energy: -47.065
bonds (distance) P-C4' energy: -66.276
flat angles C4'-P-C4' energy: -47.233
flat angles P-C4'-P energy: -38.071
tors. eta vs tors. theta energy: -17.928
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 38
Temperature: 1.200000
Total energy: -369.007615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.007615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.007615 (E_RNA)
where:
Base-Base interactions energy: -138.939
where: short stacking energy: -109.068
Base-Backbone interact. energy: -1.654
local terms energy: -228.414835
where:
bonds (distance) C4'-P energy: -54.325
bonds (distance) P-C4' energy: -67.690
flat angles C4'-P-C4' energy: -68.686
flat angles P-C4'-P energy: -33.457
tors. eta vs tors. theta energy: -4.256
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: 9
=====================================
Write number: 38
Temperature: 1.250000
Total energy: -400.960022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -400.960022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -400.960022 (E_RNA)
where:
Base-Base interactions energy: -205.596
where: short stacking energy: -101.577
Base-Backbone interact. energy: -0.937
local terms energy: -194.427440
where:
bonds (distance) C4'-P energy: -68.253
bonds (distance) P-C4' energy: -58.246
flat angles C4'-P-C4' energy: -38.192
flat angles P-C4'-P energy: -23.613
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: 38
Temperature: 1.300000
Total energy: -298.575791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.575791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.575791 (E_RNA)
where:
Base-Base interactions energy: -114.293
where: short stacking energy: -77.142
Base-Backbone interact. energy: -1.775
local terms energy: -182.508072
where:
bonds (distance) C4'-P energy: -66.308
bonds (distance) P-C4' energy: -54.064
flat angles C4'-P-C4' energy: -41.369
flat angles P-C4'-P energy: -31.245
tors. eta vs tors. theta energy: 10.479
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 38
Temperature: 1.350000
Total energy: -269.665601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.665601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.665601 (E_RNA)
where:
Base-Base interactions energy: -94.412
where: short stacking energy: -66.322
Base-Backbone interact. energy: 0.316
local terms energy: -175.569818
where:
bonds (distance) C4'-P energy: -54.105
bonds (distance) P-C4' energy: -59.155
flat angles C4'-P-C4' energy: -59.824
flat angles P-C4'-P energy: -18.604
tors. eta vs tors. theta energy: 16.119
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 39
Temperature: 0.900000
Total energy: -956.381347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -956.381347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -956.381347 (E_RNA)
where:
Base-Base interactions energy: -599.333
where: short stacking energy: -283.926
Base-Backbone interact. energy: -1.767
local terms energy: -355.282051
where:
bonds (distance) C4'-P energy: -74.241
bonds (distance) P-C4' energy: -63.999
flat angles C4'-P-C4' energy: -78.844
flat angles P-C4'-P energy: -57.661
tors. eta vs tors. theta energy: -80.537
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 39
Temperature: 0.950000
Total energy: -914.006325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -914.006325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -914.006325 (E_RNA)
where:
Base-Base interactions energy: -567.446
where: short stacking energy: -281.430
Base-Backbone interact. energy: -1.851
local terms energy: -344.708933
where:
bonds (distance) C4'-P energy: -70.344
bonds (distance) P-C4' energy: -72.071
flat angles C4'-P-C4' energy: -68.011
flat angles P-C4'-P energy: -57.494
tors. eta vs tors. theta energy: -76.789
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 39
Temperature: 1.000000
Total energy: -869.500406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -869.500406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -869.500406 (E_RNA)
where:
Base-Base interactions energy: -558.239
where: short stacking energy: -235.902
Base-Backbone interact. energy: -4.209
local terms energy: -307.052275
where:
bonds (distance) C4'-P energy: -73.900
bonds (distance) P-C4' energy: -66.198
flat angles C4'-P-C4' energy: -57.268
flat angles P-C4'-P energy: -45.790
tors. eta vs tors. theta energy: -63.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 39
Temperature: 1.050000
Total energy: -763.556591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -763.556591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -763.556591 (E_RNA)
where:
Base-Base interactions energy: -458.070
where: short stacking energy: -221.617
Base-Backbone interact. energy: 0.403
local terms energy: -305.889484
where:
bonds (distance) C4'-P energy: -58.418
bonds (distance) P-C4' energy: -67.288
flat angles C4'-P-C4' energy: -71.131
flat angles P-C4'-P energy: -45.463
tors. eta vs tors. theta energy: -63.590
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: 1
=====================================
Write number: 39
Temperature: 1.100000
Total energy: -680.510547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -680.510547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -680.510547 (E_RNA)
where:
Base-Base interactions energy: -389.679
where: short stacking energy: -208.334
Base-Backbone interact. energy: -0.492
local terms energy: -290.339276
where:
bonds (distance) C4'-P energy: -65.101
bonds (distance) P-C4' energy: -75.990
flat angles C4'-P-C4' energy: -59.956
flat angles P-C4'-P energy: -41.256
tors. eta vs tors. theta energy: -48.035
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: 6, replica: 8
=====================================
Write number: 39
Temperature: 1.150000
Total energy: -361.090580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.090580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.090580 (E_RNA)
where:
Base-Base interactions energy: -131.647
where: short stacking energy: -102.838
Base-Backbone interact. energy: -2.300
local terms energy: -227.143593
where:
bonds (distance) C4'-P energy: -70.753
bonds (distance) P-C4' energy: -65.048
flat angles C4'-P-C4' energy: -54.757
flat angles P-C4'-P energy: -36.791
tors. eta vs tors. theta energy: 0.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 39
Temperature: 1.200000
Total energy: -360.530535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.530535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.530535 (E_RNA)
where:
Base-Base interactions energy: -131.058
where: short stacking energy: -106.117
Base-Backbone interact. energy: -0.005
local terms energy: -229.466816
where:
bonds (distance) C4'-P energy: -58.728
bonds (distance) P-C4' energy: -65.984
flat angles C4'-P-C4' energy: -58.202
flat angles P-C4'-P energy: -43.189
tors. eta vs tors. theta energy: -3.363
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 39
Temperature: 1.250000
Total energy: -327.763411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.763411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.763411 (E_RNA)
where:
Base-Base interactions energy: -98.072
where: short stacking energy: -97.999
Base-Backbone interact. energy: -1.148
local terms energy: -228.543424
where:
bonds (distance) C4'-P energy: -62.317
bonds (distance) P-C4' energy: -65.389
flat angles C4'-P-C4' energy: -53.003
flat angles P-C4'-P energy: -38.045
tors. eta vs tors. theta energy: -9.790
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 39
Temperature: 1.300000
Total energy: -307.215363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.215363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.215363 (E_RNA)
where:
Base-Base interactions energy: -106.229
where: short stacking energy: -70.137
Base-Backbone interact. energy: -1.571
local terms energy: -199.415350
where:
bonds (distance) C4'-P energy: -63.739
bonds (distance) P-C4' energy: -71.631
flat angles C4'-P-C4' energy: -48.978
flat angles P-C4'-P energy: -31.099
tors. eta vs tors. theta energy: 16.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 39
Temperature: 1.350000
Total energy: -270.514518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.514518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.514518 (E_RNA)
where:
Base-Base interactions energy: -81.709
where: short stacking energy: -60.994
Base-Backbone interact. energy: -1.987
local terms energy: -186.818637
where:
bonds (distance) C4'-P energy: -70.134
bonds (distance) P-C4' energy: -60.574
flat angles C4'-P-C4' energy: -42.108
flat angles P-C4'-P energy: -30.494
tors. eta vs tors. theta energy: 16.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 40
Temperature: 0.900000
Total energy: -987.555269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -987.555269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -987.555269 (E_RNA)
where:
Base-Base interactions energy: -650.462
where: short stacking energy: -296.967
Base-Backbone interact. energy: -2.510
local terms energy: -334.583318
where:
bonds (distance) C4'-P energy: -70.834
bonds (distance) P-C4' energy: -68.304
flat angles C4'-P-C4' energy: -64.721
flat angles P-C4'-P energy: -43.997
tors. eta vs tors. theta energy: -86.729
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 40
Temperature: 0.950000
Total energy: -895.040646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -895.040646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -895.040646 (E_RNA)
where:
Base-Base interactions energy: -561.819
where: short stacking energy: -273.856
Base-Backbone interact. energy: -1.071
local terms energy: -332.150560
where:
bonds (distance) C4'-P energy: -62.653
bonds (distance) P-C4' energy: -59.873
flat angles C4'-P-C4' energy: -74.952
flat angles P-C4'-P energy: -50.588
tors. eta vs tors. theta energy: -84.085
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: 4
=====================================
Write number: 40
Temperature: 1.000000
Total energy: -904.437631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -904.437631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -904.437631 (E_RNA)
where:
Base-Base interactions energy: -582.938
where: short stacking energy: -270.581
Base-Backbone interact. energy: 1.681
local terms energy: -323.180219
where:
bonds (distance) C4'-P energy: -62.580
bonds (distance) P-C4' energy: -70.191
flat angles C4'-P-C4' energy: -60.868
flat angles P-C4'-P energy: -45.004
tors. eta vs tors. theta energy: -84.537
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 40
Temperature: 1.050000
Total energy: -691.223153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -691.223153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -691.223153 (E_RNA)
where:
Base-Base interactions energy: -372.595
where: short stacking energy: -223.783
Base-Backbone interact. energy: -0.786
local terms energy: -317.842574
where:
bonds (distance) C4'-P energy: -76.642
bonds (distance) P-C4' energy: -64.782
flat angles C4'-P-C4' energy: -69.961
flat angles P-C4'-P energy: -46.478
tors. eta vs tors. theta energy: -59.981
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: 1
=====================================
Write number: 40
Temperature: 1.100000
Total energy: -662.223364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -662.223364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -662.223364 (E_RNA)
where:
Base-Base interactions energy: -374.446
where: short stacking energy: -195.916
Base-Backbone interact. energy: 4.812
local terms energy: -292.588619
where:
bonds (distance) C4'-P energy: -67.686
bonds (distance) P-C4' energy: -68.051
flat angles C4'-P-C4' energy: -65.993
flat angles P-C4'-P energy: -42.563
tors. eta vs tors. theta energy: -48.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 40
Temperature: 1.150000
Total energy: -372.839297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -372.839297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -372.839297 (E_RNA)
where:
Base-Base interactions energy: -124.615
where: short stacking energy: -101.130
Base-Backbone interact. energy: 2.059
local terms energy: -250.283106
where:
bonds (distance) C4'-P energy: -62.880
bonds (distance) P-C4' energy: -75.548
flat angles C4'-P-C4' energy: -67.797
flat angles P-C4'-P energy: -41.840
tors. eta vs tors. theta energy: -2.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 40
Temperature: 1.200000
Total energy: -357.137521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.137521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.137521 (E_RNA)
where:
Base-Base interactions energy: -146.938
where: short stacking energy: -117.812
Base-Backbone interact. energy: 2.411
local terms energy: -212.610027
where:
bonds (distance) C4'-P energy: -53.948
bonds (distance) P-C4' energy: -61.560
flat angles C4'-P-C4' energy: -54.272
flat angles P-C4'-P energy: -34.748
tors. eta vs tors. theta energy: -8.081
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 40
Temperature: 1.250000
Total energy: -312.367187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.367187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.367187 (E_RNA)
where:
Base-Base interactions energy: -114.691
where: short stacking energy: -80.297
Base-Backbone interact. energy: -0.245
local terms energy: -197.431094
where:
bonds (distance) C4'-P energy: -56.598
bonds (distance) P-C4' energy: -62.627
flat angles C4'-P-C4' energy: -59.346
flat angles P-C4'-P energy: -25.667
tors. eta vs tors. theta energy: 6.808
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: 40
Temperature: 1.300000
Total energy: -282.281751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.281751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.281751 (E_RNA)
where:
Base-Base interactions energy: -116.807
where: short stacking energy: -84.891
Base-Backbone interact. energy: 4.755
local terms energy: -170.229424
where:
bonds (distance) C4'-P energy: -52.480
bonds (distance) P-C4' energy: -60.449
flat angles C4'-P-C4' energy: -45.182
flat angles P-C4'-P energy: -25.998
tors. eta vs tors. theta energy: 13.879
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: 9
=====================================
Write number: 40
Temperature: 1.350000
Total energy: -268.351995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.351995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.351995 (E_RNA)
where:
Base-Base interactions energy: -76.054
where: short stacking energy: -69.049
Base-Backbone interact. energy: 0.536
local terms energy: -192.833468
where:
bonds (distance) C4'-P energy: -56.717
bonds (distance) P-C4' energy: -62.962
flat angles C4'-P-C4' energy: -50.766
flat angles P-C4'-P energy: -33.946
tors. eta vs tors. theta energy: 11.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 41
Temperature: 0.900000
Total energy: -1000.844008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1000.844008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1000.844008 (E_RNA)
where:
Base-Base interactions energy: -648.752
where: short stacking energy: -296.419
Base-Backbone interact. energy: -0.014
local terms energy: -352.078351
where:
bonds (distance) C4'-P energy: -74.184
bonds (distance) P-C4' energy: -71.477
flat angles C4'-P-C4' energy: -73.532
flat angles P-C4'-P energy: -46.328
tors. eta vs tors. theta energy: -86.557
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 41
Temperature: 0.950000
Total energy: -889.220230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -889.220230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -889.220230 (E_RNA)
where:
Base-Base interactions energy: -561.754
where: short stacking energy: -244.011
Base-Backbone interact. energy: -1.460
local terms energy: -326.005956
where:
bonds (distance) C4'-P energy: -75.128
bonds (distance) P-C4' energy: -78.592
flat angles C4'-P-C4' energy: -72.717
flat angles P-C4'-P energy: -27.706
tors. eta vs tors. theta energy: -71.864
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: 4
=====================================
Write number: 41
Temperature: 1.000000
Total energy: -900.211217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -900.211217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -900.211217 (E_RNA)
where:
Base-Base interactions energy: -573.480
where: short stacking energy: -255.532
Base-Backbone interact. energy: -1.013
local terms energy: -325.718201
where:
bonds (distance) C4'-P energy: -55.903
bonds (distance) P-C4' energy: -62.819
flat angles C4'-P-C4' energy: -73.519
flat angles P-C4'-P energy: -49.057
tors. eta vs tors. theta energy: -84.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 41
Temperature: 1.050000
Total energy: -728.499445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -728.499445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -728.499445 (E_RNA)
where:
Base-Base interactions energy: -435.228
where: short stacking energy: -214.066
Base-Backbone interact. energy: -1.912
local terms energy: -291.358812
where:
bonds (distance) C4'-P energy: -59.395
bonds (distance) P-C4' energy: -64.239
flat angles C4'-P-C4' energy: -65.120
flat angles P-C4'-P energy: -53.337
tors. eta vs tors. theta energy: -49.268
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 41
Temperature: 1.100000
Total energy: -650.767397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -650.767397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -650.767397 (E_RNA)
where:
Base-Base interactions energy: -373.346
where: short stacking energy: -180.501
Base-Backbone interact. energy: -2.035
local terms energy: -275.386327
where:
bonds (distance) C4'-P energy: -56.510
bonds (distance) P-C4' energy: -65.408
flat angles C4'-P-C4' energy: -71.094
flat angles P-C4'-P energy: -46.592
tors. eta vs tors. theta energy: -35.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 41
Temperature: 1.150000
Total energy: -370.138258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.138258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.138258 (E_RNA)
where:
Base-Base interactions energy: -150.715
where: short stacking energy: -133.718
Base-Backbone interact. energy: -1.249
local terms energy: -218.173573
where:
bonds (distance) C4'-P energy: -49.757
bonds (distance) P-C4' energy: -57.243
flat angles C4'-P-C4' energy: -60.417
flat angles P-C4'-P energy: -35.398
tors. eta vs tors. theta energy: -15.358
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 41
Temperature: 1.200000
Total energy: -351.313147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.313147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.313147 (E_RNA)
where:
Base-Base interactions energy: -149.416
where: short stacking energy: -106.897
Base-Backbone interact. energy: 1.248
local terms energy: -203.145478
where:
bonds (distance) C4'-P energy: -49.413
bonds (distance) P-C4' energy: -58.691
flat angles C4'-P-C4' energy: -58.145
flat angles P-C4'-P energy: -32.576
tors. eta vs tors. theta energy: -4.320
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 41
Temperature: 1.250000
Total energy: -339.648530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.648530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.648530 (E_RNA)
where:
Base-Base interactions energy: -152.244
where: short stacking energy: -96.582
Base-Backbone interact. energy: -0.815
local terms energy: -186.589246
where:
bonds (distance) C4'-P energy: -55.529
bonds (distance) P-C4' energy: -63.106
flat angles C4'-P-C4' energy: -46.084
flat angles P-C4'-P energy: -21.426
tors. eta vs tors. theta energy: -0.444
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: 10
=====================================
Write number: 41
Temperature: 1.300000
Total energy: -294.905803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.905803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.905803 (E_RNA)
where:
Base-Base interactions energy: -104.348
where: short stacking energy: -77.012
Base-Backbone interact. energy: -0.219
local terms energy: -190.338757
where:
bonds (distance) C4'-P energy: -42.337
bonds (distance) P-C4' energy: -71.797
flat angles C4'-P-C4' energy: -54.940
flat angles P-C4'-P energy: -29.038
tors. eta vs tors. theta energy: 7.773
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 41
Temperature: 1.350000
Total energy: -270.430751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.430751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.430751 (E_RNA)
where:
Base-Base interactions energy: -89.761
where: short stacking energy: -74.503
Base-Backbone interact. energy: 1.587
local terms energy: -182.256809
where:
bonds (distance) C4'-P energy: -58.378
bonds (distance) P-C4' energy: -59.303
flat angles C4'-P-C4' energy: -37.040
flat angles P-C4'-P energy: -36.083
tors. eta vs tors. theta energy: 8.548
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: 5
=====================================
Write number: 42
Temperature: 0.900000
Total energy: -960.374974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -960.374974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -960.374974 (E_RNA)
where:
Base-Base interactions energy: -602.684
where: short stacking energy: -300.540
Base-Backbone interact. energy: -0.496
local terms energy: -357.194610
where:
bonds (distance) C4'-P energy: -79.022
bonds (distance) P-C4' energy: -72.292
flat angles C4'-P-C4' energy: -79.394
flat angles P-C4'-P energy: -46.847
tors. eta vs tors. theta energy: -79.639
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: 42
Temperature: 0.950000
Total energy: -954.725417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -954.725417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -954.725417 (E_RNA)
where:
Base-Base interactions energy: -622.599
where: short stacking energy: -278.846
Base-Backbone interact. energy: 1.261
local terms energy: -333.387008
where:
bonds (distance) C4'-P energy: -66.691
bonds (distance) P-C4' energy: -70.223
flat angles C4'-P-C4' energy: -70.005
flat angles P-C4'-P energy: -45.899
tors. eta vs tors. theta energy: -80.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 42
Temperature: 1.000000
Total energy: -865.484036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -865.484036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -865.484036 (E_RNA)
where:
Base-Base interactions energy: -538.051
where: short stacking energy: -251.616
Base-Backbone interact. energy: -1.221
local terms energy: -326.212095
where:
bonds (distance) C4'-P energy: -69.494
bonds (distance) P-C4' energy: -57.987
flat angles C4'-P-C4' energy: -78.061
flat angles P-C4'-P energy: -48.119
tors. eta vs tors. theta energy: -72.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 42
Temperature: 1.050000
Total energy: -717.210846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -717.210846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -717.210846 (E_RNA)
where:
Base-Base interactions energy: -424.082
where: short stacking energy: -242.091
Base-Backbone interact. energy: 1.326
local terms energy: -294.454618
where:
bonds (distance) C4'-P energy: -65.023
bonds (distance) P-C4' energy: -66.554
flat angles C4'-P-C4' energy: -67.383
flat angles P-C4'-P energy: -35.418
tors. eta vs tors. theta energy: -60.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 42
Temperature: 1.100000
Total energy: -648.817867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -648.817867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -648.817867 (E_RNA)
where:
Base-Base interactions energy: -381.358
where: short stacking energy: -188.251
Base-Backbone interact. energy: 2.500
local terms energy: -269.960034
where:
bonds (distance) C4'-P energy: -54.220
bonds (distance) P-C4' energy: -64.740
flat angles C4'-P-C4' energy: -66.915
flat angles P-C4'-P energy: -50.500
tors. eta vs tors. theta energy: -33.585
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 42
Temperature: 1.150000
Total energy: -396.933082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -396.933082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -396.933082 (E_RNA)
where:
Base-Base interactions energy: -148.743
where: short stacking energy: -119.868
Base-Backbone interact. energy: -1.169
local terms energy: -247.021291
where:
bonds (distance) C4'-P energy: -62.449
bonds (distance) P-C4' energy: -72.624
flat angles C4'-P-C4' energy: -73.547
flat angles P-C4'-P energy: -31.706
tors. eta vs tors. theta energy: -6.695
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: 8
=====================================
Write number: 42
Temperature: 1.200000
Total energy: -333.673955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.673955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.673955 (E_RNA)
where:
Base-Base interactions energy: -121.307
where: short stacking energy: -93.040
Base-Backbone interact. energy: 3.289
local terms energy: -215.655459
where:
bonds (distance) C4'-P energy: -51.967
bonds (distance) P-C4' energy: -71.128
flat angles C4'-P-C4' energy: -61.221
flat angles P-C4'-P energy: -36.466
tors. eta vs tors. theta energy: 5.127
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: 42
Temperature: 1.250000
Total energy: -361.444723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.444723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.444723 (E_RNA)
where:
Base-Base interactions energy: -137.665
where: short stacking energy: -95.688
Base-Backbone interact. energy: -0.991
local terms energy: -222.789548
where:
bonds (distance) C4'-P energy: -76.672
bonds (distance) P-C4' energy: -63.727
flat angles C4'-P-C4' energy: -57.866
flat angles P-C4'-P energy: -26.971
tors. eta vs tors. theta energy: 2.446
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 42
Temperature: 1.300000
Total energy: -287.245680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.245680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.245680 (E_RNA)
where:
Base-Base interactions energy: -86.222
where: short stacking energy: -71.866
Base-Backbone interact. energy: 0.455
local terms energy: -201.478810
where:
bonds (distance) C4'-P energy: -61.385
bonds (distance) P-C4' energy: -58.485
flat angles C4'-P-C4' energy: -59.418
flat angles P-C4'-P energy: -31.523
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: 10, replica: 10
=====================================
Write number: 42
Temperature: 1.350000
Total energy: -284.628222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.628222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.628222 (E_RNA)
where:
Base-Base interactions energy: -90.396
where: short stacking energy: -81.805
Base-Backbone interact. energy: -0.824
local terms energy: -193.408605
where:
bonds (distance) C4'-P energy: -53.488
bonds (distance) P-C4' energy: -64.866
flat angles C4'-P-C4' energy: -57.175
flat angles P-C4'-P energy: -23.856
tors. eta vs tors. theta energy: 5.976
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 43
Temperature: 0.900000
Total energy: -947.733942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -947.733942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -947.733942 (E_RNA)
where:
Base-Base interactions energy: -625.311
where: short stacking energy: -280.781
Base-Backbone interact. energy: -1.031
local terms energy: -321.392230
where:
bonds (distance) C4'-P energy: -58.867
bonds (distance) P-C4' energy: -73.457
flat angles C4'-P-C4' energy: -66.397
flat angles P-C4'-P energy: -40.876
tors. eta vs tors. theta energy: -81.795
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: 3
=====================================
Write number: 43
Temperature: 0.950000
Total energy: -964.277817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -964.277817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -964.277817 (E_RNA)
where:
Base-Base interactions energy: -633.842
where: short stacking energy: -285.265
Base-Backbone interact. energy: -4.866
local terms energy: -325.569703
where:
bonds (distance) C4'-P energy: -65.553
bonds (distance) P-C4' energy: -67.912
flat angles C4'-P-C4' energy: -67.825
flat angles P-C4'-P energy: -36.509
tors. eta vs tors. theta energy: -87.771
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: 4
=====================================
Write number: 43
Temperature: 1.000000
Total energy: -905.254632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -905.254632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -905.254632 (E_RNA)
where:
Base-Base interactions energy: -578.387
where: short stacking energy: -264.898
Base-Backbone interact. energy: -1.257
local terms energy: -325.610420
where:
bonds (distance) C4'-P energy: -60.343
bonds (distance) P-C4' energy: -63.978
flat angles C4'-P-C4' energy: -70.643
flat angles P-C4'-P energy: -52.629
tors. eta vs tors. theta energy: -78.018
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: 43
Temperature: 1.050000
Total energy: -724.781666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -724.781666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -724.781666 (E_RNA)
where:
Base-Base interactions energy: -433.402
where: short stacking energy: -221.751
Base-Backbone interact. energy: 1.832
local terms energy: -293.211625
where:
bonds (distance) C4'-P energy: -54.161
bonds (distance) P-C4' energy: -68.267
flat angles C4'-P-C4' energy: -66.786
flat angles P-C4'-P energy: -44.538
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: 5, replica: 2
=====================================
Write number: 43
Temperature: 1.100000
Total energy: -644.181167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -644.181167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -644.181167 (E_RNA)
where:
Base-Base interactions energy: -401.143
where: short stacking energy: -186.606
Base-Backbone interact. energy: -0.306
local terms energy: -242.732664
where:
bonds (distance) C4'-P energy: -51.424
bonds (distance) P-C4' energy: -60.238
flat angles C4'-P-C4' energy: -69.226
flat angles P-C4'-P energy: -27.544
tors. eta vs tors. theta energy: -34.301
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: 8
=====================================
Write number: 43
Temperature: 1.150000
Total energy: -419.010418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.010418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.010418 (E_RNA)
where:
Base-Base interactions energy: -179.773
where: short stacking energy: -116.549
Base-Backbone interact. energy: -1.375
local terms energy: -237.862392
where:
bonds (distance) C4'-P energy: -65.319
bonds (distance) P-C4' energy: -65.321
flat angles C4'-P-C4' energy: -55.414
flat angles P-C4'-P energy: -40.191
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: 7, replica: 6
=====================================
Write number: 43
Temperature: 1.200000
Total energy: -341.442322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.442322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.442322 (E_RNA)
where:
Base-Base interactions energy: -124.456
where: short stacking energy: -95.095
Base-Backbone interact. energy: 0.309
local terms energy: -217.294966
where:
bonds (distance) C4'-P energy: -70.639
bonds (distance) P-C4' energy: -61.961
flat angles C4'-P-C4' energy: -52.570
flat angles P-C4'-P energy: -35.784
tors. eta vs tors. theta energy: 3.659
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 43
Temperature: 1.250000
Total energy: -302.185839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.185839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.185839 (E_RNA)
where:
Base-Base interactions energy: -119.214
where: short stacking energy: -92.065
Base-Backbone interact. energy: 0.858
local terms energy: -183.829736
where:
bonds (distance) C4'-P energy: -43.873
bonds (distance) P-C4' energy: -53.993
flat angles C4'-P-C4' energy: -47.932
flat angles P-C4'-P energy: -43.112
tors. eta vs tors. theta energy: 5.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 43
Temperature: 1.300000
Total energy: -331.342543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.342543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.342543 (E_RNA)
where:
Base-Base interactions energy: -155.212
where: short stacking energy: -89.324
Base-Backbone interact. energy: -1.620
local terms energy: -174.510952
where:
bonds (distance) C4'-P energy: -52.422
bonds (distance) P-C4' energy: -57.857
flat angles C4'-P-C4' energy: -46.152
flat angles P-C4'-P energy: -20.149
tors. eta vs tors. theta energy: 2.068
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: 10, replica: 10
=====================================
Write number: 43
Temperature: 1.350000
Total energy: -278.518562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.518562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.518562 (E_RNA)
where:
Base-Base interactions energy: -95.727
where: short stacking energy: -80.048
Base-Backbone interact. energy: -0.974
local terms energy: -181.817574
where:
bonds (distance) C4'-P energy: -53.010
bonds (distance) P-C4' energy: -57.323
flat angles C4'-P-C4' energy: -49.142
flat angles P-C4'-P energy: -29.057
tors. eta vs tors. theta energy: 6.714
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 44
Temperature: 0.900000
Total energy: -947.524949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -947.524949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -947.524949 (E_RNA)
where:
Base-Base interactions energy: -612.922
where: short stacking energy: -272.009
Base-Backbone interact. energy: -0.682
local terms energy: -333.920561
where:
bonds (distance) C4'-P energy: -69.883
bonds (distance) P-C4' energy: -75.069
flat angles C4'-P-C4' energy: -63.284
flat angles P-C4'-P energy: -47.778
tors. eta vs tors. theta energy: -77.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 44
Temperature: 0.950000
Total energy: -931.066078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -931.066078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -931.066078 (E_RNA)
where:
Base-Base interactions energy: -600.189
where: short stacking energy: -263.854
Base-Backbone interact. energy: -2.580
local terms energy: -328.296601
where:
bonds (distance) C4'-P energy: -63.465
bonds (distance) P-C4' energy: -65.505
flat angles C4'-P-C4' energy: -72.292
flat angles P-C4'-P energy: -43.642
tors. eta vs tors. theta energy: -83.392
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: 4
=====================================
Write number: 44
Temperature: 1.000000
Total energy: -903.320798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -903.320798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -903.320798 (E_RNA)
where:
Base-Base interactions energy: -580.114
where: short stacking energy: -259.443
Base-Backbone interact. energy: -1.612
local terms energy: -321.594853
where:
bonds (distance) C4'-P energy: -68.969
bonds (distance) P-C4' energy: -65.356
flat angles C4'-P-C4' energy: -58.530
flat angles P-C4'-P energy: -43.929
tors. eta vs tors. theta energy: -84.811
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: 44
Temperature: 1.050000
Total energy: -776.366319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -776.366319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -776.366319 (E_RNA)
where:
Base-Base interactions energy: -462.989
where: short stacking energy: -243.005
Base-Backbone interact. energy: 0.607
local terms energy: -313.984930
where:
bonds (distance) C4'-P energy: -54.111
bonds (distance) P-C4' energy: -62.863
flat angles C4'-P-C4' energy: -73.452
flat angles P-C4'-P energy: -50.747
tors. eta vs tors. theta energy: -72.812
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 44
Temperature: 1.100000
Total energy: -697.834742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -697.834742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -697.834742 (E_RNA)
where:
Base-Base interactions energy: -393.417
where: short stacking energy: -198.604
Base-Backbone interact. energy: -0.402
local terms energy: -304.015296
where:
bonds (distance) C4'-P energy: -69.852
bonds (distance) P-C4' energy: -69.546
flat angles C4'-P-C4' energy: -72.675
flat angles P-C4'-P energy: -49.532
tors. eta vs tors. theta energy: -42.411
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 44
Temperature: 1.150000
Total energy: -437.173575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -437.173575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -437.173575 (E_RNA)
where:
Base-Base interactions energy: -181.331
where: short stacking energy: -142.471
Base-Backbone interact. energy: -2.554
local terms energy: -253.288390
where:
bonds (distance) C4'-P energy: -60.664
bonds (distance) P-C4' energy: -65.638
flat angles C4'-P-C4' energy: -66.745
flat angles P-C4'-P energy: -38.934
tors. eta vs tors. theta energy: -21.307
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 44
Temperature: 1.200000
Total energy: -356.529906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.529906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.529906 (E_RNA)
where:
Base-Base interactions energy: -144.874
where: short stacking energy: -131.048
Base-Backbone interact. energy: 2.496
local terms energy: -214.152234
where:
bonds (distance) C4'-P energy: -55.802
bonds (distance) P-C4' energy: -62.987
flat angles C4'-P-C4' energy: -38.422
flat angles P-C4'-P energy: -38.630
tors. eta vs tors. theta energy: -18.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 44
Temperature: 1.250000
Total energy: -333.533278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.533278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.533278 (E_RNA)
where:
Base-Base interactions energy: -121.041
where: short stacking energy: -92.389
Base-Backbone interact. energy: -0.549
local terms energy: -211.942362
where:
bonds (distance) C4'-P energy: -65.032
bonds (distance) P-C4' energy: -64.794
flat angles C4'-P-C4' energy: -47.779
flat angles P-C4'-P energy: -37.574
tors. eta vs tors. theta energy: 3.238
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: 10
=====================================
Write number: 44
Temperature: 1.300000
Total energy: -298.929847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.929847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.929847 (E_RNA)
where:
Base-Base interactions energy: -101.889
where: short stacking energy: -82.624
Base-Backbone interact. energy: 4.192
local terms energy: -201.232666
where:
bonds (distance) C4'-P energy: -54.428
bonds (distance) P-C4' energy: -60.825
flat angles C4'-P-C4' energy: -42.115
flat angles P-C4'-P energy: -38.714
tors. eta vs tors. theta energy: -5.150
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: 7
=====================================
Write number: 44
Temperature: 1.350000
Total energy: -327.144905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.144905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.144905 (E_RNA)
where:
Base-Base interactions energy: -120.646
where: short stacking energy: -72.453
Base-Backbone interact. energy: 1.279
local terms energy: -207.777587
where:
bonds (distance) C4'-P energy: -64.832
bonds (distance) P-C4' energy: -73.013
flat angles C4'-P-C4' energy: -43.773
flat angles P-C4'-P energy: -34.967
tors. eta vs tors. theta energy: 8.807
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 45
Temperature: 0.900000
Total energy: -911.165650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -911.165650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -911.165650 (E_RNA)
where:
Base-Base interactions energy: -585.084
where: short stacking energy: -270.454
Base-Backbone interact. energy: -0.725
local terms energy: -325.356529
where:
bonds (distance) C4'-P energy: -62.063
bonds (distance) P-C4' energy: -74.943
flat angles C4'-P-C4' energy: -71.052
flat angles P-C4'-P energy: -45.489
tors. eta vs tors. theta energy: -71.809
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: 2, replica: 4
=====================================
Write number: 45
Temperature: 0.950000
Total energy: -996.142075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -996.142075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -996.142075 (E_RNA)
where:
Base-Base interactions energy: -657.571
where: short stacking energy: -304.065
Base-Backbone interact. energy: 2.217
local terms energy: -340.788013
where:
bonds (distance) C4'-P energy: -61.085
bonds (distance) P-C4' energy: -66.694
flat angles C4'-P-C4' energy: -75.016
flat angles P-C4'-P energy: -46.514
tors. eta vs tors. theta energy: -91.479
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 45
Temperature: 1.000000
Total energy: -888.560449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -888.560449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -888.560449 (E_RNA)
where:
Base-Base interactions energy: -550.560
where: short stacking energy: -225.581
Base-Backbone interact. energy: 0.300
local terms energy: -338.301022
where:
bonds (distance) C4'-P energy: -74.175
bonds (distance) P-C4' energy: -74.018
flat angles C4'-P-C4' energy: -76.998
flat angles P-C4'-P energy: -47.356
tors. eta vs tors. theta energy: -65.754
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: 1
=====================================
Write number: 45
Temperature: 1.050000
Total energy: -796.017570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -796.017570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -796.017570 (E_RNA)
where:
Base-Base interactions energy: -476.170
where: short stacking energy: -232.827
Base-Backbone interact. energy: -2.339
local terms energy: -317.508476
where:
bonds (distance) C4'-P energy: -66.363
bonds (distance) P-C4' energy: -65.445
flat angles C4'-P-C4' energy: -69.059
flat angles P-C4'-P energy: -45.090
tors. eta vs tors. theta energy: -71.550
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 45
Temperature: 1.100000
Total energy: -627.460571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -627.460571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -627.460571 (E_RNA)
where:
Base-Base interactions energy: -371.935
where: short stacking energy: -190.462
Base-Backbone interact. energy: -0.583
local terms energy: -254.942483
where:
bonds (distance) C4'-P energy: -44.024
bonds (distance) P-C4' energy: -64.649
flat angles C4'-P-C4' energy: -65.126
flat angles P-C4'-P energy: -43.599
tors. eta vs tors. theta energy: -37.544
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: 45
Temperature: 1.150000
Total energy: -376.157592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -376.157592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -376.157592 (E_RNA)
where:
Base-Base interactions energy: -133.548
where: short stacking energy: -91.726
Base-Backbone interact. energy: -2.130
local terms energy: -240.480276
where:
bonds (distance) C4'-P energy: -66.329
bonds (distance) P-C4' energy: -71.522
flat angles C4'-P-C4' energy: -66.879
flat angles P-C4'-P energy: -37.769
tors. eta vs tors. theta energy: 2.018
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 45
Temperature: 1.200000
Total energy: -361.731311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.731311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.731311 (E_RNA)
where:
Base-Base interactions energy: -140.682
where: short stacking energy: -80.228
Base-Backbone interact. energy: 1.641
local terms energy: -222.690892
where:
bonds (distance) C4'-P energy: -67.358
bonds (distance) P-C4' energy: -64.524
flat angles C4'-P-C4' energy: -64.615
flat angles P-C4'-P energy: -41.266
tors. eta vs tors. theta energy: 15.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 45
Temperature: 1.250000
Total energy: -324.537244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.537244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.537244 (E_RNA)
where:
Base-Base interactions energy: -115.848
where: short stacking energy: -86.409
Base-Backbone interact. energy: -1.087
local terms energy: -207.602966
where:
bonds (distance) C4'-P energy: -58.969
bonds (distance) P-C4' energy: -68.083
flat angles C4'-P-C4' energy: -56.861
flat angles P-C4'-P energy: -33.529
tors. eta vs tors. theta energy: 9.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 45
Temperature: 1.300000
Total energy: -297.150157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.150157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.150157 (E_RNA)
where:
Base-Base interactions energy: -107.523
where: short stacking energy: -90.005
Base-Backbone interact. energy: 1.767
local terms energy: -191.393820
where:
bonds (distance) C4'-P energy: -51.964
bonds (distance) P-C4' energy: -71.700
flat angles C4'-P-C4' energy: -48.652
flat angles P-C4'-P energy: -25.334
tors. eta vs tors. theta energy: 6.257
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: 7
=====================================
Write number: 45
Temperature: 1.350000
Total energy: -271.592722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.592722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.592722 (E_RNA)
where:
Base-Base interactions energy: -95.621
where: short stacking energy: -65.760
Base-Backbone interact. energy: 0.833
local terms energy: -176.804529
where:
bonds (distance) C4'-P energy: -65.899
bonds (distance) P-C4' energy: -61.159
flat angles C4'-P-C4' energy: -45.844
flat angles P-C4'-P energy: -23.539
tors. eta vs tors. theta energy: 19.637
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 46
Temperature: 0.900000
Total energy: -989.700158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -989.700158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -989.700158 (E_RNA)
where:
Base-Base interactions energy: -642.030
where: short stacking energy: -293.433
Base-Backbone interact. energy: -1.709
local terms energy: -345.962076
where:
bonds (distance) C4'-P energy: -58.004
bonds (distance) P-C4' energy: -69.893
flat angles C4'-P-C4' energy: -74.049
flat angles P-C4'-P energy: -45.878
tors. eta vs tors. theta energy: -98.138
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 46
Temperature: 0.950000
Total energy: -889.754543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -889.754543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -889.754543 (E_RNA)
where:
Base-Base interactions energy: -559.923
where: short stacking energy: -274.847
Base-Backbone interact. energy: 3.864
local terms energy: -333.695537
where:
bonds (distance) C4'-P energy: -73.547
bonds (distance) P-C4' energy: -69.493
flat angles C4'-P-C4' energy: -72.683
flat angles P-C4'-P energy: -36.479
tors. eta vs tors. theta energy: -81.493
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 46
Temperature: 1.000000
Total energy: -898.006600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -898.006600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -898.006600 (E_RNA)
where:
Base-Base interactions energy: -592.822
where: short stacking energy: -246.305
Base-Backbone interact. energy: -4.212
local terms energy: -300.971998
where:
bonds (distance) C4'-P energy: -64.802
bonds (distance) P-C4' energy: -67.648
flat angles C4'-P-C4' energy: -60.517
flat angles P-C4'-P energy: -43.225
tors. eta vs tors. theta energy: -64.780
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 46
Temperature: 1.050000
Total energy: -807.060974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -807.060974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -807.060974 (E_RNA)
where:
Base-Base interactions energy: -500.398
where: short stacking energy: -248.674
Base-Backbone interact. energy: -0.097
local terms energy: -306.565700
where:
bonds (distance) C4'-P energy: -65.837
bonds (distance) P-C4' energy: -62.042
flat angles C4'-P-C4' energy: -66.396
flat angles P-C4'-P energy: -48.457
tors. eta vs tors. theta energy: -63.834
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 46
Temperature: 1.100000
Total energy: -552.804059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.804059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.804059 (E_RNA)
where:
Base-Base interactions energy: -304.821
where: short stacking energy: -156.740
Base-Backbone interact. energy: -1.104
local terms energy: -246.879026
where:
bonds (distance) C4'-P energy: -53.718
bonds (distance) P-C4' energy: -59.708
flat angles C4'-P-C4' energy: -67.588
flat angles P-C4'-P energy: -38.968
tors. eta vs tors. theta energy: -26.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 46
Temperature: 1.150000
Total energy: -399.460974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -399.460974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -399.460974 (E_RNA)
where:
Base-Base interactions energy: -171.187
where: short stacking energy: -107.186
Base-Backbone interact. energy: -0.047
local terms energy: -228.226925
where:
bonds (distance) C4'-P energy: -68.211
bonds (distance) P-C4' energy: -60.198
flat angles C4'-P-C4' energy: -55.439
flat angles P-C4'-P energy: -33.476
tors. eta vs tors. theta energy: -10.903
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: 9
=====================================
Write number: 46
Temperature: 1.200000
Total energy: -354.128868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.128868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.128868 (E_RNA)
where:
Base-Base interactions energy: -166.081
where: short stacking energy: -113.369
Base-Backbone interact. energy: 8.223
local terms energy: -196.270680
where:
bonds (distance) C4'-P energy: -40.935
bonds (distance) P-C4' energy: -68.303
flat angles C4'-P-C4' energy: -69.810
flat angles P-C4'-P energy: -21.439
tors. eta vs tors. theta energy: 4.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 46
Temperature: 1.250000
Total energy: -324.538702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.538702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.538702 (E_RNA)
where:
Base-Base interactions energy: -125.046
where: short stacking energy: -91.522
Base-Backbone interact. energy: -0.914
local terms energy: -198.578738
where:
bonds (distance) C4'-P energy: -61.169
bonds (distance) P-C4' energy: -58.609
flat angles C4'-P-C4' energy: -54.460
flat angles P-C4'-P energy: -20.703
tors. eta vs tors. theta energy: -3.638
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: 9, replica: 7
=====================================
Write number: 46
Temperature: 1.300000
Total energy: -318.203822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.203822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.203822 (E_RNA)
where:
Base-Base interactions energy: -97.685
where: short stacking energy: -74.744
Base-Backbone interact. energy: -1.455
local terms energy: -219.063993
where:
bonds (distance) C4'-P energy: -64.798
bonds (distance) P-C4' energy: -67.757
flat angles C4'-P-C4' energy: -62.113
flat angles P-C4'-P energy: -21.901
tors. eta vs tors. theta energy: -2.495
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 46
Temperature: 1.350000
Total energy: -272.002835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.002835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.002835 (E_RNA)
where:
Base-Base interactions energy: -84.358
where: short stacking energy: -74.927
Base-Backbone interact. energy: 0.255
local terms energy: -187.899419
where:
bonds (distance) C4'-P energy: -54.974
bonds (distance) P-C4' energy: -58.094
flat angles C4'-P-C4' energy: -55.589
flat angles P-C4'-P energy: -42.865
tors. eta vs tors. theta energy: 23.623
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 47
Temperature: 0.900000
Total energy: -994.059173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -994.059173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -994.059173 (E_RNA)
where:
Base-Base interactions energy: -633.324
where: short stacking energy: -314.114
Base-Backbone interact. energy: -1.764
local terms energy: -358.971223
where:
bonds (distance) C4'-P energy: -71.065
bonds (distance) P-C4' energy: -70.489
flat angles C4'-P-C4' energy: -73.925
flat angles P-C4'-P energy: -47.551
tors. eta vs tors. theta energy: -95.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 47
Temperature: 0.950000
Total energy: -950.294042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -950.294042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -950.294042 (E_RNA)
where:
Base-Base interactions energy: -611.012
where: short stacking energy: -266.639
Base-Backbone interact. energy: -3.074
local terms energy: -336.208739
where:
bonds (distance) C4'-P energy: -67.793
bonds (distance) P-C4' energy: -72.652
flat angles C4'-P-C4' energy: -74.644
flat angles P-C4'-P energy: -50.718
tors. eta vs tors. theta energy: -70.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 47
Temperature: 1.000000
Total energy: -851.283855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -851.283855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -851.283855 (E_RNA)
where:
Base-Base interactions energy: -528.203
where: short stacking energy: -253.537
Base-Backbone interact. energy: 2.913
local terms energy: -325.994052
where:
bonds (distance) C4'-P energy: -70.788
bonds (distance) P-C4' energy: -64.183
flat angles C4'-P-C4' energy: -68.663
flat angles P-C4'-P energy: -44.128
tors. eta vs tors. theta energy: -78.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 47
Temperature: 1.050000
Total energy: -744.727791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -744.727791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -744.727791 (E_RNA)
where:
Base-Base interactions energy: -441.443
where: short stacking energy: -229.699
Base-Backbone interact. energy: -1.383
local terms energy: -301.901319
where:
bonds (distance) C4'-P energy: -67.620
bonds (distance) P-C4' energy: -63.637
flat angles C4'-P-C4' energy: -62.905
flat angles P-C4'-P energy: -40.589
tors. eta vs tors. theta energy: -67.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 47
Temperature: 1.100000
Total energy: -542.641541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.641541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.641541 (E_RNA)
where:
Base-Base interactions energy: -290.376
where: short stacking energy: -151.945
Base-Backbone interact. energy: -1.677
local terms energy: -250.588607
where:
bonds (distance) C4'-P energy: -63.359
bonds (distance) P-C4' energy: -71.972
flat angles C4'-P-C4' energy: -52.491
flat angles P-C4'-P energy: -33.117
tors. eta vs tors. theta energy: -29.650
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: 8
=====================================
Write number: 47
Temperature: 1.150000
Total energy: -434.185124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -434.185124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -434.185124 (E_RNA)
where:
Base-Base interactions energy: -197.941
where: short stacking energy: -114.007
Base-Backbone interact. energy: -3.237
local terms energy: -233.007018
where:
bonds (distance) C4'-P energy: -63.081
bonds (distance) P-C4' energy: -67.041
flat angles C4'-P-C4' energy: -64.918
flat angles P-C4'-P energy: -28.358
tors. eta vs tors. theta energy: -9.610
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 47
Temperature: 1.200000
Total energy: -365.851423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.851423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.851423 (E_RNA)
where:
Base-Base interactions energy: -145.368
where: short stacking energy: -115.170
Base-Backbone interact. energy: 0.004
local terms energy: -220.487079
where:
bonds (distance) C4'-P energy: -55.391
bonds (distance) P-C4' energy: -67.131
flat angles C4'-P-C4' energy: -59.841
flat angles P-C4'-P energy: -39.053
tors. eta vs tors. theta energy: 0.929
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 47
Temperature: 1.250000
Total energy: -327.773146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.773146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.773146 (E_RNA)
where:
Base-Base interactions energy: -111.233
where: short stacking energy: -79.708
Base-Backbone interact. energy: 0.213
local terms energy: -216.753139
where:
bonds (distance) C4'-P energy: -59.565
bonds (distance) P-C4' energy: -59.636
flat angles C4'-P-C4' energy: -54.954
flat angles P-C4'-P energy: -40.965
tors. eta vs tors. theta energy: -1.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 47
Temperature: 1.300000
Total energy: -327.405844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.405844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.405844 (E_RNA)
where:
Base-Base interactions energy: -150.436
where: short stacking energy: -87.993
Base-Backbone interact. energy: 1.927
local terms energy: -178.896830
where:
bonds (distance) C4'-P energy: -54.466
bonds (distance) P-C4' energy: -49.191
flat angles C4'-P-C4' energy: -49.196
flat angles P-C4'-P energy: -21.999
tors. eta vs tors. theta energy: -4.044
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 47
Temperature: 1.350000
Total energy: -279.200220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.200220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.200220 (E_RNA)
where:
Base-Base interactions energy: -81.420
where: short stacking energy: -64.150
Base-Backbone interact. energy: -1.022
local terms energy: -196.758845
where:
bonds (distance) C4'-P energy: -55.360
bonds (distance) P-C4' energy: -75.478
flat angles C4'-P-C4' energy: -42.902
flat angles P-C4'-P energy: -40.902
tors. eta vs tors. theta energy: 17.884
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 48
Temperature: 0.900000
Total energy: -1001.495092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1001.495092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1001.495092 (E_RNA)
where:
Base-Base interactions energy: -636.286
where: short stacking energy: -327.603
Base-Backbone interact. energy: -1.577
local terms energy: -363.632350
where:
bonds (distance) C4'-P energy: -67.143
bonds (distance) P-C4' energy: -67.897
flat angles C4'-P-C4' energy: -71.260
flat angles P-C4'-P energy: -57.281
tors. eta vs tors. theta energy: -100.051
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: 48
Temperature: 0.950000
Total energy: -943.203906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -943.203906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -943.203906 (E_RNA)
where:
Base-Base interactions energy: -600.038
where: short stacking energy: -271.306
Base-Backbone interact. energy: -1.102
local terms energy: -342.064272
where:
bonds (distance) C4'-P energy: -63.596
bonds (distance) P-C4' energy: -74.157
flat angles C4'-P-C4' energy: -74.801
flat angles P-C4'-P energy: -48.350
tors. eta vs tors. theta energy: -81.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 48
Temperature: 1.000000
Total energy: -838.320093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -838.320093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -838.320093 (E_RNA)
where:
Base-Base interactions energy: -513.433
where: short stacking energy: -251.376
Base-Backbone interact. energy: -1.424
local terms energy: -323.463174
where:
bonds (distance) C4'-P energy: -64.801
bonds (distance) P-C4' energy: -68.853
flat angles C4'-P-C4' energy: -78.559
flat angles P-C4'-P energy: -45.543
tors. eta vs tors. theta energy: -65.707
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 48
Temperature: 1.050000
Total energy: -673.293407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -673.293407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -673.293407 (E_RNA)
where:
Base-Base interactions energy: -385.489
where: short stacking energy: -200.032
Base-Backbone interact. energy: -0.467
local terms energy: -287.338097
where:
bonds (distance) C4'-P energy: -70.261
bonds (distance) P-C4' energy: -54.764
flat angles C4'-P-C4' energy: -69.350
flat angles P-C4'-P energy: -46.022
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: 5, replica: 2
=====================================
Write number: 48
Temperature: 1.100000
Total energy: -571.800111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -571.800111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -571.800111 (E_RNA)
where:
Base-Base interactions energy: -335.850
where: short stacking energy: -170.607
Base-Backbone interact. energy: 2.681
local terms energy: -238.631002
where:
bonds (distance) C4'-P energy: -49.351
bonds (distance) P-C4' energy: -55.093
flat angles C4'-P-C4' energy: -56.108
flat angles P-C4'-P energy: -38.895
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: 6, replica: 8
=====================================
Write number: 48
Temperature: 1.150000
Total energy: -431.782245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -431.782245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -431.782245 (E_RNA)
where:
Base-Base interactions energy: -193.347
where: short stacking energy: -120.302
Base-Backbone interact. energy: 1.224
local terms energy: -239.659209
where:
bonds (distance) C4'-P energy: -75.062
bonds (distance) P-C4' energy: -64.823
flat angles C4'-P-C4' energy: -62.150
flat angles P-C4'-P energy: -27.642
tors. eta vs tors. theta energy: -9.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 48
Temperature: 1.200000
Total energy: -339.250513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.250513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.250513 (E_RNA)
where:
Base-Base interactions energy: -118.801
where: short stacking energy: -104.559
Base-Backbone interact. energy: 0.154
local terms energy: -220.603532
where:
bonds (distance) C4'-P energy: -59.951
bonds (distance) P-C4' energy: -60.627
flat angles C4'-P-C4' energy: -55.261
flat angles P-C4'-P energy: -40.463
tors. eta vs tors. theta energy: -4.301
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 48
Temperature: 1.250000
Total energy: -324.708457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.708457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.708457 (E_RNA)
where:
Base-Base interactions energy: -123.735
where: short stacking energy: -93.499
Base-Backbone interact. energy: 2.469
local terms energy: -203.442826
where:
bonds (distance) C4'-P energy: -43.240
bonds (distance) P-C4' energy: -61.684
flat angles C4'-P-C4' energy: -56.080
flat angles P-C4'-P energy: -31.640
tors. eta vs tors. theta energy: -10.799
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 48
Temperature: 1.300000
Total energy: -287.073507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.073507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.073507 (E_RNA)
where:
Base-Base interactions energy: -94.702
where: short stacking energy: -71.546
Base-Backbone interact. energy: 1.087
local terms energy: -193.458006
where:
bonds (distance) C4'-P energy: -56.580
bonds (distance) P-C4' energy: -60.386
flat angles C4'-P-C4' energy: -59.743
flat angles P-C4'-P energy: -29.391
tors. eta vs tors. theta energy: 12.641
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: 10, replica: 7
=====================================
Write number: 48
Temperature: 1.350000
Total energy: -264.545904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.545904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.545904 (E_RNA)
where:
Base-Base interactions energy: -90.190
where: short stacking energy: -62.221
Base-Backbone interact. energy: 1.203
local terms energy: -175.558886
where:
bonds (distance) C4'-P energy: -64.626
bonds (distance) P-C4' energy: -66.492
flat angles C4'-P-C4' energy: -45.124
flat angles P-C4'-P energy: -27.777
tors. eta vs tors. theta energy: 28.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 49
Temperature: 0.900000
Total energy: -961.564409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -961.564409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -961.564409 (E_RNA)
where:
Base-Base interactions energy: -615.566
where: short stacking energy: -287.296
Base-Backbone interact. energy: 0.164
local terms energy: -346.162473
where:
bonds (distance) C4'-P energy: -63.362
bonds (distance) P-C4' energy: -69.963
flat angles C4'-P-C4' energy: -68.719
flat angles P-C4'-P energy: -53.018
tors. eta vs tors. theta energy: -91.101
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 49
Temperature: 0.950000
Total energy: -937.306895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -937.306895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -937.306895 (E_RNA)
where:
Base-Base interactions energy: -615.620
where: short stacking energy: -256.301
Base-Backbone interact. energy: -1.216
local terms energy: -320.470616
where:
bonds (distance) C4'-P energy: -67.673
bonds (distance) P-C4' energy: -69.719
flat angles C4'-P-C4' energy: -68.861
flat angles P-C4'-P energy: -40.358
tors. eta vs tors. theta energy: -73.859
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 49
Temperature: 1.000000
Total energy: -812.260932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -812.260932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -812.260932 (E_RNA)
where:
Base-Base interactions energy: -501.076
where: short stacking energy: -256.528
Base-Backbone interact. energy: -0.109
local terms energy: -311.076390
where:
bonds (distance) C4'-P energy: -61.104
bonds (distance) P-C4' energy: -59.568
flat angles C4'-P-C4' energy: -73.221
flat angles P-C4'-P energy: -44.674
tors. eta vs tors. theta energy: -72.509
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: 4, replica: 1
=====================================
Write number: 49
Temperature: 1.050000
Total energy: -693.473499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -693.473499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -693.473499 (E_RNA)
where:
Base-Base interactions energy: -400.689
where: short stacking energy: -201.457
Base-Backbone interact. energy: 1.386
local terms energy: -294.170626
where:
bonds (distance) C4'-P energy: -63.020
bonds (distance) P-C4' energy: -66.484
flat angles C4'-P-C4' energy: -65.330
flat angles P-C4'-P energy: -51.563
tors. eta vs tors. theta energy: -47.773
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: 2
=====================================
Write number: 49
Temperature: 1.100000
Total energy: -596.781815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -596.781815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -596.781815 (E_RNA)
where:
Base-Base interactions energy: -340.367
where: short stacking energy: -164.229
Base-Backbone interact. energy: -2.708
local terms energy: -253.706611
where:
bonds (distance) C4'-P energy: -64.111
bonds (distance) P-C4' energy: -57.624
flat angles C4'-P-C4' energy: -65.473
flat angles P-C4'-P energy: -39.039
tors. eta vs tors. theta energy: -27.460
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 49
Temperature: 1.150000
Total energy: -381.410546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -381.410546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -381.410546 (E_RNA)
where:
Base-Base interactions energy: -137.238
where: short stacking energy: -117.734
Base-Backbone interact. energy: -1.274
local terms energy: -242.898277
where:
bonds (distance) C4'-P energy: -66.365
bonds (distance) P-C4' energy: -66.925
flat angles C4'-P-C4' energy: -57.970
flat angles P-C4'-P energy: -37.452
tors. eta vs tors. theta energy: -14.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 49
Temperature: 1.200000
Total energy: -400.876730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -400.876730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -400.876730 (E_RNA)
where:
Base-Base interactions energy: -184.102
where: short stacking energy: -113.098
Base-Backbone interact. energy: -1.543
local terms energy: -215.231044
where:
bonds (distance) C4'-P energy: -60.781
bonds (distance) P-C4' energy: -57.153
flat angles C4'-P-C4' energy: -50.552
flat angles P-C4'-P energy: -34.143
tors. eta vs tors. theta energy: -12.601
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: 8, replica: 9
=====================================
Write number: 49
Temperature: 1.250000
Total energy: -328.299890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.299890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.299890 (E_RNA)
where:
Base-Base interactions energy: -122.486
where: short stacking energy: -91.132
Base-Backbone interact. energy: 0.342
local terms energy: -206.156525
where:
bonds (distance) C4'-P energy: -64.505
bonds (distance) P-C4' energy: -60.763
flat angles C4'-P-C4' energy: -59.261
flat angles P-C4'-P energy: -23.143
tors. eta vs tors. theta energy: 1.517
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 49
Temperature: 1.300000
Total energy: -277.008856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.008856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.008856 (E_RNA)
where:
Base-Base interactions energy: -86.551
where: short stacking energy: -75.589
Base-Backbone interact. energy: -1.028
local terms energy: -189.430207
where:
bonds (distance) C4'-P energy: -53.639
bonds (distance) P-C4' energy: -70.573
flat angles C4'-P-C4' energy: -52.710
flat angles P-C4'-P energy: -22.262
tors. eta vs tors. theta energy: 9.755
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: 49
Temperature: 1.350000
Total energy: -278.047231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.047231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.047231 (E_RNA)
where:
Base-Base interactions energy: -105.943
where: short stacking energy: -69.320
Base-Backbone interact. energy: -0.170
local terms energy: -171.934227
where:
bonds (distance) C4'-P energy: -59.151
bonds (distance) P-C4' energy: -58.038
flat angles C4'-P-C4' energy: -46.725
flat angles P-C4'-P energy: -18.771
tors. eta vs tors. theta energy: 10.751
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 50
Temperature: 0.900000
Total energy: -993.787956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -993.787956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -993.787956 (E_RNA)
where:
Base-Base interactions energy: -645.532
where: short stacking energy: -302.856
Base-Backbone interact. energy: -1.700
local terms energy: -346.555738
where:
bonds (distance) C4'-P energy: -69.984
bonds (distance) P-C4' energy: -59.258
flat angles C4'-P-C4' energy: -78.459
flat angles P-C4'-P energy: -42.882
tors. eta vs tors. theta energy: -95.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 50
Temperature: 0.950000
Total energy: -918.597234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -918.597234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -918.597234 (E_RNA)
where:
Base-Base interactions energy: -586.170
where: short stacking energy: -275.205
Base-Backbone interact. energy: -0.879
local terms energy: -331.548458
where:
bonds (distance) C4'-P energy: -65.379
bonds (distance) P-C4' energy: -73.675
flat angles C4'-P-C4' energy: -69.261
flat angles P-C4'-P energy: -50.933
tors. eta vs tors. theta energy: -72.301
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: 5
=====================================
Write number: 50
Temperature: 1.000000
Total energy: -800.456747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -800.456747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -800.456747 (E_RNA)
where:
Base-Base interactions energy: -502.675
where: short stacking energy: -243.601
Base-Backbone interact. energy: -0.463
local terms energy: -297.319214
where:
bonds (distance) C4'-P energy: -65.380
bonds (distance) P-C4' energy: -64.886
flat angles C4'-P-C4' energy: -63.255
flat angles P-C4'-P energy: -47.951
tors. eta vs tors. theta energy: -55.848
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 50
Temperature: 1.050000
Total energy: -749.185624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -749.185624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -749.185624 (E_RNA)
where:
Base-Base interactions energy: -464.330
where: short stacking energy: -229.402
Base-Backbone interact. energy: -0.282
local terms energy: -284.573722
where:
bonds (distance) C4'-P energy: -62.513
bonds (distance) P-C4' energy: -68.228
flat angles C4'-P-C4' energy: -64.205
flat angles P-C4'-P energy: -35.418
tors. eta vs tors. theta energy: -54.210
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 50
Temperature: 1.100000
Total energy: -583.365593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -583.365593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -583.365593 (E_RNA)
where:
Base-Base interactions energy: -331.706
where: short stacking energy: -161.487
Base-Backbone interact. energy: -1.267
local terms energy: -250.392271
where:
bonds (distance) C4'-P energy: -66.506
bonds (distance) P-C4' energy: -63.587
flat angles C4'-P-C4' energy: -57.661
flat angles P-C4'-P energy: -36.019
tors. eta vs tors. theta energy: -26.619
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 50
Temperature: 1.150000
Total energy: -368.974133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.974133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.974133 (E_RNA)
where:
Base-Base interactions energy: -139.867
where: short stacking energy: -110.432
Base-Backbone interact. energy: -0.803
local terms energy: -228.304087
where:
bonds (distance) C4'-P energy: -55.350
bonds (distance) P-C4' energy: -71.146
flat angles C4'-P-C4' energy: -63.710
flat angles P-C4'-P energy: -42.586
tors. eta vs tors. theta energy: 4.487
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 50
Temperature: 1.200000
Total energy: -392.955090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.955090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -392.955090 (E_RNA)
where:
Base-Base interactions energy: -192.499
where: short stacking energy: -104.645
Base-Backbone interact. energy: 3.908
local terms energy: -204.364165
where:
bonds (distance) C4'-P energy: -65.487
bonds (distance) P-C4' energy: -66.401
flat angles C4'-P-C4' energy: -48.498
flat angles P-C4'-P energy: -35.135
tors. eta vs tors. theta energy: 11.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 50
Temperature: 1.250000
Total energy: -337.770575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.770575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.770575 (E_RNA)
where:
Base-Base interactions energy: -138.438
where: short stacking energy: -100.597
Base-Backbone interact. energy: -0.325
local terms energy: -199.007337
where:
bonds (distance) C4'-P energy: -68.398
bonds (distance) P-C4' energy: -56.092
flat angles C4'-P-C4' energy: -53.143
flat angles P-C4'-P energy: -26.752
tors. eta vs tors. theta energy: 5.378
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: 9, replica: 6
=====================================
Write number: 50
Temperature: 1.300000
Total energy: -292.809650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.809650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.809650 (E_RNA)
where:
Base-Base interactions energy: -106.762
where: short stacking energy: -86.783
Base-Backbone interact. energy: -1.878
local terms energy: -184.169130
where:
bonds (distance) C4'-P energy: -55.672
bonds (distance) P-C4' energy: -61.784
flat angles C4'-P-C4' energy: -54.030
flat angles P-C4'-P energy: -26.988
tors. eta vs tors. theta energy: 14.304
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: 50
Temperature: 1.350000
Total energy: -276.592572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.592572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.592572 (E_RNA)
where:
Base-Base interactions energy: -97.615
where: short stacking energy: -85.395
Base-Backbone interact. energy: 3.704
local terms energy: -182.681206
where:
bonds (distance) C4'-P energy: -53.029
bonds (distance) P-C4' energy: -57.528
flat angles C4'-P-C4' energy: -57.499
flat angles P-C4'-P energy: -29.466
tors. eta vs tors. theta energy: 14.840
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 51
Temperature: 0.900000
Total energy: -1025.676509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1025.676509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1025.676509 (E_RNA)
where:
Base-Base interactions energy: -655.459
where: short stacking energy: -322.742
Base-Backbone interact. energy: -0.586
local terms energy: -369.631909
where:
bonds (distance) C4'-P energy: -73.290
bonds (distance) P-C4' energy: -73.025
flat angles C4'-P-C4' energy: -77.843
flat angles P-C4'-P energy: -53.301
tors. eta vs tors. theta energy: -92.172
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 51
Temperature: 0.950000
Total energy: -927.832531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -927.832531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -927.832531 (E_RNA)
where:
Base-Base interactions energy: -601.827
where: short stacking energy: -250.834
Base-Backbone interact. energy: -2.476
local terms energy: -323.529259
where:
bonds (distance) C4'-P energy: -58.075
bonds (distance) P-C4' energy: -68.020
flat angles C4'-P-C4' energy: -75.637
flat angles P-C4'-P energy: -39.802
tors. eta vs tors. theta energy: -81.996
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 51
Temperature: 1.000000
Total energy: -787.220670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -787.220670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -787.220670 (E_RNA)
where:
Base-Base interactions energy: -494.547
where: short stacking energy: -235.538
Base-Backbone interact. energy: 4.978
local terms energy: -297.651527
where:
bonds (distance) C4'-P energy: -59.027
bonds (distance) P-C4' energy: -73.175
flat angles C4'-P-C4' energy: -66.662
flat angles P-C4'-P energy: -42.057
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: 1
=====================================
Write number: 51
Temperature: 1.050000
Total energy: -782.298225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -782.298225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -782.298225 (E_RNA)
where:
Base-Base interactions energy: -482.812
where: short stacking energy: -224.075
Base-Backbone interact. energy: -0.778
local terms energy: -298.708079
where:
bonds (distance) C4'-P energy: -58.699
bonds (distance) P-C4' energy: -66.667
flat angles C4'-P-C4' energy: -64.839
flat angles P-C4'-P energy: -49.233
tors. eta vs tors. theta energy: -59.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 51
Temperature: 1.100000
Total energy: -587.550588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -587.550588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -587.550588 (E_RNA)
where:
Base-Base interactions energy: -305.064
where: short stacking energy: -159.592
Base-Backbone interact. energy: -1.324
local terms energy: -281.162375
where:
bonds (distance) C4'-P energy: -70.803
bonds (distance) P-C4' energy: -65.023
flat angles C4'-P-C4' energy: -65.516
flat angles P-C4'-P energy: -43.074
tors. eta vs tors. theta energy: -36.747
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: 8
=====================================
Write number: 51
Temperature: 1.150000
Total energy: -413.638640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.638640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -413.638640 (E_RNA)
where:
Base-Base interactions energy: -182.478
where: short stacking energy: -141.548
Base-Backbone interact. energy: -1.500
local terms energy: -229.660538
where:
bonds (distance) C4'-P energy: -49.900
bonds (distance) P-C4' energy: -58.690
flat angles C4'-P-C4' energy: -63.077
flat angles P-C4'-P energy: -40.551
tors. eta vs tors. theta energy: -17.443
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 51
Temperature: 1.200000
Total energy: -335.579453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.579453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.579453 (E_RNA)
where:
Base-Base interactions energy: -114.091
where: short stacking energy: -103.624
Base-Backbone interact. energy: -1.572
local terms energy: -219.916153
where:
bonds (distance) C4'-P energy: -62.753
bonds (distance) P-C4' energy: -67.872
flat angles C4'-P-C4' energy: -60.100
flat angles P-C4'-P energy: -17.159
tors. eta vs tors. theta energy: -12.031
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: 6
=====================================
Write number: 51
Temperature: 1.250000
Total energy: -300.960774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.960774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.960774 (E_RNA)
where:
Base-Base interactions energy: -105.757
where: short stacking energy: -80.659
Base-Backbone interact. energy: -1.495
local terms energy: -193.708841
where:
bonds (distance) C4'-P energy: -52.936
bonds (distance) P-C4' energy: -56.432
flat angles C4'-P-C4' energy: -60.476
flat angles P-C4'-P energy: -32.228
tors. eta vs tors. theta energy: 8.363
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: 9
=====================================
Write number: 51
Temperature: 1.300000
Total energy: -284.299100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.299100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.299100 (E_RNA)
where:
Base-Base interactions energy: -100.897
where: short stacking energy: -77.926
Base-Backbone interact. energy: -1.526
local terms energy: -181.875991
where:
bonds (distance) C4'-P energy: -56.627
bonds (distance) P-C4' energy: -45.325
flat angles C4'-P-C4' energy: -64.364
flat angles P-C4'-P energy: -33.768
tors. eta vs tors. theta energy: 18.209
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: 7
=====================================
Write number: 51
Temperature: 1.350000
Total energy: -293.022595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.022595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.022595 (E_RNA)
where:
Base-Base interactions energy: -115.658
where: short stacking energy: -67.332
Base-Backbone interact. energy: -3.522
local terms energy: -173.843023
where:
bonds (distance) C4'-P energy: -61.001
bonds (distance) P-C4' energy: -54.249
flat angles C4'-P-C4' energy: -48.581
flat angles P-C4'-P energy: -31.329
tors. eta vs tors. theta energy: 21.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 52
Temperature: 0.900000
Total energy: -1003.234239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1003.234239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1003.234239 (E_RNA)
where:
Base-Base interactions energy: -629.612
where: short stacking energy: -306.536
Base-Backbone interact. energy: -1.412
local terms energy: -372.210874
where:
bonds (distance) C4'-P energy: -74.013
bonds (distance) P-C4' energy: -65.082
flat angles C4'-P-C4' energy: -79.669
flat angles P-C4'-P energy: -58.186
tors. eta vs tors. theta energy: -95.261
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 52
Temperature: 0.950000
Total energy: -929.143888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -929.143888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -929.143888 (E_RNA)
where:
Base-Base interactions energy: -613.633
where: short stacking energy: -260.417
Base-Backbone interact. energy: -3.651
local terms energy: -311.859925
where:
bonds (distance) C4'-P energy: -61.698
bonds (distance) P-C4' energy: -70.787
flat angles C4'-P-C4' energy: -64.784
flat angles P-C4'-P energy: -41.436
tors. eta vs tors. theta energy: -73.153
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 52
Temperature: 1.000000
Total energy: -804.777623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -804.777623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -804.777623 (E_RNA)
where:
Base-Base interactions energy: -500.555
where: short stacking energy: -259.658
Base-Backbone interact. energy: -3.401
local terms energy: -300.821973
where:
bonds (distance) C4'-P energy: -61.934
bonds (distance) P-C4' energy: -54.972
flat angles C4'-P-C4' energy: -69.707
flat angles P-C4'-P energy: -42.018
tors. eta vs tors. theta energy: -72.191
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: 5
=====================================
Write number: 52
Temperature: 1.050000
Total energy: -773.261015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -773.261015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -773.261015 (E_RNA)
where:
Base-Base interactions energy: -476.339
where: short stacking energy: -243.935
Base-Backbone interact. energy: -0.952
local terms energy: -295.970861
where:
bonds (distance) C4'-P energy: -62.388
bonds (distance) P-C4' energy: -50.614
flat angles C4'-P-C4' energy: -64.264
flat angles P-C4'-P energy: -42.889
tors. eta vs tors. theta energy: -75.815
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 52
Temperature: 1.100000
Total energy: -556.104587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.104587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -556.104587 (E_RNA)
where:
Base-Base interactions energy: -290.859
where: short stacking energy: -146.158
Base-Backbone interact. energy: -0.174
local terms energy: -265.071241
where:
bonds (distance) C4'-P energy: -58.555
bonds (distance) P-C4' energy: -68.601
flat angles C4'-P-C4' energy: -68.313
flat angles P-C4'-P energy: -40.161
tors. eta vs tors. theta energy: -29.441
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 52
Temperature: 1.150000
Total energy: -423.437889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -423.437889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -423.437889 (E_RNA)
where:
Base-Base interactions energy: -203.377
where: short stacking energy: -126.582
Base-Backbone interact. energy: 0.427
local terms energy: -220.487627
where:
bonds (distance) C4'-P energy: -71.316
bonds (distance) P-C4' energy: -50.058
flat angles C4'-P-C4' energy: -61.320
flat angles P-C4'-P energy: -29.674
tors. eta vs tors. theta energy: -8.120
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 52
Temperature: 1.200000
Total energy: -331.520604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.520604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.520604 (E_RNA)
where:
Base-Base interactions energy: -108.198
where: short stacking energy: -79.558
Base-Backbone interact. energy: -0.627
local terms energy: -222.696126
where:
bonds (distance) C4'-P energy: -62.775
bonds (distance) P-C4' energy: -64.296
flat angles C4'-P-C4' energy: -54.915
flat angles P-C4'-P energy: -37.912
tors. eta vs tors. theta energy: -2.798
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 52
Temperature: 1.250000
Total energy: -315.549899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.549899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.549899 (E_RNA)
where:
Base-Base interactions energy: -114.710
where: short stacking energy: -92.727
Base-Backbone interact. energy: -2.043
local terms energy: -198.796377
where:
bonds (distance) C4'-P energy: -59.443
bonds (distance) P-C4' energy: -61.719
flat angles C4'-P-C4' energy: -47.524
flat angles P-C4'-P energy: -32.902
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: 9
=====================================
Write number: 52
Temperature: 1.300000
Total energy: -311.556314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.556314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.556314 (E_RNA)
where:
Base-Base interactions energy: -123.782
where: short stacking energy: -80.754
Base-Backbone interact. energy: -0.529
local terms energy: -187.245000
where:
bonds (distance) C4'-P energy: -48.417
bonds (distance) P-C4' energy: -60.331
flat angles C4'-P-C4' energy: -48.193
flat angles P-C4'-P energy: -36.477
tors. eta vs tors. theta energy: 6.172
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: 7
=====================================
Write number: 52
Temperature: 1.350000
Total energy: -265.655755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.655755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.655755 (E_RNA)
where:
Base-Base interactions energy: -88.945
where: short stacking energy: -71.707
Base-Backbone interact. energy: 0.833
local terms energy: -177.543468
where:
bonds (distance) C4'-P energy: -46.025
bonds (distance) P-C4' energy: -63.667
flat angles C4'-P-C4' energy: -44.405
flat angles P-C4'-P energy: -34.445
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: 1, replica: 4
=====================================
Write number: 53
Temperature: 0.900000
Total energy: -1011.495081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1011.495081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1011.495081 (E_RNA)
where:
Base-Base interactions energy: -646.945
where: short stacking energy: -309.782
Base-Backbone interact. energy: -1.736
local terms energy: -362.814823
where:
bonds (distance) C4'-P energy: -63.539
bonds (distance) P-C4' energy: -67.412
flat angles C4'-P-C4' energy: -76.891
flat angles P-C4'-P energy: -51.476
tors. eta vs tors. theta energy: -103.496
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: 53
Temperature: 0.950000
Total energy: -936.109149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -936.109149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -936.109149 (E_RNA)
where:
Base-Base interactions energy: -611.536
where: short stacking energy: -279.476
Base-Backbone interact. energy: -1.440
local terms energy: -323.132604
where:
bonds (distance) C4'-P energy: -68.539
bonds (distance) P-C4' energy: -65.404
flat angles C4'-P-C4' energy: -74.790
flat angles P-C4'-P energy: -41.521
tors. eta vs tors. theta energy: -72.878
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 53
Temperature: 1.000000
Total energy: -803.787942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -803.787942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -803.787942 (E_RNA)
where:
Base-Base interactions energy: -485.432
where: short stacking energy: -264.432
Base-Backbone interact. energy: -1.281
local terms energy: -317.075057
where:
bonds (distance) C4'-P energy: -66.785
bonds (distance) P-C4' energy: -70.514
flat angles C4'-P-C4' energy: -71.094
flat angles P-C4'-P energy: -48.117
tors. eta vs tors. theta energy: -60.566
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 53
Temperature: 1.050000
Total energy: -701.401443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -701.401443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -701.401443 (E_RNA)
where:
Base-Base interactions energy: -424.168
where: short stacking energy: -211.000
Base-Backbone interact. energy: -0.789
local terms energy: -276.443858
where:
bonds (distance) C4'-P energy: -57.944
bonds (distance) P-C4' energy: -67.896
flat angles C4'-P-C4' energy: -62.435
flat angles P-C4'-P energy: -43.463
tors. eta vs tors. theta energy: -44.705
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 53
Temperature: 1.100000
Total energy: -587.588800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -587.588800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -587.588800 (E_RNA)
where:
Base-Base interactions energy: -332.515
where: short stacking energy: -156.619
Base-Backbone interact. energy: -1.014
local terms energy: -254.059852
where:
bonds (distance) C4'-P energy: -53.885
bonds (distance) P-C4' energy: -58.645
flat angles C4'-P-C4' energy: -59.372
flat angles P-C4'-P energy: -48.960
tors. eta vs tors. theta energy: -33.198
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 53
Temperature: 1.150000
Total energy: -408.270778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -408.270778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -408.270778 (E_RNA)
where:
Base-Base interactions energy: -180.585
where: short stacking energy: -140.479
Base-Backbone interact. energy: -1.322
local terms energy: -226.363873
where:
bonds (distance) C4'-P energy: -53.593
bonds (distance) P-C4' energy: -73.778
flat angles C4'-P-C4' energy: -62.586
flat angles P-C4'-P energy: -24.944
tors. eta vs tors. theta energy: -11.462
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 53
Temperature: 1.200000
Total energy: -344.765020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.765020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.765020 (E_RNA)
where:
Base-Base interactions energy: -118.093
where: short stacking energy: -105.756
Base-Backbone interact. energy: 1.290
local terms energy: -227.961945
where:
bonds (distance) C4'-P energy: -61.575
bonds (distance) P-C4' energy: -61.223
flat angles C4'-P-C4' energy: -56.177
flat angles P-C4'-P energy: -34.616
tors. eta vs tors. theta energy: -14.371
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: 53
Temperature: 1.250000
Total energy: -317.281455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.281455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.281455 (E_RNA)
where:
Base-Base interactions energy: -121.938
where: short stacking energy: -91.577
Base-Backbone interact. energy: 0.066
local terms energy: -195.409144
where:
bonds (distance) C4'-P energy: -45.408
bonds (distance) P-C4' energy: -71.609
flat angles C4'-P-C4' energy: -50.622
flat angles P-C4'-P energy: -33.610
tors. eta vs tors. theta energy: 5.840
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 53
Temperature: 1.300000
Total energy: -321.425868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.425868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.425868 (E_RNA)
where:
Base-Base interactions energy: -134.432
where: short stacking energy: -84.474
Base-Backbone interact. energy: -0.861
local terms energy: -186.132181
where:
bonds (distance) C4'-P energy: -45.261
bonds (distance) P-C4' energy: -54.036
flat angles C4'-P-C4' energy: -61.205
flat angles P-C4'-P energy: -34.659
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: 10, replica: 7
=====================================
Write number: 53
Temperature: 1.350000
Total energy: -286.243938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.243938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.243938 (E_RNA)
where:
Base-Base interactions energy: -121.282
where: short stacking energy: -59.932
Base-Backbone interact. energy: 1.370
local terms energy: -166.331981
where:
bonds (distance) C4'-P energy: -64.328
bonds (distance) P-C4' energy: -56.403
flat angles C4'-P-C4' energy: -42.397
flat angles P-C4'-P energy: -17.733
tors. eta vs tors. theta energy: 14.529
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 54
Temperature: 0.900000
Total energy: -1024.586673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1024.586673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1024.586673 (E_RNA)
where:
Base-Base interactions energy: -644.903
where: short stacking energy: -321.772
Base-Backbone interact. energy: 0.215
local terms energy: -379.898367
where:
bonds (distance) C4'-P energy: -70.792
bonds (distance) P-C4' energy: -64.393
flat angles C4'-P-C4' energy: -84.526
flat angles P-C4'-P energy: -57.180
tors. eta vs tors. theta energy: -103.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 54
Temperature: 0.950000
Total energy: -941.781136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -941.781136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -941.781136 (E_RNA)
where:
Base-Base interactions energy: -604.254
where: short stacking energy: -262.344
Base-Backbone interact. energy: -1.933
local terms energy: -335.593529
where:
bonds (distance) C4'-P energy: -68.356
bonds (distance) P-C4' energy: -69.483
flat angles C4'-P-C4' energy: -73.319
flat angles P-C4'-P energy: -43.156
tors. eta vs tors. theta energy: -81.279
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 54
Temperature: 1.000000
Total energy: -806.860949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -806.860949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -806.860949 (E_RNA)
where:
Base-Base interactions energy: -462.655
where: short stacking energy: -228.590
Base-Backbone interact. energy: -1.451
local terms energy: -342.754716
where:
bonds (distance) C4'-P energy: -64.513
bonds (distance) P-C4' energy: -77.355
flat angles C4'-P-C4' energy: -79.268
flat angles P-C4'-P energy: -50.085
tors. eta vs tors. theta energy: -71.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 54
Temperature: 1.050000
Total energy: -687.261390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -687.261390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -687.261390 (E_RNA)
where:
Base-Base interactions energy: -380.229
where: short stacking energy: -213.521
Base-Backbone interact. energy: -1.268
local terms energy: -305.763547
where:
bonds (distance) C4'-P energy: -70.566
bonds (distance) P-C4' energy: -62.306
flat angles C4'-P-C4' energy: -75.067
flat angles P-C4'-P energy: -45.120
tors. eta vs tors. theta energy: -52.705
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 54
Temperature: 1.100000
Total energy: -597.568095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -597.568095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -597.568095 (E_RNA)
where:
Base-Base interactions energy: -336.043
where: short stacking energy: -141.822
Base-Backbone interact. energy: 0.232
local terms energy: -261.757017
where:
bonds (distance) C4'-P energy: -60.986
bonds (distance) P-C4' energy: -75.907
flat angles C4'-P-C4' energy: -64.503
flat angles P-C4'-P energy: -36.574
tors. eta vs tors. theta energy: -23.786
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 54
Temperature: 1.150000
Total energy: -360.021020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.021020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.021020 (E_RNA)
where:
Base-Base interactions energy: -129.279
where: short stacking energy: -105.968
Base-Backbone interact. energy: -1.547
local terms energy: -229.195425
where:
bonds (distance) C4'-P energy: -64.507
bonds (distance) P-C4' energy: -59.396
flat angles C4'-P-C4' energy: -61.773
flat angles P-C4'-P energy: -38.563
tors. eta vs tors. theta energy: -4.957
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: 7, replica: 10
=====================================
Write number: 54
Temperature: 1.200000
Total energy: -369.800329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.800329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.800329 (E_RNA)
where:
Base-Base interactions energy: -122.906
where: short stacking energy: -96.707
Base-Backbone interact. energy: -0.606
local terms energy: -246.288308
where:
bonds (distance) C4'-P energy: -62.981
bonds (distance) P-C4' energy: -59.006
flat angles C4'-P-C4' energy: -69.614
flat angles P-C4'-P energy: -26.620
tors. eta vs tors. theta energy: -28.067
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 54
Temperature: 1.250000
Total energy: -317.542417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.542417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.542417 (E_RNA)
where:
Base-Base interactions energy: -100.622
where: short stacking energy: -84.552
Base-Backbone interact. energy: 1.964
local terms energy: -218.883952
where:
bonds (distance) C4'-P energy: -56.367
bonds (distance) P-C4' energy: -72.909
flat angles C4'-P-C4' energy: -53.616
flat angles P-C4'-P energy: -39.504
tors. eta vs tors. theta energy: 3.512
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 54
Temperature: 1.300000
Total energy: -281.406006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.406006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.406006 (E_RNA)
where:
Base-Base interactions energy: -79.478
where: short stacking energy: -59.189
Base-Backbone interact. energy: 1.439
local terms energy: -203.367254
where:
bonds (distance) C4'-P energy: -59.351
bonds (distance) P-C4' energy: -65.604
flat angles C4'-P-C4' energy: -61.768
flat angles P-C4'-P energy: -33.642
tors. eta vs tors. theta energy: 16.998
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 54
Temperature: 1.350000
Total energy: -271.830422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.830422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.830422 (E_RNA)
where:
Base-Base interactions energy: -98.992
where: short stacking energy: -83.851
Base-Backbone interact. energy: 1.959
local terms energy: -174.797252
where:
bonds (distance) C4'-P energy: -57.130
bonds (distance) P-C4' energy: -65.214
flat angles C4'-P-C4' energy: -34.451
flat angles P-C4'-P energy: -28.843
tors. eta vs tors. theta energy: 10.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 55
Temperature: 0.900000
Total energy: -1031.986042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1031.986042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1031.986042 (E_RNA)
where:
Base-Base interactions energy: -666.429
where: short stacking energy: -333.590
Base-Backbone interact. energy: -1.863
local terms energy: -363.693438
where:
bonds (distance) C4'-P energy: -61.543
bonds (distance) P-C4' energy: -72.362
flat angles C4'-P-C4' energy: -77.481
flat angles P-C4'-P energy: -46.103
tors. eta vs tors. theta energy: -106.205
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: 3
=====================================
Write number: 55
Temperature: 0.950000
Total energy: -957.537414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -957.537414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -957.537414 (E_RNA)
where:
Base-Base interactions energy: -618.845
where: short stacking energy: -285.170
Base-Backbone interact. energy: -4.204
local terms energy: -334.488911
where:
bonds (distance) C4'-P energy: -73.148
bonds (distance) P-C4' energy: -69.398
flat angles C4'-P-C4' energy: -69.729
flat angles P-C4'-P energy: -41.712
tors. eta vs tors. theta energy: -80.503
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 55
Temperature: 1.000000
Total energy: -822.701045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -822.701045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -822.701045 (E_RNA)
where:
Base-Base interactions energy: -514.338
where: short stacking energy: -250.909
Base-Backbone interact. energy: -1.172
local terms energy: -307.191349
where:
bonds (distance) C4'-P energy: -57.066
bonds (distance) P-C4' energy: -63.053
flat angles C4'-P-C4' energy: -68.482
flat angles P-C4'-P energy: -45.501
tors. eta vs tors. theta energy: -73.090
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: 5
=====================================
Write number: 55
Temperature: 1.050000
Total energy: -673.910035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -673.910035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -673.910035 (E_RNA)
where:
Base-Base interactions energy: -371.490
where: short stacking energy: -200.963
Base-Backbone interact. energy: -0.908
local terms energy: -301.512091
where:
bonds (distance) C4'-P energy: -52.769
bonds (distance) P-C4' energy: -65.236
flat angles C4'-P-C4' energy: -66.042
flat angles P-C4'-P energy: -56.437
tors. eta vs tors. theta energy: -61.028
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 55
Temperature: 1.100000
Total energy: -555.146242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -555.146242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -555.146242 (E_RNA)
where:
Base-Base interactions energy: -308.654
where: short stacking energy: -144.167
Base-Backbone interact. energy: -1.763
local terms energy: -244.729740
where:
bonds (distance) C4'-P energy: -64.831
bonds (distance) P-C4' energy: -59.848
flat angles C4'-P-C4' energy: -53.120
flat angles P-C4'-P energy: -44.549
tors. eta vs tors. theta energy: -22.382
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: 8
=====================================
Write number: 55
Temperature: 1.150000
Total energy: -383.635614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -383.635614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -383.635614 (E_RNA)
where:
Base-Base interactions energy: -127.775
where: short stacking energy: -94.677
Base-Backbone interact. energy: -0.487
local terms energy: -255.374096
where:
bonds (distance) C4'-P energy: -63.800
bonds (distance) P-C4' energy: -72.317
flat angles C4'-P-C4' energy: -63.733
flat angles P-C4'-P energy: -39.324
tors. eta vs tors. theta energy: -16.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 55
Temperature: 1.200000
Total energy: -346.867322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.867322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.867322 (E_RNA)
where:
Base-Base interactions energy: -119.211
where: short stacking energy: -83.773
Base-Backbone interact. energy: -1.078
local terms energy: -226.578833
where:
bonds (distance) C4'-P energy: -58.136
bonds (distance) P-C4' energy: -64.527
flat angles C4'-P-C4' energy: -53.227
flat angles P-C4'-P energy: -39.629
tors. eta vs tors. theta energy: -11.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 55
Temperature: 1.250000
Total energy: -335.034781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.034781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.034781 (E_RNA)
where:
Base-Base interactions energy: -116.480
where: short stacking energy: -81.649
Base-Backbone interact. energy: 2.218
local terms energy: -220.773030
where:
bonds (distance) C4'-P energy: -55.937
bonds (distance) P-C4' energy: -67.696
flat angles C4'-P-C4' energy: -64.725
flat angles P-C4'-P energy: -31.932
tors. eta vs tors. theta energy: -0.482
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: 7
=====================================
Write number: 55
Temperature: 1.300000
Total energy: -287.542341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.542341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.542341 (E_RNA)
where:
Base-Base interactions energy: -103.995
where: short stacking energy: -63.364
Base-Backbone interact. energy: -4.488
local terms energy: -179.059153
where:
bonds (distance) C4'-P energy: -55.417
bonds (distance) P-C4' energy: -58.807
flat angles C4'-P-C4' energy: -62.154
flat angles P-C4'-P energy: -32.387
tors. eta vs tors. theta energy: 29.707
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: 9
=====================================
Write number: 55
Temperature: 1.350000
Total energy: -269.337053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.337053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.337053 (E_RNA)
where:
Base-Base interactions energy: -94.278
where: short stacking energy: -74.267
Base-Backbone interact. energy: 6.780
local terms energy: -181.838469
where:
bonds (distance) C4'-P energy: -52.354
bonds (distance) P-C4' energy: -57.275
flat angles C4'-P-C4' energy: -49.312
flat angles P-C4'-P energy: -36.184
tors. eta vs tors. theta energy: 13.286
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 56
Temperature: 0.900000
Total energy: -1021.329757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1021.329757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1021.329757 (E_RNA)
where:
Base-Base interactions energy: -648.964
where: short stacking energy: -333.200
Base-Backbone interact. energy: 0.278
local terms energy: -372.643817
where:
bonds (distance) C4'-P energy: -77.621
bonds (distance) P-C4' energy: -59.334
flat angles C4'-P-C4' energy: -77.779
flat angles P-C4'-P energy: -51.223
tors. eta vs tors. theta energy: -106.687
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: 56
Temperature: 0.950000
Total energy: -951.240976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -951.240976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -951.240976 (E_RNA)
where:
Base-Base interactions energy: -616.940
where: short stacking energy: -269.890
Base-Backbone interact. energy: -4.809
local terms energy: -329.491792
where:
bonds (distance) C4'-P energy: -70.983
bonds (distance) P-C4' energy: -70.700
flat angles C4'-P-C4' energy: -71.356
flat angles P-C4'-P energy: -39.476
tors. eta vs tors. theta energy: -76.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 56
Temperature: 1.000000
Total energy: -809.519332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -809.519332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -809.519332 (E_RNA)
where:
Base-Base interactions energy: -490.737
where: short stacking energy: -253.399
Base-Backbone interact. energy: 2.134
local terms energy: -320.917065
where:
bonds (distance) C4'-P energy: -70.761
bonds (distance) P-C4' energy: -70.508
flat angles C4'-P-C4' energy: -74.872
flat angles P-C4'-P energy: -42.543
tors. eta vs tors. theta energy: -62.233
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 56
Temperature: 1.050000
Total energy: -647.560606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -647.560606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -647.560606 (E_RNA)
where:
Base-Base interactions energy: -356.555
where: short stacking energy: -197.967
Base-Backbone interact. energy: 0.719
local terms energy: -291.724859
where:
bonds (distance) C4'-P energy: -71.994
bonds (distance) P-C4' energy: -71.999
flat angles C4'-P-C4' energy: -68.475
flat angles P-C4'-P energy: -34.254
tors. eta vs tors. theta energy: -45.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 56
Temperature: 1.100000
Total energy: -499.947876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.947876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.947876 (E_RNA)
where:
Base-Base interactions energy: -262.574
where: short stacking energy: -151.657
Base-Backbone interact. energy: -2.398
local terms energy: -234.976094
where:
bonds (distance) C4'-P energy: -67.123
bonds (distance) P-C4' energy: -67.841
flat angles C4'-P-C4' energy: -46.112
flat angles P-C4'-P energy: -40.153
tors. eta vs tors. theta energy: -13.746
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 56
Temperature: 1.150000
Total energy: -389.494793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -389.494793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -389.494793 (E_RNA)
where:
Base-Base interactions energy: -167.248
where: short stacking energy: -126.135
Base-Backbone interact. energy: -2.173
local terms energy: -220.073568
where:
bonds (distance) C4'-P energy: -51.771
bonds (distance) P-C4' energy: -66.244
flat angles C4'-P-C4' energy: -50.706
flat angles P-C4'-P energy: -35.557
tors. eta vs tors. theta energy: -15.797
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: 6
=====================================
Write number: 56
Temperature: 1.200000
Total energy: -328.993832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.993832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.993832 (E_RNA)
where:
Base-Base interactions energy: -137.766
where: short stacking energy: -68.526
Base-Backbone interact. energy: -1.091
local terms energy: -190.137241
where:
bonds (distance) C4'-P energy: -56.747
bonds (distance) P-C4' energy: -59.146
flat angles C4'-P-C4' energy: -53.717
flat angles P-C4'-P energy: -30.852
tors. eta vs tors. theta energy: 10.325
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: 10
=====================================
Write number: 56
Temperature: 1.250000
Total energy: -335.877698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.877698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.877698 (E_RNA)
where:
Base-Base interactions energy: -128.433
where: short stacking energy: -81.413
Base-Backbone interact. energy: -1.585
local terms energy: -205.859638
where:
bonds (distance) C4'-P energy: -49.801
bonds (distance) P-C4' energy: -53.647
flat angles C4'-P-C4' energy: -58.825
flat angles P-C4'-P energy: -33.399
tors. eta vs tors. theta energy: -10.188
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 56
Temperature: 1.300000
Total energy: -283.088060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.088060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.088060 (E_RNA)
where:
Base-Base interactions energy: -80.471
where: short stacking energy: -70.446
Base-Backbone interact. energy: -0.872
local terms energy: -201.745767
where:
bonds (distance) C4'-P energy: -57.313
bonds (distance) P-C4' energy: -55.303
flat angles C4'-P-C4' energy: -64.633
flat angles P-C4'-P energy: -24.691
tors. eta vs tors. theta energy: 0.194
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: 7
=====================================
Write number: 56
Temperature: 1.350000
Total energy: -284.353828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.353828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.353828 (E_RNA)
where:
Base-Base interactions energy: -94.639
where: short stacking energy: -72.361
Base-Backbone interact. energy: -1.729
local terms energy: -187.984928
where:
bonds (distance) C4'-P energy: -55.155
bonds (distance) P-C4' energy: -63.871
flat angles C4'-P-C4' energy: -56.768
flat angles P-C4'-P energy: -22.953
tors. eta vs tors. theta energy: 10.763
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: 4
=====================================
Write number: 57
Temperature: 0.900000
Total energy: -1028.536996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1028.536996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1028.536996 (E_RNA)
where:
Base-Base interactions energy: -666.592
where: short stacking energy: -315.042
Base-Backbone interact. energy: -0.591
local terms energy: -361.354006
where:
bonds (distance) C4'-P energy: -69.218
bonds (distance) P-C4' energy: -65.375
flat angles C4'-P-C4' energy: -72.323
flat angles P-C4'-P energy: -49.543
tors. eta vs tors. theta energy: -104.896
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: 2, replica: 3
=====================================
Write number: 57
Temperature: 0.950000
Total energy: -959.287518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -959.287518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -959.287518 (E_RNA)
where:
Base-Base interactions energy: -636.598
where: short stacking energy: -274.433
Base-Backbone interact. energy: -4.461
local terms energy: -318.228588
where:
bonds (distance) C4'-P energy: -62.487
bonds (distance) P-C4' energy: -65.907
flat angles C4'-P-C4' energy: -72.164
flat angles P-C4'-P energy: -43.438
tors. eta vs tors. theta energy: -74.233
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 57
Temperature: 1.000000
Total energy: -837.076507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -837.076507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -837.076507 (E_RNA)
where:
Base-Base interactions energy: -529.661
where: short stacking energy: -254.719
Base-Backbone interact. energy: -1.410
local terms energy: -306.005616
where:
bonds (distance) C4'-P energy: -50.584
bonds (distance) P-C4' energy: -64.751
flat angles C4'-P-C4' energy: -71.801
flat angles P-C4'-P energy: -45.886
tors. eta vs tors. theta energy: -72.984
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 57
Temperature: 1.050000
Total energy: -684.410392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -684.410392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -684.410392 (E_RNA)
where:
Base-Base interactions energy: -394.610
where: short stacking energy: -201.288
Base-Backbone interact. energy: -0.682
local terms energy: -289.118243
where:
bonds (distance) C4'-P energy: -66.069
bonds (distance) P-C4' energy: -72.747
flat angles C4'-P-C4' energy: -57.037
flat angles P-C4'-P energy: -48.565
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: 5, replica: 2
=====================================
Write number: 57
Temperature: 1.100000
Total energy: -487.891802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.891802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.891802 (E_RNA)
where:
Base-Base interactions energy: -230.482
where: short stacking energy: -153.004
Base-Backbone interact. energy: 2.187
local terms energy: -259.596540
where:
bonds (distance) C4'-P energy: -55.484
bonds (distance) P-C4' energy: -68.317
flat angles C4'-P-C4' energy: -71.693
flat angles P-C4'-P energy: -43.924
tors. eta vs tors. theta energy: -20.178
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 57
Temperature: 1.150000
Total energy: -398.407838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -398.407838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -398.407838 (E_RNA)
where:
Base-Base interactions energy: -176.139
where: short stacking energy: -128.974
Base-Backbone interact. energy: 1.803
local terms energy: -224.072034
where:
bonds (distance) C4'-P energy: -64.611
bonds (distance) P-C4' energy: -66.462
flat angles C4'-P-C4' energy: -54.619
flat angles P-C4'-P energy: -28.286
tors. eta vs tors. theta energy: -10.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 57
Temperature: 1.200000
Total energy: -306.340026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.340026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.340026 (E_RNA)
where:
Base-Base interactions energy: -111.173
where: short stacking energy: -89.630
Base-Backbone interact. energy: -2.844
local terms energy: -192.322586
where:
bonds (distance) C4'-P energy: -49.309
bonds (distance) P-C4' energy: -67.685
flat angles C4'-P-C4' energy: -41.846
flat angles P-C4'-P energy: -45.480
tors. eta vs tors. theta energy: 11.998
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 57
Temperature: 1.250000
Total energy: -335.619194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.619194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.619194 (E_RNA)
where:
Base-Base interactions energy: -131.889
where: short stacking energy: -98.298
Base-Backbone interact. energy: 1.606
local terms energy: -205.336773
where:
bonds (distance) C4'-P energy: -54.020
bonds (distance) P-C4' energy: -70.332
flat angles C4'-P-C4' energy: -52.970
flat angles P-C4'-P energy: -31.011
tors. eta vs tors. theta energy: 2.997
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 57
Temperature: 1.300000
Total energy: -295.980246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.980246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.980246 (E_RNA)
where:
Base-Base interactions energy: -114.699
where: short stacking energy: -82.611
Base-Backbone interact. energy: 1.819
local terms energy: -183.099813
where:
bonds (distance) C4'-P energy: -56.699
bonds (distance) P-C4' energy: -56.776
flat angles C4'-P-C4' energy: -51.691
flat angles P-C4'-P energy: -25.779
tors. eta vs tors. theta energy: 7.845
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: 57
Temperature: 1.350000
Total energy: -282.156744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.156744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.156744 (E_RNA)
where:
Base-Base interactions energy: -100.124
where: short stacking energy: -86.313
Base-Backbone interact. energy: 2.263
local terms energy: -184.295318
where:
bonds (distance) C4'-P energy: -54.500
bonds (distance) P-C4' energy: -49.703
flat angles C4'-P-C4' energy: -61.886
flat angles P-C4'-P energy: -19.814
tors. eta vs tors. theta energy: 1.607
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 58
Temperature: 0.900000
Total energy: -1018.747073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1018.747073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1018.747073 (E_RNA)
where:
Base-Base interactions energy: -645.908
where: short stacking energy: -325.593
Base-Backbone interact. energy: -0.634
local terms energy: -372.205932
where:
bonds (distance) C4'-P energy: -76.046
bonds (distance) P-C4' energy: -73.445
flat angles C4'-P-C4' energy: -72.512
flat angles P-C4'-P energy: -51.146
tors. eta vs tors. theta energy: -99.057
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: 58
Temperature: 0.950000
Total energy: -982.307492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -982.307492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -982.307492 (E_RNA)
where:
Base-Base interactions energy: -650.575
where: short stacking energy: -273.707
Base-Backbone interact. energy: 0.704
local terms energy: -332.436008
where:
bonds (distance) C4'-P energy: -65.683
bonds (distance) P-C4' energy: -73.050
flat angles C4'-P-C4' energy: -76.479
flat angles P-C4'-P energy: -43.966
tors. eta vs tors. theta energy: -73.258
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: 58
Temperature: 1.000000
Total energy: -834.909947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -834.909947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -834.909947 (E_RNA)
where:
Base-Base interactions energy: -522.376
where: short stacking energy: -250.946
Base-Backbone interact. energy: -0.220
local terms energy: -312.314230
where:
bonds (distance) C4'-P energy: -62.789
bonds (distance) P-C4' energy: -60.107
flat angles C4'-P-C4' energy: -69.761
flat angles P-C4'-P energy: -51.638
tors. eta vs tors. theta energy: -68.018
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: 5
=====================================
Write number: 58
Temperature: 1.050000
Total energy: -689.379078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -689.379078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -689.379078 (E_RNA)
where:
Base-Base interactions energy: -405.099
where: short stacking energy: -213.965
Base-Backbone interact. energy: -1.472
local terms energy: -282.807988
where:
bonds (distance) C4'-P energy: -64.877
bonds (distance) P-C4' energy: -59.435
flat angles C4'-P-C4' energy: -58.477
flat angles P-C4'-P energy: -39.381
tors. eta vs tors. theta energy: -60.638
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: 2
=====================================
Write number: 58
Temperature: 1.100000
Total energy: -456.576080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -456.576080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -456.576080 (E_RNA)
where:
Base-Base interactions energy: -218.871
where: short stacking energy: -149.029
Base-Backbone interact. energy: -0.484
local terms energy: -237.221036
where:
bonds (distance) C4'-P energy: -68.469
bonds (distance) P-C4' energy: -64.700
flat angles C4'-P-C4' energy: -53.798
flat angles P-C4'-P energy: -36.540
tors. eta vs tors. theta energy: -13.714
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 58
Temperature: 1.150000
Total energy: -435.500039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -435.500039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -435.500039 (E_RNA)
where:
Base-Base interactions energy: -211.494
where: short stacking energy: -128.355
Base-Backbone interact. energy: -0.509
local terms energy: -223.497254
where:
bonds (distance) C4'-P energy: -47.725
bonds (distance) P-C4' energy: -70.779
flat angles C4'-P-C4' energy: -63.127
flat angles P-C4'-P energy: -31.009
tors. eta vs tors. theta energy: -10.858
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 58
Temperature: 1.200000
Total energy: -327.465958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.465958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.465958 (E_RNA)
where:
Base-Base interactions energy: -112.375
where: short stacking energy: -99.943
Base-Backbone interact. energy: 4.078
local terms energy: -219.169775
where:
bonds (distance) C4'-P energy: -66.939
bonds (distance) P-C4' energy: -56.284
flat angles C4'-P-C4' energy: -47.140
flat angles P-C4'-P energy: -38.131
tors. eta vs tors. theta energy: -10.676
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: 8
=====================================
Write number: 58
Temperature: 1.250000
Total energy: -322.897222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.897222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.897222 (E_RNA)
where:
Base-Base interactions energy: -126.941
where: short stacking energy: -99.380
Base-Backbone interact. energy: 1.190
local terms energy: -197.146167
where:
bonds (distance) C4'-P energy: -56.054
bonds (distance) P-C4' energy: -63.099
flat angles C4'-P-C4' energy: -54.663
flat angles P-C4'-P energy: -28.346
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: 58
Temperature: 1.300000
Total energy: -297.880603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.880603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.880603 (E_RNA)
where:
Base-Base interactions energy: -103.991
where: short stacking energy: -70.287
Base-Backbone interact. energy: -1.511
local terms energy: -192.378563
where:
bonds (distance) C4'-P energy: -50.139
bonds (distance) P-C4' energy: -67.126
flat angles C4'-P-C4' energy: -56.888
flat angles P-C4'-P energy: -32.709
tors. eta vs tors. theta energy: 14.483
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 58
Temperature: 1.350000
Total energy: -263.827474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.827474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.827474 (E_RNA)
where:
Base-Base interactions energy: -72.670
where: short stacking energy: -54.078
Base-Backbone interact. energy: -1.824
local terms energy: -189.333461
where:
bonds (distance) C4'-P energy: -54.097
bonds (distance) P-C4' energy: -74.958
flat angles C4'-P-C4' energy: -55.459
flat angles P-C4'-P energy: -28.595
tors. eta vs tors. theta energy: 23.774
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 59
Temperature: 0.900000
Total energy: -1060.996736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1060.996736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1060.996736 (E_RNA)
where:
Base-Base interactions energy: -687.786
where: short stacking energy: -320.672
Base-Backbone interact. energy: -0.065
local terms energy: -373.145369
where:
bonds (distance) C4'-P energy: -63.987
bonds (distance) P-C4' energy: -70.087
flat angles C4'-P-C4' energy: -76.566
flat angles P-C4'-P energy: -64.019
tors. eta vs tors. theta energy: -98.485
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: 3
=====================================
Write number: 59
Temperature: 0.950000
Total energy: -962.802857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -962.802857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -962.802857 (E_RNA)
where:
Base-Base interactions energy: -632.934
where: short stacking energy: -267.705
Base-Backbone interact. energy: -2.126
local terms energy: -327.742826
where:
bonds (distance) C4'-P energy: -72.620
bonds (distance) P-C4' energy: -69.540
flat angles C4'-P-C4' energy: -70.506
flat angles P-C4'-P energy: -39.813
tors. eta vs tors. theta energy: -75.264
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 59
Temperature: 1.000000
Total energy: -841.844353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -841.844353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -841.844353 (E_RNA)
where:
Base-Base interactions energy: -533.188
where: short stacking energy: -268.123
Base-Backbone interact. energy: 0.112
local terms energy: -308.769041
where:
bonds (distance) C4'-P energy: -58.207
bonds (distance) P-C4' energy: -65.089
flat angles C4'-P-C4' energy: -68.004
flat angles P-C4'-P energy: -40.664
tors. eta vs tors. theta energy: -76.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 59
Temperature: 1.050000
Total energy: -696.986665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -696.986665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -696.986665 (E_RNA)
where:
Base-Base interactions energy: -409.505
where: short stacking energy: -209.094
Base-Backbone interact. energy: -2.201
local terms energy: -285.280809
where:
bonds (distance) C4'-P energy: -60.168
bonds (distance) P-C4' energy: -66.992
flat angles C4'-P-C4' energy: -74.081
flat angles P-C4'-P energy: -33.174
tors. eta vs tors. theta energy: -50.865
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 59
Temperature: 1.100000
Total energy: -520.796874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.796874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.796874 (E_RNA)
where:
Base-Base interactions energy: -268.772
where: short stacking energy: -149.239
Base-Backbone interact. energy: 2.923
local terms energy: -254.947567
where:
bonds (distance) C4'-P energy: -60.151
bonds (distance) P-C4' energy: -63.300
flat angles C4'-P-C4' energy: -64.072
flat angles P-C4'-P energy: -41.107
tors. eta vs tors. theta energy: -26.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 59
Temperature: 1.150000
Total energy: -402.780171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -402.780171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -402.780171 (E_RNA)
where:
Base-Base interactions energy: -167.731
where: short stacking energy: -116.962
Base-Backbone interact. energy: -1.359
local terms energy: -233.690416
where:
bonds (distance) C4'-P energy: -54.622
bonds (distance) P-C4' energy: -66.189
flat angles C4'-P-C4' energy: -56.332
flat angles P-C4'-P energy: -38.735
tors. eta vs tors. theta energy: -17.812
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 59
Temperature: 1.200000
Total energy: -343.019859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.019859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.019859 (E_RNA)
where:
Base-Base interactions energy: -131.271
where: short stacking energy: -111.443
Base-Backbone interact. energy: -3.012
local terms energy: -208.737513
where:
bonds (distance) C4'-P energy: -63.287
bonds (distance) P-C4' energy: -50.586
flat angles C4'-P-C4' energy: -59.558
flat angles P-C4'-P energy: -26.268
tors. eta vs tors. theta energy: -9.038
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 59
Temperature: 1.250000
Total energy: -320.243762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.243762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.243762 (E_RNA)
where:
Base-Base interactions energy: -104.356
where: short stacking energy: -81.893
Base-Backbone interact. energy: 0.291
local terms energy: -216.178739
where:
bonds (distance) C4'-P energy: -56.196
bonds (distance) P-C4' energy: -70.743
flat angles C4'-P-C4' energy: -58.912
flat angles P-C4'-P energy: -38.370
tors. eta vs tors. theta energy: 8.042
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 59
Temperature: 1.300000
Total energy: -293.192552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.192552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.192552 (E_RNA)
where:
Base-Base interactions energy: -87.884
where: short stacking energy: -72.921
Base-Backbone interact. energy: -1.699
local terms energy: -203.608897
where:
bonds (distance) C4'-P energy: -65.640
bonds (distance) P-C4' energy: -68.784
flat angles C4'-P-C4' energy: -46.755
flat angles P-C4'-P energy: -42.228
tors. eta vs tors. theta energy: 19.798
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 59
Temperature: 1.350000
Total energy: -273.497265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.497265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.497265 (E_RNA)
where:
Base-Base interactions energy: -111.860
where: short stacking energy: -78.582
Base-Backbone interact. energy: -1.088
local terms energy: -160.549405
where:
bonds (distance) C4'-P energy: -50.182
bonds (distance) P-C4' energy: -46.485
flat angles C4'-P-C4' energy: -52.532
flat angles P-C4'-P energy: -18.895
tors. eta vs tors. theta energy: 7.544
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 60
Temperature: 0.900000
Total energy: -1022.574764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1022.574764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1022.574764 (E_RNA)
where:
Base-Base interactions energy: -683.250
where: short stacking energy: -318.045
Base-Backbone interact. energy: -0.095
local terms energy: -339.229943
where:
bonds (distance) C4'-P energy: -61.888
bonds (distance) P-C4' energy: -65.256
flat angles C4'-P-C4' energy: -74.216
flat angles P-C4'-P energy: -50.812
tors. eta vs tors. theta energy: -87.058
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: 3
=====================================
Write number: 60
Temperature: 0.950000
Total energy: -944.598766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -944.598766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -944.598766 (E_RNA)
where:
Base-Base interactions energy: -618.264
where: short stacking energy: -246.990
Base-Backbone interact. energy: -2.237
local terms energy: -324.098105
where:
bonds (distance) C4'-P energy: -65.957
bonds (distance) P-C4' energy: -67.364
flat angles C4'-P-C4' energy: -63.536
flat angles P-C4'-P energy: -51.021
tors. eta vs tors. theta energy: -76.221
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: 3, replica: 1
=====================================
Write number: 60
Temperature: 1.000000
Total energy: -826.012573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -826.012573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -826.012573 (E_RNA)
where:
Base-Base interactions energy: -503.228
where: short stacking energy: -250.369
Base-Backbone interact. energy: -1.251
local terms energy: -321.533555
where:
bonds (distance) C4'-P energy: -67.132
bonds (distance) P-C4' energy: -70.063
flat angles C4'-P-C4' energy: -70.015
flat angles P-C4'-P energy: -44.145
tors. eta vs tors. theta energy: -70.179
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: 5
=====================================
Write number: 60
Temperature: 1.050000
Total energy: -692.102284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -692.102284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -692.102284 (E_RNA)
where:
Base-Base interactions energy: -420.490
where: short stacking energy: -193.194
Base-Backbone interact. energy: -2.077
local terms energy: -269.534877
where:
bonds (distance) C4'-P energy: -52.163
bonds (distance) P-C4' energy: -57.102
flat angles C4'-P-C4' energy: -72.546
flat angles P-C4'-P energy: -40.250
tors. eta vs tors. theta energy: -47.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 60
Temperature: 1.100000
Total energy: -540.062520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.062520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.062520 (E_RNA)
where:
Base-Base interactions energy: -272.866
where: short stacking energy: -184.592
Base-Backbone interact. energy: 3.736
local terms energy: -270.932516
where:
bonds (distance) C4'-P energy: -59.319
bonds (distance) P-C4' energy: -73.745
flat angles C4'-P-C4' energy: -68.270
flat angles P-C4'-P energy: -32.552
tors. eta vs tors. theta energy: -37.046
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 60
Temperature: 1.150000
Total energy: -413.905179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.905179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -413.905179 (E_RNA)
where:
Base-Base interactions energy: -186.127
where: short stacking energy: -129.333
Base-Backbone interact. energy: -1.961
local terms energy: -225.817020
where:
bonds (distance) C4'-P energy: -59.399
bonds (distance) P-C4' energy: -65.736
flat angles C4'-P-C4' energy: -45.161
flat angles P-C4'-P energy: -42.761
tors. eta vs tors. theta energy: -12.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 60
Temperature: 1.200000
Total energy: -357.117488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.117488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.117488 (E_RNA)
where:
Base-Base interactions energy: -127.031
where: short stacking energy: -93.965
Base-Backbone interact. energy: 0.307
local terms energy: -230.393709
where:
bonds (distance) C4'-P energy: -66.268
bonds (distance) P-C4' energy: -65.288
flat angles C4'-P-C4' energy: -63.396
flat angles P-C4'-P energy: -37.867
tors. eta vs tors. theta energy: 2.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 60
Temperature: 1.250000
Total energy: -350.363922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.363922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.363922 (E_RNA)
where:
Base-Base interactions energy: -133.689
where: short stacking energy: -98.657
Base-Backbone interact. energy: -2.616
local terms energy: -214.058870
where:
bonds (distance) C4'-P energy: -53.788
bonds (distance) P-C4' energy: -67.042
flat angles C4'-P-C4' energy: -53.944
flat angles P-C4'-P energy: -33.594
tors. eta vs tors. theta energy: -5.691
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 60
Temperature: 1.300000
Total energy: -304.112187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.112187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.112187 (E_RNA)
where:
Base-Base interactions energy: -108.991
where: short stacking energy: -84.250
Base-Backbone interact. energy: -0.079
local terms energy: -195.041866
where:
bonds (distance) C4'-P energy: -58.412
bonds (distance) P-C4' energy: -53.889
flat angles C4'-P-C4' energy: -64.810
flat angles P-C4'-P energy: -30.229
tors. eta vs tors. theta energy: 12.297
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: 7
=====================================
Write number: 60
Temperature: 1.350000
Total energy: -275.797276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.797276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.797276 (E_RNA)
where:
Base-Base interactions energy: -82.848
where: short stacking energy: -76.332
Base-Backbone interact. energy: -2.486
local terms energy: -190.463828
where:
bonds (distance) C4'-P energy: -59.354
bonds (distance) P-C4' energy: -55.291
flat angles C4'-P-C4' energy: -53.239
flat angles P-C4'-P energy: -34.464
tors. eta vs tors. theta energy: 11.884
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 61
Temperature: 0.900000
Total energy: -1018.416947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1018.416947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1018.416947 (E_RNA)
where:
Base-Base interactions energy: -632.161
where: short stacking energy: -312.789
Base-Backbone interact. energy: -0.662
local terms energy: -385.594273
where:
bonds (distance) C4'-P energy: -73.750
bonds (distance) P-C4' energy: -71.537
flat angles C4'-P-C4' energy: -77.929
flat angles P-C4'-P energy: -57.604
tors. eta vs tors. theta energy: -104.773
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 61
Temperature: 0.950000
Total energy: -927.553470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -927.553470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -927.553470 (E_RNA)
where:
Base-Base interactions energy: -605.861
where: short stacking energy: -255.915
Base-Backbone interact. energy: -1.469
local terms energy: -320.223378
where:
bonds (distance) C4'-P energy: -62.432
bonds (distance) P-C4' energy: -78.081
flat angles C4'-P-C4' energy: -67.238
flat angles P-C4'-P energy: -49.120
tors. eta vs tors. theta energy: -63.352
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: 3, replica: 1
=====================================
Write number: 61
Temperature: 1.000000
Total energy: -844.158184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -844.158184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -844.158184 (E_RNA)
where:
Base-Base interactions energy: -524.375
where: short stacking energy: -270.069
Base-Backbone interact. energy: -0.044
local terms energy: -319.738957
where:
bonds (distance) C4'-P energy: -61.161
bonds (distance) P-C4' energy: -77.486
flat angles C4'-P-C4' energy: -70.347
flat angles P-C4'-P energy: -38.088
tors. eta vs tors. theta energy: -72.657
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 61
Temperature: 1.050000
Total energy: -749.797378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -749.797378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -749.797378 (E_RNA)
where:
Base-Base interactions energy: -450.850
where: short stacking energy: -231.324
Base-Backbone interact. energy: -2.392
local terms energy: -296.554785
where:
bonds (distance) C4'-P energy: -74.543
bonds (distance) P-C4' energy: -69.961
flat angles C4'-P-C4' energy: -66.595
flat angles P-C4'-P energy: -34.251
tors. eta vs tors. theta energy: -51.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 61
Temperature: 1.100000
Total energy: -594.677979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -594.677979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -594.677979 (E_RNA)
where:
Base-Base interactions energy: -326.619
where: short stacking energy: -193.230
Base-Backbone interact. energy: -1.150
local terms energy: -266.909247
where:
bonds (distance) C4'-P energy: -69.963
bonds (distance) P-C4' energy: -64.877
flat angles C4'-P-C4' energy: -63.767
flat angles P-C4'-P energy: -33.386
tors. eta vs tors. theta energy: -34.916
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 61
Temperature: 1.150000
Total energy: -382.572660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -382.572660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -382.572660 (E_RNA)
where:
Base-Base interactions energy: -163.964
where: short stacking energy: -102.095
Base-Backbone interact. energy: -0.593
local terms energy: -218.016212
where:
bonds (distance) C4'-P energy: -54.849
bonds (distance) P-C4' energy: -62.717
flat angles C4'-P-C4' energy: -54.826
flat angles P-C4'-P energy: -36.659
tors. eta vs tors. theta energy: -8.966
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: 10
=====================================
Write number: 61
Temperature: 1.200000
Total energy: -372.936156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -372.936156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -372.936156 (E_RNA)
where:
Base-Base interactions energy: -130.287
where: short stacking energy: -119.989
Base-Backbone interact. energy: -1.708
local terms energy: -240.941368
where:
bonds (distance) C4'-P energy: -63.907
bonds (distance) P-C4' energy: -63.546
flat angles C4'-P-C4' energy: -51.682
flat angles P-C4'-P energy: -40.894
tors. eta vs tors. theta energy: -20.913
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: 9
=====================================
Write number: 61
Temperature: 1.250000
Total energy: -305.227299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.227299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.227299 (E_RNA)
where:
Base-Base interactions energy: -107.824
where: short stacking energy: -74.359
Base-Backbone interact. energy: -0.653
local terms energy: -196.750061
where:
bonds (distance) C4'-P energy: -57.048
bonds (distance) P-C4' energy: -48.147
flat angles C4'-P-C4' energy: -64.197
flat angles P-C4'-P energy: -24.646
tors. eta vs tors. theta energy: -2.712
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: 8
=====================================
Write number: 61
Temperature: 1.300000
Total energy: -329.060430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.060430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.060430 (E_RNA)
where:
Base-Base interactions energy: -120.102
where: short stacking energy: -93.041
Base-Backbone interact. energy: 0.137
local terms energy: -209.095210
where:
bonds (distance) C4'-P energy: -61.566
bonds (distance) P-C4' energy: -62.716
flat angles C4'-P-C4' energy: -53.927
flat angles P-C4'-P energy: -21.298
tors. eta vs tors. theta energy: -9.588
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: 7
=====================================
Write number: 61
Temperature: 1.350000
Total energy: -262.365585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.365585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.365585 (E_RNA)
where:
Base-Base interactions energy: -96.451
where: short stacking energy: -70.589
Base-Backbone interact. energy: 1.550
local terms energy: -167.464365
where:
bonds (distance) C4'-P energy: -49.559
bonds (distance) P-C4' energy: -60.088
flat angles C4'-P-C4' energy: -48.238
flat angles P-C4'-P energy: -23.005
tors. eta vs tors. theta energy: 13.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 62
Temperature: 0.900000
Total energy: -1004.458501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1004.458501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1004.458501 (E_RNA)
where:
Base-Base interactions energy: -668.287
where: short stacking energy: -327.410
Base-Backbone interact. energy: -0.241
local terms energy: -335.930945
where:
bonds (distance) C4'-P energy: -65.570
bonds (distance) P-C4' energy: -65.655
flat angles C4'-P-C4' energy: -77.794
flat angles P-C4'-P energy: -33.657
tors. eta vs tors. theta energy: -93.256
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: 2, replica: 3
=====================================
Write number: 62
Temperature: 0.950000
Total energy: -946.305355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -946.305355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -946.305355 (E_RNA)
where:
Base-Base interactions energy: -608.563
where: short stacking energy: -256.254
Base-Backbone interact. energy: -4.392
local terms energy: -333.350643
where:
bonds (distance) C4'-P energy: -70.793
bonds (distance) P-C4' energy: -76.528
flat angles C4'-P-C4' energy: -70.124
flat angles P-C4'-P energy: -49.016
tors. eta vs tors. theta energy: -66.890
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: 3, replica: 1
=====================================
Write number: 62
Temperature: 1.000000
Total energy: -845.559640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -845.559640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -845.559640 (E_RNA)
where:
Base-Base interactions energy: -526.506
where: short stacking energy: -244.401
Base-Backbone interact. energy: 0.395
local terms energy: -319.449038
where:
bonds (distance) C4'-P energy: -60.642
bonds (distance) P-C4' energy: -77.466
flat angles C4'-P-C4' energy: -66.059
flat angles P-C4'-P energy: -43.739
tors. eta vs tors. theta energy: -71.542
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: 62
Temperature: 1.050000
Total energy: -707.574354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -707.574354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -707.574354 (E_RNA)
where:
Base-Base interactions energy: -397.253
where: short stacking energy: -185.083
Base-Backbone interact. energy: -1.254
local terms energy: -309.067324
where:
bonds (distance) C4'-P energy: -64.727
bonds (distance) P-C4' energy: -72.042
flat angles C4'-P-C4' energy: -72.562
flat angles P-C4'-P energy: -41.805
tors. eta vs tors. theta energy: -57.932
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: 2
=====================================
Write number: 62
Temperature: 1.100000
Total energy: -521.598136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.598136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.598136 (E_RNA)
where:
Base-Base interactions energy: -268.023
where: short stacking energy: -159.732
Base-Backbone interact. energy: -2.595
local terms energy: -250.980286
where:
bonds (distance) C4'-P energy: -66.383
bonds (distance) P-C4' energy: -65.504
flat angles C4'-P-C4' energy: -63.714
flat angles P-C4'-P energy: -30.862
tors. eta vs tors. theta energy: -24.517
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: 6
=====================================
Write number: 62
Temperature: 1.150000
Total energy: -410.356432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.356432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -410.356432 (E_RNA)
where:
Base-Base interactions energy: -187.296
where: short stacking energy: -133.819
Base-Backbone interact. energy: -0.582
local terms energy: -222.478029
where:
bonds (distance) C4'-P energy: -54.739
bonds (distance) P-C4' energy: -68.154
flat angles C4'-P-C4' energy: -56.735
flat angles P-C4'-P energy: -31.926
tors. eta vs tors. theta energy: -10.923
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 62
Temperature: 1.200000
Total energy: -343.731691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.731691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.731691 (E_RNA)
where:
Base-Base interactions energy: -123.709
where: short stacking energy: -88.889
Base-Backbone interact. energy: -1.842
local terms energy: -218.180558
where:
bonds (distance) C4'-P energy: -61.083
bonds (distance) P-C4' energy: -68.200
flat angles C4'-P-C4' energy: -46.194
flat angles P-C4'-P energy: -33.595
tors. eta vs tors. theta energy: -9.109
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 62
Temperature: 1.250000
Total energy: -328.515893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.515893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.515893 (E_RNA)
where:
Base-Base interactions energy: -132.952
where: short stacking energy: -110.509
Base-Backbone interact. energy: 1.371
local terms energy: -196.934652
where:
bonds (distance) C4'-P energy: -36.146
bonds (distance) P-C4' energy: -62.671
flat angles C4'-P-C4' energy: -58.399
flat angles P-C4'-P energy: -37.214
tors. eta vs tors. theta energy: -2.506
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 62
Temperature: 1.300000
Total energy: -290.393704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.393704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.393704 (E_RNA)
where:
Base-Base interactions energy: -91.393
where: short stacking energy: -73.904
Base-Backbone interact. energy: -1.466
local terms energy: -197.534679
where:
bonds (distance) C4'-P energy: -53.192
bonds (distance) P-C4' energy: -63.155
flat angles C4'-P-C4' energy: -52.672
flat angles P-C4'-P energy: -43.540
tors. eta vs tors. theta energy: 15.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 62
Temperature: 1.350000
Total energy: -260.705440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.705440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.705440 (E_RNA)
where:
Base-Base interactions energy: -77.057
where: short stacking energy: -58.779
Base-Backbone interact. energy: 0.525
local terms energy: -184.173137
where:
bonds (distance) C4'-P energy: -59.468
bonds (distance) P-C4' energy: -61.940
flat angles C4'-P-C4' energy: -47.793
flat angles P-C4'-P energy: -25.334
tors. eta vs tors. theta energy: 10.362
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 63
Temperature: 0.900000
Total energy: -1025.085263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1025.085263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1025.085263 (E_RNA)
where:
Base-Base interactions energy: -663.217
where: short stacking energy: -278.994
Base-Backbone interact. energy: -1.690
local terms energy: -360.178842
where:
bonds (distance) C4'-P energy: -77.360
bonds (distance) P-C4' energy: -69.886
flat angles C4'-P-C4' energy: -78.185
flat angles P-C4'-P energy: -50.432
tors. eta vs tors. theta energy: -84.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 63
Temperature: 0.950000
Total energy: -944.860993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -944.860993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -944.860993 (E_RNA)
where:
Base-Base interactions energy: -625.495
where: short stacking energy: -241.271
Base-Backbone interact. energy: -2.428
local terms energy: -316.938676
where:
bonds (distance) C4'-P energy: -50.816
bonds (distance) P-C4' energy: -69.198
flat angles C4'-P-C4' energy: -67.484
flat angles P-C4'-P energy: -52.289
tors. eta vs tors. theta energy: -77.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 63
Temperature: 1.000000
Total energy: -895.537928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -895.537928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -895.537928 (E_RNA)
where:
Base-Base interactions energy: -566.132
where: short stacking energy: -269.059
Base-Backbone interact. energy: 0.455
local terms energy: -329.860834
where:
bonds (distance) C4'-P energy: -67.870
bonds (distance) P-C4' energy: -68.719
flat angles C4'-P-C4' energy: -73.650
flat angles P-C4'-P energy: -43.599
tors. eta vs tors. theta energy: -76.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 63
Temperature: 1.050000
Total energy: -699.781909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -699.781909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -699.781909 (E_RNA)
where:
Base-Base interactions energy: -415.537
where: short stacking energy: -209.114
Base-Backbone interact. energy: -0.696
local terms energy: -283.548739
where:
bonds (distance) C4'-P energy: -67.611
bonds (distance) P-C4' energy: -63.721
flat angles C4'-P-C4' energy: -61.073
flat angles P-C4'-P energy: -45.651
tors. eta vs tors. theta energy: -45.493
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 63
Temperature: 1.100000
Total energy: -520.850845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.850845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.850845 (E_RNA)
where:
Base-Base interactions energy: -261.904
where: short stacking energy: -153.318
Base-Backbone interact. energy: 5.121
local terms energy: -264.067871
where:
bonds (distance) C4'-P energy: -60.678
bonds (distance) P-C4' energy: -79.909
flat angles C4'-P-C4' energy: -56.130
flat angles P-C4'-P energy: -45.445
tors. eta vs tors. theta energy: -21.906
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: 10
=====================================
Write number: 63
Temperature: 1.150000
Total energy: -378.854379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -378.854379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -378.854379 (E_RNA)
where:
Base-Base interactions energy: -174.017
where: short stacking energy: -95.317
Base-Backbone interact. energy: -0.436
local terms energy: -204.400604
where:
bonds (distance) C4'-P energy: -49.267
bonds (distance) P-C4' energy: -72.441
flat angles C4'-P-C4' energy: -55.664
flat angles P-C4'-P energy: -31.435
tors. eta vs tors. theta energy: 4.406
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: 6
=====================================
Write number: 63
Temperature: 1.200000
Total energy: -368.505862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.505862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.505862 (E_RNA)
where:
Base-Base interactions energy: -154.963
where: short stacking energy: -92.213
Base-Backbone interact. energy: -1.007
local terms energy: -212.536329
where:
bonds (distance) C4'-P energy: -56.048
bonds (distance) P-C4' energy: -61.357
flat angles C4'-P-C4' energy: -60.389
flat angles P-C4'-P energy: -33.861
tors. eta vs tors. theta energy: -0.881
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: 9
=====================================
Write number: 63
Temperature: 1.250000
Total energy: -324.016392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.016392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.016392 (E_RNA)
where:
Base-Base interactions energy: -124.703
where: short stacking energy: -84.001
Base-Backbone interact. energy: -0.807
local terms energy: -198.505986
where:
bonds (distance) C4'-P energy: -62.045
bonds (distance) P-C4' energy: -57.073
flat angles C4'-P-C4' energy: -56.066
flat angles P-C4'-P energy: -32.390
tors. eta vs tors. theta energy: 9.068
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 63
Temperature: 1.300000
Total energy: -301.915002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.915002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.915002 (E_RNA)
where:
Base-Base interactions energy: -97.795
where: short stacking energy: -63.886
Base-Backbone interact. energy: 0.539
local terms energy: -204.658442
where:
bonds (distance) C4'-P energy: -62.411
bonds (distance) P-C4' energy: -64.971
flat angles C4'-P-C4' energy: -55.753
flat angles P-C4'-P energy: -31.601
tors. eta vs tors. theta energy: 10.077
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: 7
=====================================
Write number: 63
Temperature: 1.350000
Total energy: -270.551701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.551701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.551701 (E_RNA)
where:
Base-Base interactions energy: -86.509
where: short stacking energy: -64.548
Base-Backbone interact. energy: 2.854
local terms energy: -186.896830
where:
bonds (distance) C4'-P energy: -62.249
bonds (distance) P-C4' energy: -49.783
flat angles C4'-P-C4' energy: -52.932
flat angles P-C4'-P energy: -42.646
tors. eta vs tors. theta energy: 20.712
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 64
Temperature: 0.900000
Total energy: -1033.774099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1033.774099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1033.774099 (E_RNA)
where:
Base-Base interactions energy: -667.179
where: short stacking energy: -308.535
Base-Backbone interact. energy: -0.877
local terms energy: -365.718523
where:
bonds (distance) C4'-P energy: -70.824
bonds (distance) P-C4' energy: -72.234
flat angles C4'-P-C4' energy: -79.079
flat angles P-C4'-P energy: -46.921
tors. eta vs tors. theta energy: -96.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 64
Temperature: 0.950000
Total energy: -953.117647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -953.117647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -953.117647 (E_RNA)
where:
Base-Base interactions energy: -638.713
where: short stacking energy: -267.482
Base-Backbone interact. energy: -3.196
local terms energy: -311.208111
where:
bonds (distance) C4'-P energy: -62.704
bonds (distance) P-C4' energy: -70.690
flat angles C4'-P-C4' energy: -59.833
flat angles P-C4'-P energy: -49.423
tors. eta vs tors. theta energy: -68.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 64
Temperature: 1.000000
Total energy: -880.564375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -880.564375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -880.564375 (E_RNA)
where:
Base-Base interactions energy: -544.749
where: short stacking energy: -255.634
Base-Backbone interact. energy: 0.751
local terms energy: -336.566945
where:
bonds (distance) C4'-P energy: -76.920
bonds (distance) P-C4' energy: -68.795
flat angles C4'-P-C4' energy: -68.844
flat angles P-C4'-P energy: -54.610
tors. eta vs tors. theta energy: -67.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 64
Temperature: 1.050000
Total energy: -691.780500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -691.780500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -691.780500 (E_RNA)
where:
Base-Base interactions energy: -393.931
where: short stacking energy: -204.724
Base-Backbone interact. energy: -2.758
local terms energy: -295.090903
where:
bonds (distance) C4'-P energy: -58.076
bonds (distance) P-C4' energy: -65.822
flat angles C4'-P-C4' energy: -66.310
flat angles P-C4'-P energy: -50.927
tors. eta vs tors. theta energy: -53.956
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: 2
=====================================
Write number: 64
Temperature: 1.100000
Total energy: -569.197917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -569.197917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -569.197917 (E_RNA)
where:
Base-Base interactions energy: -310.495
where: short stacking energy: -170.593
Base-Backbone interact. energy: -1.656
local terms energy: -257.047080
where:
bonds (distance) C4'-P energy: -62.836
bonds (distance) P-C4' energy: -68.782
flat angles C4'-P-C4' energy: -58.086
flat angles P-C4'-P energy: -32.028
tors. eta vs tors. theta energy: -35.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 64
Temperature: 1.150000
Total energy: -360.423389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.423389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.423389 (E_RNA)
where:
Base-Base interactions energy: -147.107
where: short stacking energy: -117.360
Base-Backbone interact. energy: 3.243
local terms energy: -216.559173
where:
bonds (distance) C4'-P energy: -53.161
bonds (distance) P-C4' energy: -65.002
flat angles C4'-P-C4' energy: -60.694
flat angles P-C4'-P energy: -28.544
tors. eta vs tors. theta energy: -9.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 64
Temperature: 1.200000
Total energy: -370.138889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.138889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.138889 (E_RNA)
where:
Base-Base interactions energy: -141.806
where: short stacking energy: -97.217
Base-Backbone interact. energy: 0.781
local terms energy: -229.114476
where:
bonds (distance) C4'-P energy: -65.702
bonds (distance) P-C4' energy: -66.169
flat angles C4'-P-C4' energy: -52.470
flat angles P-C4'-P energy: -43.941
tors. eta vs tors. theta energy: -0.833
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 64
Temperature: 1.250000
Total energy: -322.970821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.970821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.970821 (E_RNA)
where:
Base-Base interactions energy: -115.857
where: short stacking energy: -92.149
Base-Backbone interact. energy: -1.954
local terms energy: -205.160020
where:
bonds (distance) C4'-P energy: -74.243
bonds (distance) P-C4' energy: -53.839
flat angles C4'-P-C4' energy: -49.190
flat angles P-C4'-P energy: -34.991
tors. eta vs tors. theta energy: 7.102
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 64
Temperature: 1.300000
Total energy: -300.014048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.014048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.014048 (E_RNA)
where:
Base-Base interactions energy: -114.067
where: short stacking energy: -84.178
Base-Backbone interact. energy: -1.706
local terms energy: -184.241089
where:
bonds (distance) C4'-P energy: -55.909
bonds (distance) P-C4' energy: -40.660
flat angles C4'-P-C4' energy: -52.007
flat angles P-C4'-P energy: -32.591
tors. eta vs tors. theta energy: -3.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 64
Temperature: 1.350000
Total energy: -277.704938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.704938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.704938 (E_RNA)
where:
Base-Base interactions energy: -106.467
where: short stacking energy: -71.008
Base-Backbone interact. energy: -1.123
local terms energy: -170.115018
where:
bonds (distance) C4'-P energy: -68.059
bonds (distance) P-C4' energy: -46.883
flat angles C4'-P-C4' energy: -34.861
flat angles P-C4'-P energy: -29.220
tors. eta vs tors. theta energy: 8.907
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: 4
=====================================
Write number: 65
Temperature: 0.900000
Total energy: -1024.187499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1024.187499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1024.187499 (E_RNA)
where:
Base-Base interactions energy: -657.364
where: short stacking energy: -327.528
Base-Backbone interact. energy: -1.102
local terms energy: -365.721868
where:
bonds (distance) C4'-P energy: -71.808
bonds (distance) P-C4' energy: -59.146
flat angles C4'-P-C4' energy: -79.519
flat angles P-C4'-P energy: -54.588
tors. eta vs tors. theta energy: -100.661
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: 1
=====================================
Write number: 65
Temperature: 0.950000
Total energy: -907.081087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -907.081087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -907.081087 (E_RNA)
where:
Base-Base interactions energy: -566.571
where: short stacking energy: -277.235
Base-Backbone interact. energy: -0.975
local terms energy: -339.535669
where:
bonds (distance) C4'-P energy: -72.501
bonds (distance) P-C4' energy: -62.725
flat angles C4'-P-C4' energy: -71.385
flat angles P-C4'-P energy: -50.843
tors. eta vs tors. theta energy: -82.082
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 65
Temperature: 1.000000
Total energy: -904.450674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -904.450674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -904.450674 (E_RNA)
where:
Base-Base interactions energy: -599.940
where: short stacking energy: -254.846
Base-Backbone interact. energy: -2.544
local terms energy: -301.967157
where:
bonds (distance) C4'-P energy: -58.201
bonds (distance) P-C4' energy: -58.874
flat angles C4'-P-C4' energy: -74.393
flat angles P-C4'-P energy: -38.088
tors. eta vs tors. theta energy: -72.412
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: 5
=====================================
Write number: 65
Temperature: 1.050000
Total energy: -660.072811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -660.072811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -660.072811 (E_RNA)
where:
Base-Base interactions energy: -369.161
where: short stacking energy: -180.806
Base-Backbone interact. energy: -1.045
local terms energy: -289.867133
where:
bonds (distance) C4'-P energy: -66.893
bonds (distance) P-C4' energy: -65.189
flat angles C4'-P-C4' energy: -61.698
flat angles P-C4'-P energy: -47.821
tors. eta vs tors. theta energy: -48.266
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 65
Temperature: 1.100000
Total energy: -547.411068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.411068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.411068 (E_RNA)
where:
Base-Base interactions energy: -309.179
where: short stacking energy: -148.709
Base-Backbone interact. energy: 2.374
local terms energy: -240.605524
where:
bonds (distance) C4'-P energy: -59.455
bonds (distance) P-C4' energy: -71.275
flat angles C4'-P-C4' energy: -54.094
flat angles P-C4'-P energy: -35.666
tors. eta vs tors. theta energy: -20.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 65
Temperature: 1.150000
Total energy: -419.925037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.925037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.925037 (E_RNA)
where:
Base-Base interactions energy: -174.806
where: short stacking energy: -121.231
Base-Backbone interact. energy: -1.990
local terms energy: -243.129403
where:
bonds (distance) C4'-P energy: -57.902
bonds (distance) P-C4' energy: -59.377
flat angles C4'-P-C4' energy: -63.593
flat angles P-C4'-P energy: -40.603
tors. eta vs tors. theta energy: -21.655
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: 10
=====================================
Write number: 65
Temperature: 1.200000
Total energy: -353.319016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.319016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.319016 (E_RNA)
where:
Base-Base interactions energy: -144.108
where: short stacking energy: -102.856
Base-Backbone interact. energy: 0.998
local terms energy: -210.208323
where:
bonds (distance) C4'-P energy: -59.748
bonds (distance) P-C4' energy: -60.939
flat angles C4'-P-C4' energy: -48.274
flat angles P-C4'-P energy: -32.822
tors. eta vs tors. theta energy: -8.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 65
Temperature: 1.250000
Total energy: -342.751056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.751056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.751056 (E_RNA)
where:
Base-Base interactions energy: -137.737
where: short stacking energy: -101.717
Base-Backbone interact. energy: 1.621
local terms energy: -206.635223
where:
bonds (distance) C4'-P energy: -53.505
bonds (distance) P-C4' energy: -77.184
flat angles C4'-P-C4' energy: -43.915
flat angles P-C4'-P energy: -35.419
tors. eta vs tors. theta energy: 3.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 65
Temperature: 1.300000
Total energy: -287.772765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.772765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.772765 (E_RNA)
where:
Base-Base interactions energy: -99.858
where: short stacking energy: -73.815
Base-Backbone interact. energy: -1.399
local terms energy: -186.515510
where:
bonds (distance) C4'-P energy: -55.797
bonds (distance) P-C4' energy: -60.357
flat angles C4'-P-C4' energy: -51.059
flat angles P-C4'-P energy: -29.554
tors. eta vs tors. theta energy: 10.251
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: 10, replica: 7
=====================================
Write number: 65
Temperature: 1.350000
Total energy: -274.068846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.068846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.068846 (E_RNA)
where:
Base-Base interactions energy: -99.677
where: short stacking energy: -51.880
Base-Backbone interact. energy: -1.793
local terms energy: -172.598622
where:
bonds (distance) C4'-P energy: -51.194
bonds (distance) P-C4' energy: -61.547
flat angles C4'-P-C4' energy: -45.661
flat angles P-C4'-P energy: -33.313
tors. eta vs tors. theta energy: 19.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 66
Temperature: 0.900000
Total energy: -1025.460087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1025.460087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1025.460087 (E_RNA)
where:
Base-Base interactions energy: -657.163
where: short stacking energy: -312.233
Base-Backbone interact. energy: -1.033
local terms energy: -367.264466
where:
bonds (distance) C4'-P energy: -64.777
bonds (distance) P-C4' energy: -73.626
flat angles C4'-P-C4' energy: -69.713
flat angles P-C4'-P energy: -53.068
tors. eta vs tors. theta energy: -106.080
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: 1
=====================================
Write number: 66
Temperature: 0.950000
Total energy: -901.269378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -901.269378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -901.269378 (E_RNA)
where:
Base-Base interactions energy: -584.581
where: short stacking energy: -297.311
Base-Backbone interact. energy: 0.193
local terms energy: -316.881705
where:
bonds (distance) C4'-P energy: -59.998
bonds (distance) P-C4' energy: -55.217
flat angles C4'-P-C4' energy: -75.555
flat angles P-C4'-P energy: -42.523
tors. eta vs tors. theta energy: -83.588
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: 66
Temperature: 1.000000
Total energy: -864.265479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -864.265479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -864.265479 (E_RNA)
where:
Base-Base interactions energy: -567.837
where: short stacking energy: -255.216
Base-Backbone interact. energy: -1.217
local terms energy: -295.211766
where:
bonds (distance) C4'-P energy: -56.927
bonds (distance) P-C4' energy: -63.433
flat angles C4'-P-C4' energy: -65.984
flat angles P-C4'-P energy: -37.401
tors. eta vs tors. theta energy: -71.467
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: 5
=====================================
Write number: 66
Temperature: 1.050000
Total energy: -675.233515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -675.233515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -675.233515 (E_RNA)
where:
Base-Base interactions energy: -378.397
where: short stacking energy: -191.377
Base-Backbone interact. energy: -1.827
local terms energy: -295.010032
where:
bonds (distance) C4'-P energy: -61.377
bonds (distance) P-C4' energy: -77.888
flat angles C4'-P-C4' energy: -58.950
flat angles P-C4'-P energy: -45.801
tors. eta vs tors. theta energy: -50.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 66
Temperature: 1.100000
Total energy: -552.625005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.625005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.625005 (E_RNA)
where:
Base-Base interactions energy: -295.834
where: short stacking energy: -139.365
Base-Backbone interact. energy: -1.355
local terms energy: -255.436191
where:
bonds (distance) C4'-P energy: -54.817
bonds (distance) P-C4' energy: -68.502
flat angles C4'-P-C4' energy: -65.402
flat angles P-C4'-P energy: -45.942
tors. eta vs tors. theta energy: -20.774
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 66
Temperature: 1.150000
Total energy: -417.149928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.149928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.149928 (E_RNA)
where:
Base-Base interactions energy: -186.307
where: short stacking energy: -132.727
Base-Backbone interact. energy: 0.910
local terms energy: -231.752670
where:
bonds (distance) C4'-P energy: -66.140
bonds (distance) P-C4' energy: -67.440
flat angles C4'-P-C4' energy: -59.219
flat angles P-C4'-P energy: -27.048
tors. eta vs tors. theta energy: -11.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 66
Temperature: 1.200000
Total energy: -364.359149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.359149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.359149 (E_RNA)
where:
Base-Base interactions energy: -147.041
where: short stacking energy: -107.245
Base-Backbone interact. energy: -1.971
local terms energy: -215.347257
where:
bonds (distance) C4'-P energy: -57.757
bonds (distance) P-C4' energy: -57.576
flat angles C4'-P-C4' energy: -56.502
flat angles P-C4'-P energy: -40.186
tors. eta vs tors. theta energy: -3.326
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: 8, replica: 9
=====================================
Write number: 66
Temperature: 1.250000
Total energy: -309.493536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.493536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.493536 (E_RNA)
where:
Base-Base interactions energy: -107.871
where: short stacking energy: -91.895
Base-Backbone interact. energy: -1.526
local terms energy: -200.096419
where:
bonds (distance) C4'-P energy: -64.550
bonds (distance) P-C4' energy: -58.101
flat angles C4'-P-C4' energy: -54.870
flat angles P-C4'-P energy: -24.931
tors. eta vs tors. theta energy: 2.356
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 66
Temperature: 1.300000
Total energy: -296.681501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.681501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.681501 (E_RNA)
where:
Base-Base interactions energy: -112.307
where: short stacking energy: -82.857
Base-Backbone interact. energy: 2.224
local terms energy: -186.598210
where:
bonds (distance) C4'-P energy: -52.609
bonds (distance) P-C4' energy: -66.524
flat angles C4'-P-C4' energy: -41.847
flat angles P-C4'-P energy: -30.874
tors. eta vs tors. theta energy: 5.256
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: 66
Temperature: 1.350000
Total energy: -295.235825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.235825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.235825 (E_RNA)
where:
Base-Base interactions energy: -102.806
where: short stacking energy: -70.809
Base-Backbone interact. energy: 1.831
local terms energy: -194.260195
where:
bonds (distance) C4'-P energy: -54.702
bonds (distance) P-C4' energy: -65.367
flat angles C4'-P-C4' energy: -47.692
flat angles P-C4'-P energy: -42.135
tors. eta vs tors. theta energy: 15.636
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 67
Temperature: 0.900000
Total energy: -1031.579843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1031.579843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1031.579843 (E_RNA)
where:
Base-Base interactions energy: -665.875
where: short stacking energy: -306.234
Base-Backbone interact. energy: 0.320
local terms energy: -366.024502
where:
bonds (distance) C4'-P energy: -60.586
bonds (distance) P-C4' energy: -74.539
flat angles C4'-P-C4' energy: -77.541
flat angles P-C4'-P energy: -55.950
tors. eta vs tors. theta energy: -97.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 67
Temperature: 0.950000
Total energy: -900.371102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -900.371102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -900.371102 (E_RNA)
where:
Base-Base interactions energy: -579.212
where: short stacking energy: -260.812
Base-Backbone interact. energy: -1.911
local terms energy: -319.248102
where:
bonds (distance) C4'-P energy: -63.280
bonds (distance) P-C4' energy: -72.891
flat angles C4'-P-C4' energy: -77.232
flat angles P-C4'-P energy: -41.193
tors. eta vs tors. theta energy: -64.652
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: 67
Temperature: 1.000000
Total energy: -872.060045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -872.060045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -872.060045 (E_RNA)
where:
Base-Base interactions energy: -538.756
where: short stacking energy: -266.315
Base-Backbone interact. energy: -0.251
local terms energy: -333.052613
where:
bonds (distance) C4'-P energy: -69.245
bonds (distance) P-C4' energy: -68.843
flat angles C4'-P-C4' energy: -68.065
flat angles P-C4'-P energy: -43.787
tors. eta vs tors. theta energy: -83.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 67
Temperature: 1.050000
Total energy: -718.502733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -718.502733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -718.502733 (E_RNA)
where:
Base-Base interactions energy: -415.049
where: short stacking energy: -212.531
Base-Backbone interact. energy: -0.036
local terms energy: -303.417802
where:
bonds (distance) C4'-P energy: -70.942
bonds (distance) P-C4' energy: -62.652
flat angles C4'-P-C4' energy: -74.733
flat angles P-C4'-P energy: -35.202
tors. eta vs tors. theta energy: -59.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 67
Temperature: 1.100000
Total energy: -530.523796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.523796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.523796 (E_RNA)
where:
Base-Base interactions energy: -297.735
where: short stacking energy: -153.298
Base-Backbone interact. energy: -2.107
local terms energy: -230.681613
where:
bonds (distance) C4'-P energy: -54.534
bonds (distance) P-C4' energy: -64.279
flat angles C4'-P-C4' energy: -59.183
flat angles P-C4'-P energy: -22.996
tors. eta vs tors. theta energy: -29.689
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: 6
=====================================
Write number: 67
Temperature: 1.150000
Total energy: -375.303681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -375.303681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -375.303681 (E_RNA)
where:
Base-Base interactions energy: -133.422
where: short stacking energy: -116.805
Base-Backbone interact. energy: 1.629
local terms energy: -243.510976
where:
bonds (distance) C4'-P energy: -60.548
bonds (distance) P-C4' energy: -68.917
flat angles C4'-P-C4' energy: -49.885
flat angles P-C4'-P energy: -46.987
tors. eta vs tors. theta energy: -17.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 67
Temperature: 1.200000
Total energy: -335.601266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.601266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.601266 (E_RNA)
where:
Base-Base interactions energy: -139.530
where: short stacking energy: -117.043
Base-Backbone interact. energy: 0.115
local terms energy: -196.185807
where:
bonds (distance) C4'-P energy: -63.538
bonds (distance) P-C4' energy: -53.844
flat angles C4'-P-C4' energy: -55.558
flat angles P-C4'-P energy: -24.985
tors. eta vs tors. theta energy: 1.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 67
Temperature: 1.250000
Total energy: -306.265642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.265642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.265642 (E_RNA)
where:
Base-Base interactions energy: -121.746
where: short stacking energy: -96.105
Base-Backbone interact. energy: -0.564
local terms energy: -183.955648
where:
bonds (distance) C4'-P energy: -42.569
bonds (distance) P-C4' energy: -68.390
flat angles C4'-P-C4' energy: -48.584
flat angles P-C4'-P energy: -30.011
tors. eta vs tors. theta energy: 5.598
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: 67
Temperature: 1.300000
Total energy: -282.093404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.093404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.093404 (E_RNA)
where:
Base-Base interactions energy: -101.113
where: short stacking energy: -76.538
Base-Backbone interact. energy: 5.611
local terms energy: -186.591047
where:
bonds (distance) C4'-P energy: -49.147
bonds (distance) P-C4' energy: -66.518
flat angles C4'-P-C4' energy: -36.971
flat angles P-C4'-P energy: -32.615
tors. eta vs tors. theta energy: -1.340
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: 8
=====================================
Write number: 67
Temperature: 1.350000
Total energy: -269.553362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.553362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.553362 (E_RNA)
where:
Base-Base interactions energy: -92.127
where: short stacking energy: -60.595
Base-Backbone interact. energy: -0.737
local terms energy: -176.689315
where:
bonds (distance) C4'-P energy: -53.335
bonds (distance) P-C4' energy: -58.246
flat angles C4'-P-C4' energy: -45.113
flat angles P-C4'-P energy: -30.513
tors. eta vs tors. theta energy: 10.517
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 68
Temperature: 0.900000
Total energy: -1060.733552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1060.733552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1060.733552 (E_RNA)
where:
Base-Base interactions energy: -707.810
where: short stacking energy: -328.954
Base-Backbone interact. energy: 1.090
local terms energy: -354.012851
where:
bonds (distance) C4'-P energy: -55.375
bonds (distance) P-C4' energy: -72.436
flat angles C4'-P-C4' energy: -76.422
flat angles P-C4'-P energy: -48.283
tors. eta vs tors. theta energy: -101.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 68
Temperature: 0.950000
Total energy: -918.437486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -918.437486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -918.437486 (E_RNA)
where:
Base-Base interactions energy: -569.851
where: short stacking energy: -247.335
Base-Backbone interact. energy: -0.967
local terms energy: -347.618920
where:
bonds (distance) C4'-P energy: -73.037
bonds (distance) P-C4' energy: -78.664
flat angles C4'-P-C4' energy: -73.452
flat angles P-C4'-P energy: -49.003
tors. eta vs tors. theta energy: -73.462
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 68
Temperature: 1.000000
Total energy: -904.781707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -904.781707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -904.781707 (E_RNA)
where:
Base-Base interactions energy: -570.202
where: short stacking energy: -286.517
Base-Backbone interact. energy: -0.068
local terms energy: -334.511607
where:
bonds (distance) C4'-P energy: -67.663
bonds (distance) P-C4' energy: -77.186
flat angles C4'-P-C4' energy: -64.242
flat angles P-C4'-P energy: -39.858
tors. eta vs tors. theta energy: -85.563
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: 68
Temperature: 1.050000
Total energy: -713.474685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -713.474685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -713.474685 (E_RNA)
where:
Base-Base interactions energy: -428.750
where: short stacking energy: -227.626
Base-Backbone interact. energy: 0.307
local terms energy: -285.031281
where:
bonds (distance) C4'-P energy: -47.422
bonds (distance) P-C4' energy: -70.288
flat angles C4'-P-C4' energy: -68.493
flat angles P-C4'-P energy: -36.946
tors. eta vs tors. theta energy: -61.882
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 68
Temperature: 1.100000
Total energy: -528.195788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.195788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.195788 (E_RNA)
where:
Base-Base interactions energy: -272.271
where: short stacking energy: -176.139
Base-Backbone interact. energy: -2.736
local terms energy: -253.188706
where:
bonds (distance) C4'-P energy: -69.525
bonds (distance) P-C4' energy: -65.744
flat angles C4'-P-C4' energy: -53.161
flat angles P-C4'-P energy: -36.354
tors. eta vs tors. theta energy: -28.404
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 68
Temperature: 1.150000
Total energy: -377.766916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -377.766916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -377.766916 (E_RNA)
where:
Base-Base interactions energy: -135.185
where: short stacking energy: -101.900
Base-Backbone interact. energy: -0.054
local terms energy: -242.528655
where:
bonds (distance) C4'-P energy: -63.224
bonds (distance) P-C4' energy: -66.898
flat angles C4'-P-C4' energy: -51.789
flat angles P-C4'-P energy: -42.551
tors. eta vs tors. theta energy: -18.066
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: 9
=====================================
Write number: 68
Temperature: 1.200000
Total energy: -333.919595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.919595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.919595 (E_RNA)
where:
Base-Base interactions energy: -127.420
where: short stacking energy: -92.455
Base-Backbone interact. energy: -0.267
local terms energy: -206.232872
where:
bonds (distance) C4'-P energy: -57.522
bonds (distance) P-C4' energy: -68.535
flat angles C4'-P-C4' energy: -56.443
flat angles P-C4'-P energy: -27.485
tors. eta vs tors. theta energy: 3.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 68
Temperature: 1.250000
Total energy: -324.559245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.559245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.559245 (E_RNA)
where:
Base-Base interactions energy: -125.277
where: short stacking energy: -98.817
Base-Backbone interact. energy: 0.607
local terms energy: -199.889531
where:
bonds (distance) C4'-P energy: -62.582
bonds (distance) P-C4' energy: -52.481
flat angles C4'-P-C4' energy: -42.140
flat angles P-C4'-P energy: -29.190
tors. eta vs tors. theta energy: -13.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 68
Temperature: 1.300000
Total energy: -292.973630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.973630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.973630 (E_RNA)
where:
Base-Base interactions energy: -69.598
where: short stacking energy: -52.843
Base-Backbone interact. energy: -3.177
local terms energy: -220.198628
where:
bonds (distance) C4'-P energy: -57.061
bonds (distance) P-C4' energy: -72.833
flat angles C4'-P-C4' energy: -63.632
flat angles P-C4'-P energy: -44.256
tors. eta vs tors. theta energy: 17.582
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 68
Temperature: 1.350000
Total energy: -275.680166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.680166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.680166 (E_RNA)
where:
Base-Base interactions energy: -90.046
where: short stacking energy: -72.089
Base-Backbone interact. energy: 2.636
local terms energy: -188.270849
where:
bonds (distance) C4'-P energy: -59.795
bonds (distance) P-C4' energy: -58.443
flat angles C4'-P-C4' energy: -49.241
flat angles P-C4'-P energy: -30.652
tors. eta vs tors. theta energy: 9.859
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: 1, replica: 4
=====================================
Write number: 69
Temperature: 0.900000
Total energy: -1056.547742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1056.547742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1056.547742 (E_RNA)
where:
Base-Base interactions energy: -684.544
where: short stacking energy: -319.470
Base-Backbone interact. energy: 0.191
local terms energy: -372.194436
where:
bonds (distance) C4'-P energy: -70.287
bonds (distance) P-C4' energy: -66.953
flat angles C4'-P-C4' energy: -79.611
flat angles P-C4'-P energy: -53.303
tors. eta vs tors. theta energy: -102.041
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: 3
=====================================
Write number: 69
Temperature: 0.950000
Total energy: -920.581214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -920.581214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -920.581214 (E_RNA)
where:
Base-Base interactions energy: -593.837
where: short stacking energy: -274.032
Base-Backbone interact. energy: -1.157
local terms energy: -325.587325
where:
bonds (distance) C4'-P energy: -63.369
bonds (distance) P-C4' energy: -73.771
flat angles C4'-P-C4' energy: -70.323
flat angles P-C4'-P energy: -44.787
tors. eta vs tors. theta energy: -73.337
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: 3, replica: 1
=====================================
Write number: 69
Temperature: 1.000000
Total energy: -862.338128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -862.338128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -862.338128 (E_RNA)
where:
Base-Base interactions energy: -514.676
where: short stacking energy: -267.905
Base-Backbone interact. energy: -0.011
local terms energy: -347.650677
where:
bonds (distance) C4'-P energy: -71.285
bonds (distance) P-C4' energy: -75.651
flat angles C4'-P-C4' energy: -70.606
flat angles P-C4'-P energy: -45.925
tors. eta vs tors. theta energy: -84.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 69
Temperature: 1.050000
Total energy: -765.133294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -765.133294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -765.133294 (E_RNA)
where:
Base-Base interactions energy: -462.325
where: short stacking energy: -204.895
Base-Backbone interact. energy: 1.430
local terms energy: -304.237884
where:
bonds (distance) C4'-P energy: -72.513
bonds (distance) P-C4' energy: -62.611
flat angles C4'-P-C4' energy: -66.811
flat angles P-C4'-P energy: -43.340
tors. eta vs tors. theta energy: -58.964
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 69
Temperature: 1.100000
Total energy: -543.722619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.722619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.722619 (E_RNA)
where:
Base-Base interactions energy: -295.284
where: short stacking energy: -155.558
Base-Backbone interact. energy: -1.054
local terms energy: -247.384646
where:
bonds (distance) C4'-P energy: -54.070
bonds (distance) P-C4' energy: -70.277
flat angles C4'-P-C4' energy: -53.240
flat angles P-C4'-P energy: -48.022
tors. eta vs tors. theta energy: -21.775
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: 9
=====================================
Write number: 69
Temperature: 1.150000
Total energy: -435.035614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -435.035614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -435.035614 (E_RNA)
where:
Base-Base interactions energy: -197.230
where: short stacking energy: -106.852
Base-Backbone interact. energy: -0.287
local terms energy: -237.518223
where:
bonds (distance) C4'-P energy: -71.764
bonds (distance) P-C4' energy: -69.754
flat angles C4'-P-C4' energy: -56.368
flat angles P-C4'-P energy: -38.606
tors. eta vs tors. theta energy: -1.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 69
Temperature: 1.200000
Total energy: -349.081397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.081397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.081397 (E_RNA)
where:
Base-Base interactions energy: -155.707
where: short stacking energy: -115.624
Base-Backbone interact. energy: -0.918
local terms energy: -192.456431
where:
bonds (distance) C4'-P energy: -48.183
bonds (distance) P-C4' energy: -50.278
flat angles C4'-P-C4' energy: -59.820
flat angles P-C4'-P energy: -29.466
tors. eta vs tors. theta energy: -4.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 69
Temperature: 1.250000
Total energy: -352.335201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.335201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.335201 (E_RNA)
where:
Base-Base interactions energy: -140.925
where: short stacking energy: -96.424
Base-Backbone interact. energy: -0.657
local terms energy: -210.753321
where:
bonds (distance) C4'-P energy: -52.935
bonds (distance) P-C4' energy: -67.833
flat angles C4'-P-C4' energy: -53.324
flat angles P-C4'-P energy: -33.282
tors. eta vs tors. theta energy: -3.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 69
Temperature: 1.300000
Total energy: -291.899627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.899627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.899627 (E_RNA)
where:
Base-Base interactions energy: -93.107
where: short stacking energy: -61.327
Base-Backbone interact. energy: 0.683
local terms energy: -199.475261
where:
bonds (distance) C4'-P energy: -57.852
bonds (distance) P-C4' energy: -63.413
flat angles C4'-P-C4' energy: -52.099
flat angles P-C4'-P energy: -38.280
tors. eta vs tors. theta energy: 12.170
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: 8
=====================================
Write number: 69
Temperature: 1.350000
Total energy: -264.303963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.303963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.303963 (E_RNA)
where:
Base-Base interactions energy: -68.932
where: short stacking energy: -61.870
Base-Backbone interact. energy: -1.578
local terms energy: -193.794070
where:
bonds (distance) C4'-P energy: -61.904
bonds (distance) P-C4' energy: -56.260
flat angles C4'-P-C4' energy: -40.857
flat angles P-C4'-P energy: -45.134
tors. eta vs tors. theta energy: 10.361
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 70
Temperature: 0.900000
Total energy: -1016.415273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1016.415273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1016.415273 (E_RNA)
where:
Base-Base interactions energy: -651.478
where: short stacking energy: -322.276
Base-Backbone interact. energy: -0.586
local terms energy: -364.351656
where:
bonds (distance) C4'-P energy: -70.471
bonds (distance) P-C4' energy: -65.329
flat angles C4'-P-C4' energy: -76.516
flat angles P-C4'-P energy: -46.852
tors. eta vs tors. theta energy: -105.183
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 70
Temperature: 0.950000
Total energy: -934.212646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -934.212646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -934.212646 (E_RNA)
where:
Base-Base interactions energy: -606.111
where: short stacking energy: -250.375
Base-Backbone interact. energy: -2.060
local terms energy: -326.041297
where:
bonds (distance) C4'-P energy: -70.185
bonds (distance) P-C4' energy: -68.331
flat angles C4'-P-C4' energy: -72.211
flat angles P-C4'-P energy: -49.960
tors. eta vs tors. theta energy: -65.355
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: 1
=====================================
Write number: 70
Temperature: 1.000000
Total energy: -907.050734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -907.050734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -907.050734 (E_RNA)
where:
Base-Base interactions energy: -559.121
where: short stacking energy: -286.642
Base-Backbone interact. energy: -0.735
local terms energy: -347.194971
where:
bonds (distance) C4'-P energy: -63.993
bonds (distance) P-C4' energy: -71.718
flat angles C4'-P-C4' energy: -70.094
flat angles P-C4'-P energy: -50.169
tors. eta vs tors. theta energy: -91.222
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 70
Temperature: 1.050000
Total energy: -730.303185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -730.303185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -730.303185 (E_RNA)
where:
Base-Base interactions energy: -409.658
where: short stacking energy: -201.640
Base-Backbone interact. energy: -2.242
local terms energy: -318.403039
where:
bonds (distance) C4'-P energy: -65.869
bonds (distance) P-C4' energy: -74.075
flat angles C4'-P-C4' energy: -74.055
flat angles P-C4'-P energy: -49.813
tors. eta vs tors. theta energy: -54.591
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 70
Temperature: 1.100000
Total energy: -513.451119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.451119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.451119 (E_RNA)
where:
Base-Base interactions energy: -247.263
where: short stacking energy: -140.822
Base-Backbone interact. energy: 0.084
local terms energy: -266.271548
where:
bonds (distance) C4'-P energy: -64.083
bonds (distance) P-C4' energy: -73.135
flat angles C4'-P-C4' energy: -70.105
flat angles P-C4'-P energy: -41.736
tors. eta vs tors. theta energy: -17.212
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: 70
Temperature: 1.150000
Total energy: -380.244555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -380.244555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -380.244555 (E_RNA)
where:
Base-Base interactions energy: -155.356
where: short stacking energy: -113.962
Base-Backbone interact. energy: 0.131
local terms energy: -225.019314
where:
bonds (distance) C4'-P energy: -56.319
bonds (distance) P-C4' energy: -76.928
flat angles C4'-P-C4' energy: -60.457
flat angles P-C4'-P energy: -23.718
tors. eta vs tors. theta energy: -7.598
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 70
Temperature: 1.200000
Total energy: -388.989144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -388.989144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -388.989144 (E_RNA)
where:
Base-Base interactions energy: -157.100
where: short stacking energy: -122.955
Base-Backbone interact. energy: 1.824
local terms energy: -233.713269
where:
bonds (distance) C4'-P energy: -71.425
bonds (distance) P-C4' energy: -64.717
flat angles C4'-P-C4' energy: -54.322
flat angles P-C4'-P energy: -28.982
tors. eta vs tors. theta energy: -14.267
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 70
Temperature: 1.250000
Total energy: -330.663786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.663786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.663786 (E_RNA)
where:
Base-Base interactions energy: -113.902
where: short stacking energy: -103.586
Base-Backbone interact. energy: 1.587
local terms energy: -218.348611
where:
bonds (distance) C4'-P energy: -59.849
bonds (distance) P-C4' energy: -53.458
flat angles C4'-P-C4' energy: -62.790
flat angles P-C4'-P energy: -41.510
tors. eta vs tors. theta energy: -0.742
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: 8
=====================================
Write number: 70
Temperature: 1.300000
Total energy: -265.878164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.878164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.878164 (E_RNA)
where:
Base-Base interactions energy: -77.619
where: short stacking energy: -51.390
Base-Backbone interact. energy: -1.490
local terms energy: -186.768374
where:
bonds (distance) C4'-P energy: -49.670
bonds (distance) P-C4' energy: -73.831
flat angles C4'-P-C4' energy: -50.739
flat angles P-C4'-P energy: -25.127
tors. eta vs tors. theta energy: 12.599
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: 10, replica: 7
=====================================
Write number: 70
Temperature: 1.350000
Total energy: -262.170902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.170902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.170902 (E_RNA)
where:
Base-Base interactions energy: -89.021
where: short stacking energy: -68.429
Base-Backbone interact. energy: -1.066
local terms energy: -172.083183
where:
bonds (distance) C4'-P energy: -46.244
bonds (distance) P-C4' energy: -62.797
flat angles C4'-P-C4' energy: -49.447
flat angles P-C4'-P energy: -32.595
tors. eta vs tors. theta energy: 19.000
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: 4
=====================================
Write number: 71
Temperature: 0.900000
Total energy: -1013.308204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1013.308204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1013.308204 (E_RNA)
where:
Base-Base interactions energy: -643.601
where: short stacking energy: -288.839
Base-Backbone interact. energy: -1.734
local terms energy: -367.973433
where:
bonds (distance) C4'-P energy: -72.861
bonds (distance) P-C4' energy: -60.191
flat angles C4'-P-C4' energy: -72.800
flat angles P-C4'-P energy: -63.210
tors. eta vs tors. theta energy: -98.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 71
Temperature: 0.950000
Total energy: -971.621238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -971.621238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -971.621238 (E_RNA)
where:
Base-Base interactions energy: -636.559
where: short stacking energy: -276.933
Base-Backbone interact. energy: -1.510
local terms energy: -333.552549
where:
bonds (distance) C4'-P energy: -69.378
bonds (distance) P-C4' energy: -61.422
flat angles C4'-P-C4' energy: -80.963
flat angles P-C4'-P energy: -48.606
tors. eta vs tors. theta energy: -73.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 71
Temperature: 1.000000
Total energy: -899.103068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -899.103068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -899.103068 (E_RNA)
where:
Base-Base interactions energy: -567.942
where: short stacking energy: -278.287
Base-Backbone interact. energy: -0.958
local terms energy: -330.203899
where:
bonds (distance) C4'-P energy: -58.448
bonds (distance) P-C4' energy: -72.034
flat angles C4'-P-C4' energy: -75.203
flat angles P-C4'-P energy: -43.225
tors. eta vs tors. theta energy: -81.294
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 71
Temperature: 1.050000
Total energy: -711.184434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -711.184434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -711.184434 (E_RNA)
where:
Base-Base interactions energy: -413.459
where: short stacking energy: -215.303
Base-Backbone interact. energy: -2.320
local terms energy: -295.405171
where:
bonds (distance) C4'-P energy: -57.491
bonds (distance) P-C4' energy: -65.155
flat angles C4'-P-C4' energy: -64.753
flat angles P-C4'-P energy: -50.186
tors. eta vs tors. theta energy: -57.820
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 71
Temperature: 1.100000
Total energy: -507.636986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.636986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.636986 (E_RNA)
where:
Base-Base interactions energy: -255.052
where: short stacking energy: -152.923
Base-Backbone interact. energy: 0.134
local terms energy: -252.719164
where:
bonds (distance) C4'-P energy: -65.631
bonds (distance) P-C4' energy: -70.954
flat angles C4'-P-C4' energy: -64.611
flat angles P-C4'-P energy: -32.280
tors. eta vs tors. theta energy: -19.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 71
Temperature: 1.150000
Total energy: -377.095573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -377.095573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -377.095573 (E_RNA)
where:
Base-Base interactions energy: -151.460
where: short stacking energy: -104.413
Base-Backbone interact. energy: -1.207
local terms energy: -224.428496
where:
bonds (distance) C4'-P energy: -47.791
bonds (distance) P-C4' energy: -65.469
flat angles C4'-P-C4' energy: -53.873
flat angles P-C4'-P energy: -49.605
tors. eta vs tors. theta energy: -7.690
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 71
Temperature: 1.200000
Total energy: -321.665604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.665604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.665604 (E_RNA)
where:
Base-Base interactions energy: -99.803
where: short stacking energy: -91.775
Base-Backbone interact. energy: -1.269
local terms energy: -220.593760
where:
bonds (distance) C4'-P energy: -75.272
bonds (distance) P-C4' energy: -57.366
flat angles C4'-P-C4' energy: -49.561
flat angles P-C4'-P energy: -30.313
tors. eta vs tors. theta energy: -8.082
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: 10
=====================================
Write number: 71
Temperature: 1.250000
Total energy: -330.585008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.585008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.585008 (E_RNA)
where:
Base-Base interactions energy: -117.366
where: short stacking energy: -97.818
Base-Backbone interact. energy: 0.902
local terms energy: -214.121795
where:
bonds (distance) C4'-P energy: -70.469
bonds (distance) P-C4' energy: -66.432
flat angles C4'-P-C4' energy: -46.926
flat angles P-C4'-P energy: -28.226
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: 9, replica: 8
=====================================
Write number: 71
Temperature: 1.300000
Total energy: -285.443142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.443142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.443142 (E_RNA)
where:
Base-Base interactions energy: -97.166
where: short stacking energy: -78.768
Base-Backbone interact. energy: -1.782
local terms energy: -186.494936
where:
bonds (distance) C4'-P energy: -56.239
bonds (distance) P-C4' energy: -70.186
flat angles C4'-P-C4' energy: -38.999
flat angles P-C4'-P energy: -36.947
tors. eta vs tors. theta energy: 15.875
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: 71
Temperature: 1.350000
Total energy: -285.274462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.274462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.274462 (E_RNA)
where:
Base-Base interactions energy: -99.904
where: short stacking energy: -59.373
Base-Backbone interact. energy: -0.415
local terms energy: -184.955313
where:
bonds (distance) C4'-P energy: -61.908
bonds (distance) P-C4' energy: -66.508
flat angles C4'-P-C4' energy: -48.720
flat angles P-C4'-P energy: -21.949
tors. eta vs tors. theta energy: 14.129
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 72
Temperature: 0.900000
Total energy: -1029.113510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1029.113510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1029.113510 (E_RNA)
where:
Base-Base interactions energy: -649.554
where: short stacking energy: -304.004
Base-Backbone interact. energy: -1.090
local terms energy: -378.469826
where:
bonds (distance) C4'-P energy: -74.696
bonds (distance) P-C4' energy: -72.249
flat angles C4'-P-C4' energy: -72.801
flat angles P-C4'-P energy: -47.873
tors. eta vs tors. theta energy: -110.851
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: 72
Temperature: 0.950000
Total energy: -944.632619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -944.632619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -944.632619 (E_RNA)
where:
Base-Base interactions energy: -602.684
where: short stacking energy: -274.563
Base-Backbone interact. energy: -2.213
local terms energy: -339.735557
where:
bonds (distance) C4'-P energy: -67.044
bonds (distance) P-C4' energy: -67.132
flat angles C4'-P-C4' energy: -75.736
flat angles P-C4'-P energy: -51.053
tors. eta vs tors. theta energy: -78.770
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 72
Temperature: 1.000000
Total energy: -920.269597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -920.269597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -920.269597 (E_RNA)
where:
Base-Base interactions energy: -576.988
where: short stacking energy: -296.063
Base-Backbone interact. energy: -2.281
local terms energy: -341.000697
where:
bonds (distance) C4'-P energy: -70.406
bonds (distance) P-C4' energy: -64.532
flat angles C4'-P-C4' energy: -72.001
flat angles P-C4'-P energy: -47.737
tors. eta vs tors. theta energy: -86.324
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: 72
Temperature: 1.050000
Total energy: -771.124011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -771.124011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -771.124011 (E_RNA)
where:
Base-Base interactions energy: -470.422
where: short stacking energy: -245.051
Base-Backbone interact. energy: -0.710
local terms energy: -299.992238
where:
bonds (distance) C4'-P energy: -68.269
bonds (distance) P-C4' energy: -58.727
flat angles C4'-P-C4' energy: -70.437
flat angles P-C4'-P energy: -43.091
tors. eta vs tors. theta energy: -59.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 72
Temperature: 1.100000
Total energy: -510.419996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.419996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.419996 (E_RNA)
where:
Base-Base interactions energy: -271.667
where: short stacking energy: -156.069
Base-Backbone interact. energy: -2.165
local terms energy: -236.588042
where:
bonds (distance) C4'-P energy: -48.298
bonds (distance) P-C4' energy: -67.612
flat angles C4'-P-C4' energy: -60.683
flat angles P-C4'-P energy: -45.280
tors. eta vs tors. theta energy: -14.714
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 72
Temperature: 1.150000
Total energy: -382.422013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -382.422013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -382.422013 (E_RNA)
where:
Base-Base interactions energy: -178.366
where: short stacking energy: -115.454
Base-Backbone interact. energy: 1.749
local terms energy: -205.805204
where:
bonds (distance) C4'-P energy: -70.006
bonds (distance) P-C4' energy: -48.109
flat angles C4'-P-C4' energy: -41.688
flat angles P-C4'-P energy: -35.967
tors. eta vs tors. theta energy: -10.035
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 72
Temperature: 1.200000
Total energy: -367.019963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.019963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.019963 (E_RNA)
where:
Base-Base interactions energy: -174.644
where: short stacking energy: -99.027
Base-Backbone interact. energy: -1.895
local terms energy: -190.480649
where:
bonds (distance) C4'-P energy: -56.990
bonds (distance) P-C4' energy: -58.089
flat angles C4'-P-C4' energy: -47.996
flat angles P-C4'-P energy: -27.982
tors. eta vs tors. theta energy: 0.575
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: 72
Temperature: 1.250000
Total energy: -320.622283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.622283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.622283 (E_RNA)
where:
Base-Base interactions energy: -115.925
where: short stacking energy: -95.178
Base-Backbone interact. energy: -0.575
local terms energy: -204.121510
where:
bonds (distance) C4'-P energy: -52.101
bonds (distance) P-C4' energy: -64.732
flat angles C4'-P-C4' energy: -61.613
flat angles P-C4'-P energy: -32.016
tors. eta vs tors. theta energy: 6.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 72
Temperature: 1.300000
Total energy: -295.667429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.667429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.667429 (E_RNA)
where:
Base-Base interactions energy: -93.645
where: short stacking energy: -72.689
Base-Backbone interact. energy: -2.353
local terms energy: -199.669186
where:
bonds (distance) C4'-P energy: -65.803
bonds (distance) P-C4' energy: -56.059
flat angles C4'-P-C4' energy: -59.128
flat angles P-C4'-P energy: -33.340
tors. eta vs tors. theta energy: 14.661
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 72
Temperature: 1.350000
Total energy: -259.347873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.347873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.347873 (E_RNA)
where:
Base-Base interactions energy: -115.300
where: short stacking energy: -66.895
Base-Backbone interact. energy: -2.096
local terms energy: -141.951815
where:
bonds (distance) C4'-P energy: -55.370
bonds (distance) P-C4' energy: -53.848
flat angles C4'-P-C4' energy: -52.306
flat angles P-C4'-P energy: -1.889
tors. eta vs tors. theta energy: 21.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 73
Temperature: 0.900000
Total energy: -1019.027993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1019.027993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1019.027993 (E_RNA)
where:
Base-Base interactions energy: -672.418
where: short stacking energy: -308.113
Base-Backbone interact. energy: 1.868
local terms energy: -348.477828
where:
bonds (distance) C4'-P energy: -60.620
bonds (distance) P-C4' energy: -71.533
flat angles C4'-P-C4' energy: -71.457
flat angles P-C4'-P energy: -46.981
tors. eta vs tors. theta energy: -97.888
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: 73
Temperature: 0.950000
Total energy: -999.049116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -999.049116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -999.049116 (E_RNA)
where:
Base-Base interactions energy: -661.644
where: short stacking energy: -293.288
Base-Backbone interact. energy: -0.991
local terms energy: -336.414033
where:
bonds (distance) C4'-P energy: -67.271
bonds (distance) P-C4' energy: -62.063
flat angles C4'-P-C4' energy: -73.721
flat angles P-C4'-P energy: -49.060
tors. eta vs tors. theta energy: -84.299
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 73
Temperature: 1.000000
Total energy: -874.362173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -874.362173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -874.362173 (E_RNA)
where:
Base-Base interactions energy: -559.384
where: short stacking energy: -274.906
Base-Backbone interact. energy: -1.461
local terms energy: -313.516872
where:
bonds (distance) C4'-P energy: -55.992
bonds (distance) P-C4' energy: -69.838
flat angles C4'-P-C4' energy: -71.126
flat angles P-C4'-P energy: -40.538
tors. eta vs tors. theta energy: -76.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 73
Temperature: 1.050000
Total energy: -757.446446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -757.446446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -757.446446 (E_RNA)
where:
Base-Base interactions energy: -485.932
where: short stacking energy: -234.959
Base-Backbone interact. energy: -0.603
local terms energy: -270.911609
where:
bonds (distance) C4'-P energy: -51.459
bonds (distance) P-C4' energy: -67.115
flat angles C4'-P-C4' energy: -64.971
flat angles P-C4'-P energy: -42.976
tors. eta vs tors. theta energy: -44.390
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: 5, replica: 2
=====================================
Write number: 73
Temperature: 1.100000
Total energy: -532.179515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.179515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.179515 (E_RNA)
where:
Base-Base interactions energy: -287.888
where: short stacking energy: -155.481
Base-Backbone interact. energy: -0.162
local terms energy: -244.129750
where:
bonds (distance) C4'-P energy: -57.515
bonds (distance) P-C4' energy: -67.051
flat angles C4'-P-C4' energy: -60.023
flat angles P-C4'-P energy: -35.992
tors. eta vs tors. theta energy: -23.550
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 73
Temperature: 1.150000
Total energy: -355.832166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.832166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.832166 (E_RNA)
where:
Base-Base interactions energy: -142.157
where: short stacking energy: -97.198
Base-Backbone interact. energy: 1.811
local terms energy: -215.486338
where:
bonds (distance) C4'-P energy: -69.607
bonds (distance) P-C4' energy: -67.535
flat angles C4'-P-C4' energy: -61.966
flat angles P-C4'-P energy: -21.167
tors. eta vs tors. theta energy: 4.789
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: 73
Temperature: 1.200000
Total energy: -359.654307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.654307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.654307 (E_RNA)
where:
Base-Base interactions energy: -143.124
where: short stacking energy: -105.611
Base-Backbone interact. energy: -3.295
local terms energy: -213.234806
where:
bonds (distance) C4'-P energy: -59.708
bonds (distance) P-C4' energy: -48.458
flat angles C4'-P-C4' energy: -55.808
flat angles P-C4'-P energy: -40.011
tors. eta vs tors. theta energy: -9.250
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 73
Temperature: 1.250000
Total energy: -331.594441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.594441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.594441 (E_RNA)
where:
Base-Base interactions energy: -124.097
where: short stacking energy: -104.614
Base-Backbone interact. energy: -0.255
local terms energy: -207.242363
where:
bonds (distance) C4'-P energy: -50.963
bonds (distance) P-C4' energy: -70.746
flat angles C4'-P-C4' energy: -42.075
flat angles P-C4'-P energy: -40.860
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: 8
=====================================
Write number: 73
Temperature: 1.300000
Total energy: -298.060908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.060908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.060908 (E_RNA)
where:
Base-Base interactions energy: -105.463
where: short stacking energy: -85.356
Base-Backbone interact. energy: 0.872
local terms energy: -193.470059
where:
bonds (distance) C4'-P energy: -46.174
bonds (distance) P-C4' energy: -58.653
flat angles C4'-P-C4' energy: -62.994
flat angles P-C4'-P energy: -37.528
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: 10, replica: 7
=====================================
Write number: 73
Temperature: 1.350000
Total energy: -269.468346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.468346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.468346 (E_RNA)
where:
Base-Base interactions energy: -81.467
where: short stacking energy: -62.022
Base-Backbone interact. energy: -0.214
local terms energy: -187.787798
where:
bonds (distance) C4'-P energy: -53.768
bonds (distance) P-C4' energy: -69.534
flat angles C4'-P-C4' energy: -55.539
flat angles P-C4'-P energy: -30.778
tors. eta vs tors. theta energy: 21.831
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: 4
=====================================
Write number: 74
Temperature: 0.900000
Total energy: -1060.621355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1060.621355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1060.621355 (E_RNA)
where:
Base-Base interactions energy: -690.470
where: short stacking energy: -326.435
Base-Backbone interact. energy: 0.592
local terms energy: -370.743399
where:
bonds (distance) C4'-P energy: -63.953
bonds (distance) P-C4' energy: -65.660
flat angles C4'-P-C4' energy: -77.751
flat angles P-C4'-P energy: -52.495
tors. eta vs tors. theta energy: -110.884
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: 3
=====================================
Write number: 74
Temperature: 0.950000
Total energy: -997.471776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -997.471776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -997.471776 (E_RNA)
where:
Base-Base interactions energy: -650.612
where: short stacking energy: -277.925
Base-Backbone interact. energy: 0.586
local terms energy: -347.445451
where:
bonds (distance) C4'-P energy: -78.887
bonds (distance) P-C4' energy: -73.611
flat angles C4'-P-C4' energy: -67.508
flat angles P-C4'-P energy: -49.558
tors. eta vs tors. theta energy: -77.882
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 74
Temperature: 1.000000
Total energy: -882.978725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -882.978725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -882.978725 (E_RNA)
where:
Base-Base interactions energy: -557.528
where: short stacking energy: -266.402
Base-Backbone interact. energy: -0.841
local terms energy: -324.609374
where:
bonds (distance) C4'-P energy: -58.781
bonds (distance) P-C4' energy: -67.317
flat angles C4'-P-C4' energy: -66.854
flat angles P-C4'-P energy: -46.896
tors. eta vs tors. theta energy: -84.761
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 74
Temperature: 1.050000
Total energy: -750.184223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -750.184223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -750.184223 (E_RNA)
where:
Base-Base interactions energy: -466.270
where: short stacking energy: -221.882
Base-Backbone interact. energy: 2.152
local terms energy: -286.066078
where:
bonds (distance) C4'-P energy: -65.512
bonds (distance) P-C4' energy: -60.059
flat angles C4'-P-C4' energy: -67.441
flat angles P-C4'-P energy: -42.327
tors. eta vs tors. theta energy: -50.727
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: 2
=====================================
Write number: 74
Temperature: 1.100000
Total energy: -497.658709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.658709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.658709 (E_RNA)
where:
Base-Base interactions energy: -273.771
where: short stacking energy: -165.039
Base-Backbone interact. energy: 1.857
local terms energy: -225.744919
where:
bonds (distance) C4'-P energy: -52.260
bonds (distance) P-C4' energy: -63.608
flat angles C4'-P-C4' energy: -60.943
flat angles P-C4'-P energy: -32.217
tors. eta vs tors. theta energy: -16.717
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: 6
=====================================
Write number: 74
Temperature: 1.150000
Total energy: -411.510561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.510561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.510561 (E_RNA)
where:
Base-Base interactions energy: -206.553
where: short stacking energy: -120.025
Base-Backbone interact. energy: -0.635
local terms energy: -204.322997
where:
bonds (distance) C4'-P energy: -57.516
bonds (distance) P-C4' energy: -53.349
flat angles C4'-P-C4' energy: -63.295
flat angles P-C4'-P energy: -33.204
tors. eta vs tors. theta energy: 3.041
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: 10
=====================================
Write number: 74
Temperature: 1.200000
Total energy: -375.945243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -375.945243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -375.945243 (E_RNA)
where:
Base-Base interactions energy: -150.219
where: short stacking energy: -116.149
Base-Backbone interact. energy: -1.684
local terms energy: -224.042827
where:
bonds (distance) C4'-P energy: -64.142
bonds (distance) P-C4' energy: -58.909
flat angles C4'-P-C4' energy: -62.956
flat angles P-C4'-P energy: -32.158
tors. eta vs tors. theta energy: -5.878
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 74
Temperature: 1.250000
Total energy: -298.786969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.786969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.786969 (E_RNA)
where:
Base-Base interactions energy: -105.281
where: short stacking energy: -71.470
Base-Backbone interact. energy: -0.948
local terms energy: -192.558205
where:
bonds (distance) C4'-P energy: -52.623
bonds (distance) P-C4' energy: -62.360
flat angles C4'-P-C4' energy: -43.005
flat angles P-C4'-P energy: -38.433
tors. eta vs tors. theta energy: 3.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 74
Temperature: 1.300000
Total energy: -302.888835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.888835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.888835 (E_RNA)
where:
Base-Base interactions energy: -85.335
where: short stacking energy: -79.321
Base-Backbone interact. energy: -1.461
local terms energy: -216.092462
where:
bonds (distance) C4'-P energy: -61.099
bonds (distance) P-C4' energy: -64.224
flat angles C4'-P-C4' energy: -54.058
flat angles P-C4'-P energy: -37.222
tors. eta vs tors. theta energy: 0.511
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 74
Temperature: 1.350000
Total energy: -261.526475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.526475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.526475 (E_RNA)
where:
Base-Base interactions energy: -92.674
where: short stacking energy: -69.710
Base-Backbone interact. energy: -0.887
local terms energy: -167.965784
where:
bonds (distance) C4'-P energy: -46.346
bonds (distance) P-C4' energy: -53.228
flat angles C4'-P-C4' energy: -53.025
flat angles P-C4'-P energy: -33.828
tors. eta vs tors. theta energy: 18.462
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 75
Temperature: 0.900000
Total energy: -1069.680409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1069.680409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1069.680409 (E_RNA)
where:
Base-Base interactions energy: -683.290
where: short stacking energy: -316.043
Base-Backbone interact. energy: -1.553
local terms energy: -384.837066
where:
bonds (distance) C4'-P energy: -76.696
bonds (distance) P-C4' energy: -71.302
flat angles C4'-P-C4' energy: -77.354
flat angles P-C4'-P energy: -56.329
tors. eta vs tors. theta energy: -103.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 75
Temperature: 0.950000
Total energy: -985.767755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -985.767755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -985.767755 (E_RNA)
where:
Base-Base interactions energy: -660.837
where: short stacking energy: -266.838
Base-Backbone interact. energy: -1.645
local terms energy: -323.286125
where:
bonds (distance) C4'-P energy: -65.387
bonds (distance) P-C4' energy: -70.061
flat angles C4'-P-C4' energy: -69.808
flat angles P-C4'-P energy: -43.784
tors. eta vs tors. theta energy: -74.246
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 75
Temperature: 1.000000
Total energy: -867.958399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -867.958399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -867.958399 (E_RNA)
where:
Base-Base interactions energy: -528.676
where: short stacking energy: -265.712
Base-Backbone interact. energy: -1.291
local terms energy: -337.991470
where:
bonds (distance) C4'-P energy: -58.398
bonds (distance) P-C4' energy: -74.794
flat angles C4'-P-C4' energy: -72.825
flat angles P-C4'-P energy: -45.727
tors. eta vs tors. theta energy: -86.248
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 75
Temperature: 1.050000
Total energy: -703.511101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -703.511101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -703.511101 (E_RNA)
where:
Base-Base interactions energy: -396.300
where: short stacking energy: -192.529
Base-Backbone interact. energy: 3.460
local terms energy: -310.671725
where:
bonds (distance) C4'-P energy: -68.231
bonds (distance) P-C4' energy: -73.935
flat angles C4'-P-C4' energy: -60.478
flat angles P-C4'-P energy: -47.187
tors. eta vs tors. theta energy: -60.840
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 75
Temperature: 1.100000
Total energy: -576.493676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -576.493676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -576.493676 (E_RNA)
where:
Base-Base interactions energy: -320.642
where: short stacking energy: -154.115
Base-Backbone interact. energy: -2.868
local terms energy: -252.982833
where:
bonds (distance) C4'-P energy: -60.671
bonds (distance) P-C4' energy: -69.025
flat angles C4'-P-C4' energy: -51.125
flat angles P-C4'-P energy: -45.922
tors. eta vs tors. theta energy: -26.240
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 75
Temperature: 1.150000
Total energy: -396.080410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -396.080410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -396.080410 (E_RNA)
where:
Base-Base interactions energy: -162.750
where: short stacking energy: -118.773
Base-Backbone interact. energy: -2.175
local terms energy: -231.155463
where:
bonds (distance) C4'-P energy: -53.626
bonds (distance) P-C4' energy: -65.721
flat angles C4'-P-C4' energy: -62.137
flat angles P-C4'-P energy: -37.942
tors. eta vs tors. theta energy: -11.730
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: 6
=====================================
Write number: 75
Temperature: 1.200000
Total energy: -417.725278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.725278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.725278 (E_RNA)
where:
Base-Base interactions energy: -184.878
where: short stacking energy: -122.960
Base-Backbone interact. energy: -1.661
local terms energy: -231.186445
where:
bonds (distance) C4'-P energy: -60.889
bonds (distance) P-C4' energy: -60.994
flat angles C4'-P-C4' energy: -61.386
flat angles P-C4'-P energy: -24.353
tors. eta vs tors. theta energy: -23.563
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 75
Temperature: 1.250000
Total energy: -305.269978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.269978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.269978 (E_RNA)
where:
Base-Base interactions energy: -102.116
where: short stacking energy: -81.726
Base-Backbone interact. energy: 0.096
local terms energy: -203.249838
where:
bonds (distance) C4'-P energy: -55.609
bonds (distance) P-C4' energy: -70.827
flat angles C4'-P-C4' energy: -44.796
flat angles P-C4'-P energy: -37.582
tors. eta vs tors. theta energy: 5.564
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 75
Temperature: 1.300000
Total energy: -291.637009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.637009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.637009 (E_RNA)
where:
Base-Base interactions energy: -109.935
where: short stacking energy: -76.827
Base-Backbone interact. energy: 0.665
local terms energy: -182.366861
where:
bonds (distance) C4'-P energy: -58.018
bonds (distance) P-C4' energy: -65.416
flat angles C4'-P-C4' energy: -47.423
flat angles P-C4'-P energy: -24.445
tors. eta vs tors. theta energy: 12.934
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: 7
=====================================
Write number: 75
Temperature: 1.350000
Total energy: -272.778105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.778105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.778105 (E_RNA)
where:
Base-Base interactions energy: -88.654
where: short stacking energy: -59.033
Base-Backbone interact. energy: 3.348
local terms energy: -187.471375
where:
bonds (distance) C4'-P energy: -60.897
bonds (distance) P-C4' energy: -64.485
flat angles C4'-P-C4' energy: -47.431
flat angles P-C4'-P energy: -33.307
tors. eta vs tors. theta energy: 18.648
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: 3
=====================================
Write number: 76
Temperature: 0.900000
Total energy: -1038.166772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1038.166772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1038.166772 (E_RNA)
where:
Base-Base interactions energy: -676.978
where: short stacking energy: -298.137
Base-Backbone interact. energy: -3.524
local terms energy: -357.665542
where:
bonds (distance) C4'-P energy: -82.091
bonds (distance) P-C4' energy: -65.226
flat angles C4'-P-C4' energy: -70.614
flat angles P-C4'-P energy: -56.800
tors. eta vs tors. theta energy: -82.934
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: 4
=====================================
Write number: 76
Temperature: 0.950000
Total energy: -1025.578745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1025.578745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1025.578745 (E_RNA)
where:
Base-Base interactions energy: -672.413
where: short stacking energy: -306.577
Base-Backbone interact. energy: 0.634
local terms energy: -353.800274
where:
bonds (distance) C4'-P energy: -64.716
bonds (distance) P-C4' energy: -61.268
flat angles C4'-P-C4' energy: -75.479
flat angles P-C4'-P energy: -50.112
tors. eta vs tors. theta energy: -102.226
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: 3, replica: 1
=====================================
Write number: 76
Temperature: 1.000000
Total energy: -871.466615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -871.466615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -871.466615 (E_RNA)
where:
Base-Base interactions energy: -547.825
where: short stacking energy: -273.761
Base-Backbone interact. energy: -0.168
local terms energy: -323.473587
where:
bonds (distance) C4'-P energy: -65.685
bonds (distance) P-C4' energy: -70.401
flat angles C4'-P-C4' energy: -72.046
flat angles P-C4'-P energy: -37.165
tors. eta vs tors. theta energy: -78.176
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 76
Temperature: 1.050000
Total energy: -691.063582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -691.063582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -691.063582 (E_RNA)
where:
Base-Base interactions energy: -405.349
where: short stacking energy: -208.808
Base-Backbone interact. energy: -0.766
local terms energy: -284.948862
where:
bonds (distance) C4'-P energy: -55.686
bonds (distance) P-C4' energy: -72.640
flat angles C4'-P-C4' energy: -63.816
flat angles P-C4'-P energy: -42.475
tors. eta vs tors. theta energy: -50.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 76
Temperature: 1.100000
Total energy: -582.156167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -582.156167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -582.156167 (E_RNA)
where:
Base-Base interactions energy: -341.705
where: short stacking energy: -163.207
Base-Backbone interact. energy: -0.249
local terms energy: -240.201913
where:
bonds (distance) C4'-P energy: -55.893
bonds (distance) P-C4' energy: -59.104
flat angles C4'-P-C4' energy: -51.092
flat angles P-C4'-P energy: -42.781
tors. eta vs tors. theta energy: -31.332
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: 76
Temperature: 1.150000
Total energy: -370.256110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.256110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.256110 (E_RNA)
where:
Base-Base interactions energy: -140.491
where: short stacking energy: -119.075
Base-Backbone interact. energy: -1.111
local terms energy: -228.654086
where:
bonds (distance) C4'-P energy: -65.954
bonds (distance) P-C4' energy: -74.308
flat angles C4'-P-C4' energy: -59.476
flat angles P-C4'-P energy: -24.253
tors. eta vs tors. theta energy: -4.663
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 76
Temperature: 1.200000
Total energy: -325.053366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.053366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.053366 (E_RNA)
where:
Base-Base interactions energy: -116.047
where: short stacking energy: -99.221
Base-Backbone interact. energy: -2.749
local terms energy: -206.256512
where:
bonds (distance) C4'-P energy: -62.263
bonds (distance) P-C4' energy: -54.783
flat angles C4'-P-C4' energy: -62.398
flat angles P-C4'-P energy: -29.760
tors. eta vs tors. theta energy: 2.947
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 76
Temperature: 1.250000
Total energy: -346.558827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.558827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.558827 (E_RNA)
where:
Base-Base interactions energy: -142.700
where: short stacking energy: -117.135
Base-Backbone interact. energy: 2.919
local terms energy: -206.777907
where:
bonds (distance) C4'-P energy: -54.623
bonds (distance) P-C4' energy: -59.104
flat angles C4'-P-C4' energy: -46.283
flat angles P-C4'-P energy: -38.490
tors. eta vs tors. theta energy: -8.278
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 76
Temperature: 1.300000
Total energy: -281.684891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.684891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.684891 (E_RNA)
where:
Base-Base interactions energy: -111.023
where: short stacking energy: -87.082
Base-Backbone interact. energy: 2.032
local terms energy: -172.694105
where:
bonds (distance) C4'-P energy: -61.940
bonds (distance) P-C4' energy: -46.247
flat angles C4'-P-C4' energy: -56.591
flat angles P-C4'-P energy: -23.906
tors. eta vs tors. theta energy: 15.990
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 76
Temperature: 1.350000
Total energy: -260.619875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.619875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.619875 (E_RNA)
where:
Base-Base interactions energy: -74.287
where: short stacking energy: -57.879
Base-Backbone interact. energy: 1.272
local terms energy: -187.605424
where:
bonds (distance) C4'-P energy: -50.989
bonds (distance) P-C4' energy: -67.967
flat angles C4'-P-C4' energy: -47.632
flat angles P-C4'-P energy: -29.493
tors. eta vs tors. theta energy: 8.476
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: 77
Temperature: 0.900000
Total energy: -1022.316431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1022.316431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1022.316431 (E_RNA)
where:
Base-Base interactions energy: -680.496
where: short stacking energy: -308.366
Base-Backbone interact. energy: -2.881
local terms energy: -338.939165
where:
bonds (distance) C4'-P energy: -66.129
bonds (distance) P-C4' energy: -67.179
flat angles C4'-P-C4' energy: -76.747
flat angles P-C4'-P energy: -44.675
tors. eta vs tors. theta energy: -84.210
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: 4
=====================================
Write number: 77
Temperature: 0.950000
Total energy: -996.484169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -996.484169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -996.484169 (E_RNA)
where:
Base-Base interactions energy: -634.481
where: short stacking energy: -287.710
Base-Backbone interact. energy: 2.979
local terms energy: -364.982133
where:
bonds (distance) C4'-P energy: -73.368
bonds (distance) P-C4' energy: -65.280
flat angles C4'-P-C4' energy: -70.033
flat angles P-C4'-P energy: -55.732
tors. eta vs tors. theta energy: -100.568
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: 3, replica: 1
=====================================
Write number: 77
Temperature: 1.000000
Total energy: -873.342178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -873.342178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -873.342178 (E_RNA)
where:
Base-Base interactions energy: -550.807
where: short stacking energy: -260.513
Base-Backbone interact. energy: 1.075
local terms energy: -323.610263
where:
bonds (distance) C4'-P energy: -71.339
bonds (distance) P-C4' energy: -54.312
flat angles C4'-P-C4' energy: -72.083
flat angles P-C4'-P energy: -46.082
tors. eta vs tors. theta energy: -79.794
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 77
Temperature: 1.050000
Total energy: -716.020542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -716.020542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -716.020542 (E_RNA)
where:
Base-Base interactions energy: -415.936
where: short stacking energy: -248.184
Base-Backbone interact. energy: 1.504
local terms energy: -301.589186
where:
bonds (distance) C4'-P energy: -61.802
bonds (distance) P-C4' energy: -71.370
flat angles C4'-P-C4' energy: -62.185
flat angles P-C4'-P energy: -41.981
tors. eta vs tors. theta energy: -64.251
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 77
Temperature: 1.100000
Total energy: -578.877485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -578.877485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -578.877485 (E_RNA)
where:
Base-Base interactions energy: -304.320
where: short stacking energy: -170.297
Base-Backbone interact. energy: 1.877
local terms energy: -276.435114
where:
bonds (distance) C4'-P energy: -57.384
bonds (distance) P-C4' energy: -64.385
flat angles C4'-P-C4' energy: -61.963
flat angles P-C4'-P energy: -48.643
tors. eta vs tors. theta energy: -44.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 77
Temperature: 1.150000
Total energy: -343.197889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.197889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.197889 (E_RNA)
where:
Base-Base interactions energy: -128.509
where: short stacking energy: -92.458
Base-Backbone interact. energy: -0.131
local terms energy: -214.557481
where:
bonds (distance) C4'-P energy: -59.690
bonds (distance) P-C4' energy: -61.683
flat angles C4'-P-C4' energy: -56.026
flat angles P-C4'-P energy: -42.885
tors. eta vs tors. theta energy: 5.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 77
Temperature: 1.200000
Total energy: -352.483346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.483346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.483346 (E_RNA)
where:
Base-Base interactions energy: -144.871
where: short stacking energy: -115.657
Base-Backbone interact. energy: -1.496
local terms energy: -206.116597
where:
bonds (distance) C4'-P energy: -63.284
bonds (distance) P-C4' energy: -54.509
flat angles C4'-P-C4' energy: -68.083
flat angles P-C4'-P energy: -16.698
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: 8, replica: 6
=====================================
Write number: 77
Temperature: 1.250000
Total energy: -346.829541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.829541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.829541 (E_RNA)
where:
Base-Base interactions energy: -126.770
where: short stacking energy: -87.628
Base-Backbone interact. energy: 1.523
local terms energy: -221.581830
where:
bonds (distance) C4'-P energy: -65.286
bonds (distance) P-C4' energy: -70.076
flat angles C4'-P-C4' energy: -46.557
flat angles P-C4'-P energy: -29.430
tors. eta vs tors. theta energy: -10.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 77
Temperature: 1.300000
Total energy: -322.538598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.538598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.538598 (E_RNA)
where:
Base-Base interactions energy: -138.777
where: short stacking energy: -91.975
Base-Backbone interact. energy: 0.094
local terms energy: -183.855814
where:
bonds (distance) C4'-P energy: -57.413
bonds (distance) P-C4' energy: -60.568
flat angles C4'-P-C4' energy: -44.312
flat angles P-C4'-P energy: -19.301
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: 10, replica: 9
=====================================
Write number: 77
Temperature: 1.350000
Total energy: -263.174092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.174092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.174092 (E_RNA)
where:
Base-Base interactions energy: -81.902
where: short stacking energy: -69.256
Base-Backbone interact. energy: -1.305
local terms energy: -179.967120
where:
bonds (distance) C4'-P energy: -59.007
bonds (distance) P-C4' energy: -63.067
flat angles C4'-P-C4' energy: -49.112
flat angles P-C4'-P energy: -26.759
tors. eta vs tors. theta energy: 17.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 78
Temperature: 0.900000
Total energy: -1037.018941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1037.018941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1037.018941 (E_RNA)
where:
Base-Base interactions energy: -714.703
where: short stacking energy: -305.989
Base-Backbone interact. energy: -3.878
local terms energy: -318.437836
where:
bonds (distance) C4'-P energy: -53.813
bonds (distance) P-C4' energy: -65.817
flat angles C4'-P-C4' energy: -66.354
flat angles P-C4'-P energy: -49.504
tors. eta vs tors. theta energy: -82.950
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 78
Temperature: 0.950000
Total energy: -1007.606053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1007.606053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1007.606053 (E_RNA)
where:
Base-Base interactions energy: -631.105
where: short stacking energy: -298.163
Base-Backbone interact. energy: -1.116
local terms energy: -375.384988
where:
bonds (distance) C4'-P energy: -74.460
bonds (distance) P-C4' energy: -68.592
flat angles C4'-P-C4' energy: -77.694
flat angles P-C4'-P energy: -62.805
tors. eta vs tors. theta energy: -91.834
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 78
Temperature: 1.000000
Total energy: -847.401136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -847.401136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -847.401136 (E_RNA)
where:
Base-Base interactions energy: -528.048
where: short stacking energy: -243.150
Base-Backbone interact. energy: -2.133
local terms energy: -317.219931
where:
bonds (distance) C4'-P energy: -63.249
bonds (distance) P-C4' energy: -68.904
flat angles C4'-P-C4' energy: -62.748
flat angles P-C4'-P energy: -38.219
tors. eta vs tors. theta energy: -84.100
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: 5
=====================================
Write number: 78
Temperature: 1.050000
Total energy: -704.963090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -704.963090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -704.963090 (E_RNA)
where:
Base-Base interactions energy: -430.706
where: short stacking energy: -224.511
Base-Backbone interact. energy: 0.204
local terms energy: -274.461347
where:
bonds (distance) C4'-P energy: -51.656
bonds (distance) P-C4' energy: -62.039
flat angles C4'-P-C4' energy: -65.361
flat angles P-C4'-P energy: -35.330
tors. eta vs tors. theta energy: -60.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 78
Temperature: 1.100000
Total energy: -560.447573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -560.447573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -560.447573 (E_RNA)
where:
Base-Base interactions energy: -305.738
where: short stacking energy: -152.193
Base-Backbone interact. energy: -0.698
local terms energy: -254.011354
where:
bonds (distance) C4'-P energy: -60.820
bonds (distance) P-C4' energy: -71.126
flat angles C4'-P-C4' energy: -54.590
flat angles P-C4'-P energy: -36.527
tors. eta vs tors. theta energy: -30.948
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: 6, replica: 10
=====================================
Write number: 78
Temperature: 1.150000
Total energy: -470.666717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -470.666717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -470.666717 (E_RNA)
where:
Base-Base interactions energy: -222.005
where: short stacking energy: -140.871
Base-Backbone interact. energy: -1.816
local terms energy: -246.845983
where:
bonds (distance) C4'-P energy: -54.014
bonds (distance) P-C4' energy: -67.732
flat angles C4'-P-C4' energy: -59.042
flat angles P-C4'-P energy: -41.846
tors. eta vs tors. theta energy: -24.212
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 78
Temperature: 1.200000
Total energy: -325.534476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.534476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.534476 (E_RNA)
where:
Base-Base interactions energy: -126.250
where: short stacking energy: -77.419
Base-Backbone interact. energy: -0.834
local terms energy: -198.450955
where:
bonds (distance) C4'-P energy: -61.143
bonds (distance) P-C4' energy: -60.807
flat angles C4'-P-C4' energy: -49.138
flat angles P-C4'-P energy: -35.870
tors. eta vs tors. theta energy: 8.507
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: 8
=====================================
Write number: 78
Temperature: 1.250000
Total energy: -354.397649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.397649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.397649 (E_RNA)
where:
Base-Base interactions energy: -132.857
where: short stacking energy: -93.483
Base-Backbone interact. energy: -1.372
local terms energy: -220.169129
where:
bonds (distance) C4'-P energy: -59.934
bonds (distance) P-C4' energy: -71.199
flat angles C4'-P-C4' energy: -60.516
flat angles P-C4'-P energy: -24.870
tors. eta vs tors. theta energy: -3.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 78
Temperature: 1.300000
Total energy: -309.679950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.679950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.679950 (E_RNA)
where:
Base-Base interactions energy: -119.674
where: short stacking energy: -91.447
Base-Backbone interact. energy: 3.515
local terms energy: -193.521216
where:
bonds (distance) C4'-P energy: -52.792
bonds (distance) P-C4' energy: -64.700
flat angles C4'-P-C4' energy: -55.533
flat angles P-C4'-P energy: -21.747
tors. eta vs tors. theta energy: 1.251
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: 10, replica: 7
=====================================
Write number: 78
Temperature: 1.350000
Total energy: -263.921675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.921675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.921675 (E_RNA)
where:
Base-Base interactions energy: -93.006
where: short stacking energy: -75.593
Base-Backbone interact. energy: 1.237
local terms energy: -172.153138
where:
bonds (distance) C4'-P energy: -52.298
bonds (distance) P-C4' energy: -35.123
flat angles C4'-P-C4' energy: -54.975
flat angles P-C4'-P energy: -41.505
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: 1, replica: 3
=====================================
Write number: 79
Temperature: 0.900000
Total energy: -992.706479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -992.706479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -992.706479 (E_RNA)
where:
Base-Base interactions energy: -668.382
where: short stacking energy: -296.328
Base-Backbone interact. energy: -1.113
local terms energy: -323.211332
where:
bonds (distance) C4'-P energy: -66.774
bonds (distance) P-C4' energy: -68.742
flat angles C4'-P-C4' energy: -63.642
flat angles P-C4'-P energy: -37.551
tors. eta vs tors. theta energy: -86.502
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: 2, replica: 4
=====================================
Write number: 79
Temperature: 0.950000
Total energy: -1019.910262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1019.910262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1019.910262 (E_RNA)
where:
Base-Base interactions energy: -658.481
where: short stacking energy: -305.299
Base-Backbone interact. energy: -0.272
local terms energy: -361.157335
where:
bonds (distance) C4'-P energy: -61.446
bonds (distance) P-C4' energy: -70.434
flat angles C4'-P-C4' energy: -76.874
flat angles P-C4'-P energy: -54.497
tors. eta vs tors. theta energy: -97.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 79
Temperature: 1.000000
Total energy: -914.518264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -914.518264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -914.518264 (E_RNA)
where:
Base-Base interactions energy: -573.009
where: short stacking energy: -260.515
Base-Backbone interact. energy: -1.438
local terms energy: -340.071073
where:
bonds (distance) C4'-P energy: -72.950
bonds (distance) P-C4' energy: -61.204
flat angles C4'-P-C4' energy: -71.633
flat angles P-C4'-P energy: -39.930
tors. eta vs tors. theta energy: -94.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 79
Temperature: 1.050000
Total energy: -679.825603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -679.825603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -679.825603 (E_RNA)
where:
Base-Base interactions energy: -397.408
where: short stacking energy: -220.805
Base-Backbone interact. energy: -1.493
local terms energy: -280.925364
where:
bonds (distance) C4'-P energy: -49.346
bonds (distance) P-C4' energy: -70.554
flat angles C4'-P-C4' energy: -66.959
flat angles P-C4'-P energy: -41.315
tors. eta vs tors. theta energy: -52.752
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: 5, replica: 2
=====================================
Write number: 79
Temperature: 1.100000
Total energy: -550.041978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -550.041978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -550.041978 (E_RNA)
where:
Base-Base interactions energy: -286.381
where: short stacking energy: -144.093
Base-Backbone interact. energy: -0.494
local terms energy: -263.167288
where:
bonds (distance) C4'-P energy: -55.996
bonds (distance) P-C4' energy: -63.698
flat angles C4'-P-C4' energy: -67.529
flat angles P-C4'-P energy: -44.290
tors. eta vs tors. theta energy: -31.654
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 79
Temperature: 1.150000
Total energy: -423.569128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -423.569128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -423.569128 (E_RNA)
where:
Base-Base interactions energy: -210.887
where: short stacking energy: -128.005
Base-Backbone interact. energy: -0.896
local terms energy: -211.785760
where:
bonds (distance) C4'-P energy: -53.589
bonds (distance) P-C4' energy: -63.698
flat angles C4'-P-C4' energy: -52.292
flat angles P-C4'-P energy: -26.717
tors. eta vs tors. theta energy: -15.491
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 79
Temperature: 1.200000
Total energy: -352.277121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.277121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.277121 (E_RNA)
where:
Base-Base interactions energy: -137.754
where: short stacking energy: -95.191
Base-Backbone interact. energy: -1.550
local terms energy: -212.973617
where:
bonds (distance) C4'-P energy: -58.780
bonds (distance) P-C4' energy: -65.502
flat angles C4'-P-C4' energy: -52.528
flat angles P-C4'-P energy: -29.268
tors. eta vs tors. theta energy: -6.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 79
Temperature: 1.250000
Total energy: -328.762833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.762833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.762833 (E_RNA)
where:
Base-Base interactions energy: -128.919
where: short stacking energy: -98.740
Base-Backbone interact. energy: -0.558
local terms energy: -199.286009
where:
bonds (distance) C4'-P energy: -54.147
bonds (distance) P-C4' energy: -56.528
flat angles C4'-P-C4' energy: -64.165
flat angles P-C4'-P energy: -22.226
tors. eta vs tors. theta energy: -2.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 79
Temperature: 1.300000
Total energy: -298.609379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.609379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.609379 (E_RNA)
where:
Base-Base interactions energy: -83.231
where: short stacking energy: -75.458
Base-Backbone interact. energy: -0.455
local terms energy: -214.923429
where:
bonds (distance) C4'-P energy: -64.301
bonds (distance) P-C4' energy: -69.139
flat angles C4'-P-C4' energy: -55.386
flat angles P-C4'-P energy: -26.302
tors. eta vs tors. theta energy: 0.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 79
Temperature: 1.350000
Total energy: -257.574452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.574452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.574452 (E_RNA)
where:
Base-Base interactions energy: -76.783
where: short stacking energy: -61.190
Base-Backbone interact. energy: 12.305
local terms energy: -193.096908
where:
bonds (distance) C4'-P energy: -63.209
bonds (distance) P-C4' energy: -61.933
flat angles C4'-P-C4' energy: -49.804
flat angles P-C4'-P energy: -27.382
tors. eta vs tors. theta energy: 9.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 80
Temperature: 0.900000
Total energy: -1054.007793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1054.007793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1054.007793 (E_RNA)
where:
Base-Base interactions energy: -687.752
where: short stacking energy: -310.026
Base-Backbone interact. energy: -1.422
local terms energy: -364.833986
where:
bonds (distance) C4'-P energy: -74.436
bonds (distance) P-C4' energy: -69.825
flat angles C4'-P-C4' energy: -71.291
flat angles P-C4'-P energy: -50.791
tors. eta vs tors. theta energy: -98.491
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: 80
Temperature: 0.950000
Total energy: -981.619362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -981.619362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -981.619362 (E_RNA)
where:
Base-Base interactions energy: -629.441
where: short stacking energy: -278.339
Base-Backbone interact. energy: -2.262
local terms energy: -349.916016
where:
bonds (distance) C4'-P energy: -75.421
bonds (distance) P-C4' energy: -61.623
flat angles C4'-P-C4' energy: -81.483
flat angles P-C4'-P energy: -54.777
tors. eta vs tors. theta energy: -76.611
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: 3, replica: 1
=====================================
Write number: 80
Temperature: 1.000000
Total energy: -930.390254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -930.390254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -930.390254 (E_RNA)
where:
Base-Base interactions energy: -585.508
where: short stacking energy: -286.570
Base-Backbone interact. energy: -1.454
local terms energy: -343.428342
where:
bonds (distance) C4'-P energy: -64.549
bonds (distance) P-C4' energy: -71.940
flat angles C4'-P-C4' energy: -74.674
flat angles P-C4'-P energy: -41.470
tors. eta vs tors. theta energy: -90.794
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 80
Temperature: 1.050000
Total energy: -719.167436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -719.167436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -719.167436 (E_RNA)
where:
Base-Base interactions energy: -436.304
where: short stacking energy: -226.154
Base-Backbone interact. energy: 0.022
local terms energy: -282.886130
where:
bonds (distance) C4'-P energy: -57.631
bonds (distance) P-C4' energy: -60.026
flat angles C4'-P-C4' energy: -56.618
flat angles P-C4'-P energy: -41.581
tors. eta vs tors. theta energy: -67.031
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 80
Temperature: 1.100000
Total energy: -608.164480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -608.164480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -608.164480 (E_RNA)
where:
Base-Base interactions energy: -330.728
where: short stacking energy: -165.398
Base-Backbone interact. energy: -0.021
local terms energy: -277.414980
where:
bonds (distance) C4'-P energy: -68.734
bonds (distance) P-C4' energy: -65.052
flat angles C4'-P-C4' energy: -58.268
flat angles P-C4'-P energy: -38.864
tors. eta vs tors. theta energy: -46.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 80
Temperature: 1.150000
Total energy: -431.650385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -431.650385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -431.650385 (E_RNA)
where:
Base-Base interactions energy: -186.768
where: short stacking energy: -127.275
Base-Backbone interact. energy: -1.038
local terms energy: -243.843820
where:
bonds (distance) C4'-P energy: -68.138
bonds (distance) P-C4' energy: -58.649
flat angles C4'-P-C4' energy: -63.749
flat angles P-C4'-P energy: -36.299
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: 7, replica: 10
=====================================
Write number: 80
Temperature: 1.200000
Total energy: -349.322755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.322755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.322755 (E_RNA)
where:
Base-Base interactions energy: -133.861
where: short stacking energy: -97.331
Base-Backbone interact. energy: -4.427
local terms energy: -211.034127
where:
bonds (distance) C4'-P energy: -54.742
bonds (distance) P-C4' energy: -71.580
flat angles C4'-P-C4' energy: -44.267
flat angles P-C4'-P energy: -27.340
tors. eta vs tors. theta energy: -13.105
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: 8
=====================================
Write number: 80
Temperature: 1.250000
Total energy: -343.372304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.372304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.372304 (E_RNA)
where:
Base-Base interactions energy: -116.889
where: short stacking energy: -109.082
Base-Backbone interact. energy: -1.124
local terms energy: -225.359609
where:
bonds (distance) C4'-P energy: -49.144
bonds (distance) P-C4' energy: -66.116
flat angles C4'-P-C4' energy: -59.104
flat angles P-C4'-P energy: -44.149
tors. eta vs tors. theta energy: -6.846
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 80
Temperature: 1.300000
Total energy: -299.608954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.608954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.608954 (E_RNA)
where:
Base-Base interactions energy: -103.351
where: short stacking energy: -76.619
Base-Backbone interact. energy: 3.454
local terms energy: -199.712107
where:
bonds (distance) C4'-P energy: -57.741
bonds (distance) P-C4' energy: -60.847
flat angles C4'-P-C4' energy: -53.234
flat angles P-C4'-P energy: -36.328
tors. eta vs tors. theta energy: 8.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 80
Temperature: 1.350000
Total energy: -279.785823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.785823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.785823 (E_RNA)
where:
Base-Base interactions energy: -99.299
where: short stacking energy: -64.280
Base-Backbone interact. energy: 4.686
local terms energy: -185.172282
where:
bonds (distance) C4'-P energy: -54.545
bonds (distance) P-C4' energy: -50.840
flat angles C4'-P-C4' energy: -54.825
flat angles P-C4'-P energy: -37.574
tors. eta vs tors. theta energy: 12.612
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 81
Temperature: 0.900000
Total energy: -1042.242638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1042.242638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1042.242638 (E_RNA)
where:
Base-Base interactions energy: -677.598
where: short stacking energy: -313.483
Base-Backbone interact. energy: -1.453
local terms energy: -363.191618
where:
bonds (distance) C4'-P energy: -65.390
bonds (distance) P-C4' energy: -66.844
flat angles C4'-P-C4' energy: -73.935
flat angles P-C4'-P energy: -56.561
tors. eta vs tors. theta energy: -100.462
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 81
Temperature: 0.950000
Total energy: -954.359431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -954.359431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -954.359431 (E_RNA)
where:
Base-Base interactions energy: -641.789
where: short stacking energy: -277.515
Base-Backbone interact. energy: -2.444
local terms energy: -310.126502
where:
bonds (distance) C4'-P energy: -55.083
bonds (distance) P-C4' energy: -61.146
flat angles C4'-P-C4' energy: -72.112
flat angles P-C4'-P energy: -42.840
tors. eta vs tors. theta energy: -78.947
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: 81
Temperature: 1.000000
Total energy: -945.625962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -945.625962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -945.625962 (E_RNA)
where:
Base-Base interactions energy: -622.630
where: short stacking energy: -289.973
Base-Backbone interact. energy: -1.970
local terms energy: -321.026033
where:
bonds (distance) C4'-P energy: -59.775
bonds (distance) P-C4' energy: -65.807
flat angles C4'-P-C4' energy: -65.566
flat angles P-C4'-P energy: -44.351
tors. eta vs tors. theta energy: -85.527
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 81
Temperature: 1.050000
Total energy: -794.928482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -794.928482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -794.928482 (E_RNA)
where:
Base-Base interactions energy: -486.052
where: short stacking energy: -219.839
Base-Backbone interact. energy: 1.757
local terms energy: -310.633297
where:
bonds (distance) C4'-P energy: -66.382
bonds (distance) P-C4' energy: -67.942
flat angles C4'-P-C4' energy: -71.895
flat angles P-C4'-P energy: -36.692
tors. eta vs tors. theta energy: -67.722
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: 2
=====================================
Write number: 81
Temperature: 1.100000
Total energy: -579.534297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -579.534297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -579.534297 (E_RNA)
where:
Base-Base interactions energy: -325.813
where: short stacking energy: -158.855
Base-Backbone interact. energy: -2.710
local terms energy: -251.011175
where:
bonds (distance) C4'-P energy: -58.214
bonds (distance) P-C4' energy: -67.376
flat angles C4'-P-C4' energy: -60.796
flat angles P-C4'-P energy: -47.219
tors. eta vs tors. theta energy: -17.406
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: 6
=====================================
Write number: 81
Temperature: 1.150000
Total energy: -429.168155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -429.168155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -429.168155 (E_RNA)
where:
Base-Base interactions energy: -205.866
where: short stacking energy: -140.331
Base-Backbone interact. energy: -0.208
local terms energy: -223.093693
where:
bonds (distance) C4'-P energy: -60.319
bonds (distance) P-C4' energy: -67.439
flat angles C4'-P-C4' energy: -55.722
flat angles P-C4'-P energy: -23.000
tors. eta vs tors. theta energy: -16.613
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: 81
Temperature: 1.200000
Total energy: -348.782132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.782132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.782132 (E_RNA)
where:
Base-Base interactions energy: -159.253
where: short stacking energy: -97.006
Base-Backbone interact. energy: -1.456
local terms energy: -188.072619
where:
bonds (distance) C4'-P energy: -56.213
bonds (distance) P-C4' energy: -54.957
flat angles C4'-P-C4' energy: -52.545
flat angles P-C4'-P energy: -21.204
tors. eta vs tors. theta energy: -3.154
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 81
Temperature: 1.250000
Total energy: -323.589206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.589206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.589206 (E_RNA)
where:
Base-Base interactions energy: -122.920
where: short stacking energy: -93.487
Base-Backbone interact. energy: -0.009
local terms energy: -200.660156
where:
bonds (distance) C4'-P energy: -57.917
bonds (distance) P-C4' energy: -59.462
flat angles C4'-P-C4' energy: -56.145
flat angles P-C4'-P energy: -21.823
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: 81
Temperature: 1.300000
Total energy: -303.763794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.763794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.763794 (E_RNA)
where:
Base-Base interactions energy: -94.476
where: short stacking energy: -80.867
Base-Backbone interact. energy: 2.241
local terms energy: -211.528193
where:
bonds (distance) C4'-P energy: -65.250
bonds (distance) P-C4' energy: -61.729
flat angles C4'-P-C4' energy: -56.290
flat angles P-C4'-P energy: -30.380
tors. eta vs tors. theta energy: 2.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 81
Temperature: 1.350000
Total energy: -260.716112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.716112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.716112 (E_RNA)
where:
Base-Base interactions energy: -76.676
where: short stacking energy: -67.000
Base-Backbone interact. energy: 0.532
local terms energy: -184.572164
where:
bonds (distance) C4'-P energy: -50.812
bonds (distance) P-C4' energy: -58.130
flat angles C4'-P-C4' energy: -48.528
flat angles P-C4'-P energy: -35.432
tors. eta vs tors. theta energy: 8.330
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: 4
=====================================
Write number: 82
Temperature: 0.900000
Total energy: -1052.609187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1052.609187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1052.609187 (E_RNA)
where:
Base-Base interactions energy: -686.087
where: short stacking energy: -325.205
Base-Backbone interact. energy: -2.202
local terms energy: -364.320535
where:
bonds (distance) C4'-P energy: -60.292
bonds (distance) P-C4' energy: -73.598
flat angles C4'-P-C4' energy: -70.828
flat angles P-C4'-P energy: -47.967
tors. eta vs tors. theta energy: -111.635
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 82
Temperature: 0.950000
Total energy: -967.771165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -967.771165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -967.771165 (E_RNA)
where:
Base-Base interactions energy: -622.040
where: short stacking energy: -273.523
Base-Backbone interact. energy: 0.801
local terms energy: -346.531812
where:
bonds (distance) C4'-P energy: -64.542
bonds (distance) P-C4' energy: -80.618
flat angles C4'-P-C4' energy: -79.890
flat angles P-C4'-P energy: -44.598
tors. eta vs tors. theta energy: -76.883
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 82
Temperature: 1.000000
Total energy: -898.731041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -898.731041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -898.731041 (E_RNA)
where:
Base-Base interactions energy: -574.671
where: short stacking energy: -259.884
Base-Backbone interact. energy: -1.434
local terms energy: -322.626282
where:
bonds (distance) C4'-P energy: -65.434
bonds (distance) P-C4' energy: -70.211
flat angles C4'-P-C4' energy: -66.507
flat angles P-C4'-P energy: -41.274
tors. eta vs tors. theta energy: -79.200
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: 5
=====================================
Write number: 82
Temperature: 1.050000
Total energy: -858.682189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -858.682189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -858.682189 (E_RNA)
where:
Base-Base interactions energy: -552.276
where: short stacking energy: -246.335
Base-Backbone interact. energy: 0.298
local terms energy: -306.703978
where:
bonds (distance) C4'-P energy: -63.566
bonds (distance) P-C4' energy: -71.665
flat angles C4'-P-C4' energy: -65.524
flat angles P-C4'-P energy: -39.327
tors. eta vs tors. theta energy: -66.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 82
Temperature: 1.100000
Total energy: -650.195549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -650.195549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -650.195549 (E_RNA)
where:
Base-Base interactions energy: -389.240
where: short stacking energy: -187.636
Base-Backbone interact. energy: 1.880
local terms energy: -262.835535
where:
bonds (distance) C4'-P energy: -74.519
bonds (distance) P-C4' energy: -55.630
flat angles C4'-P-C4' energy: -46.389
flat angles P-C4'-P energy: -47.023
tors. eta vs tors. theta energy: -39.275
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: 6, replica: 6
=====================================
Write number: 82
Temperature: 1.150000
Total energy: -452.445783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -452.445783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -452.445783 (E_RNA)
where:
Base-Base interactions energy: -208.476
where: short stacking energy: -127.236
Base-Backbone interact. energy: -1.567
local terms energy: -242.402674
where:
bonds (distance) C4'-P energy: -62.111
bonds (distance) P-C4' energy: -66.472
flat angles C4'-P-C4' energy: -65.971
flat angles P-C4'-P energy: -35.143
tors. eta vs tors. theta energy: -12.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 82
Temperature: 1.200000
Total energy: -390.680412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -390.680412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -390.680412 (E_RNA)
where:
Base-Base interactions energy: -179.310
where: short stacking energy: -113.407
Base-Backbone interact. energy: 2.642
local terms energy: -214.012497
where:
bonds (distance) C4'-P energy: -53.848
bonds (distance) P-C4' energy: -67.295
flat angles C4'-P-C4' energy: -47.829
flat angles P-C4'-P energy: -44.021
tors. eta vs tors. theta energy: -1.019
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 82
Temperature: 1.250000
Total energy: -303.865990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.865990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.865990 (E_RNA)
where:
Base-Base interactions energy: -103.542
where: short stacking energy: -88.340
Base-Backbone interact. energy: 0.697
local terms energy: -201.020764
where:
bonds (distance) C4'-P energy: -60.749
bonds (distance) P-C4' energy: -72.303
flat angles C4'-P-C4' energy: -46.356
flat angles P-C4'-P energy: -22.366
tors. eta vs tors. theta energy: 0.752
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: 7
=====================================
Write number: 82
Temperature: 1.300000
Total energy: -283.817318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.817318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.817318 (E_RNA)
where:
Base-Base interactions energy: -83.782
where: short stacking energy: -70.632
Base-Backbone interact. energy: -1.848
local terms energy: -198.187329
where:
bonds (distance) C4'-P energy: -57.605
bonds (distance) P-C4' energy: -48.398
flat angles C4'-P-C4' energy: -58.126
flat angles P-C4'-P energy: -37.088
tors. eta vs tors. theta energy: 3.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 82
Temperature: 1.350000
Total energy: -272.986752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.986752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.986752 (E_RNA)
where:
Base-Base interactions energy: -101.501
where: short stacking energy: -70.547
Base-Backbone interact. energy: -0.451
local terms energy: -171.034493
where:
bonds (distance) C4'-P energy: -47.394
bonds (distance) P-C4' energy: -49.773
flat angles C4'-P-C4' energy: -63.507
flat angles P-C4'-P energy: -27.772
tors. eta vs tors. theta energy: 17.410
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 83
Temperature: 0.900000
Total energy: -1070.516190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1070.516190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1070.516190 (E_RNA)
where:
Base-Base interactions energy: -718.778
where: short stacking energy: -341.353
Base-Backbone interact. energy: -0.703
local terms energy: -351.034877
where:
bonds (distance) C4'-P energy: -63.140
bonds (distance) P-C4' energy: -55.528
flat angles C4'-P-C4' energy: -73.340
flat angles P-C4'-P energy: -51.876
tors. eta vs tors. theta energy: -107.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 83
Temperature: 0.950000
Total energy: -982.225706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -982.225706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -982.225706 (E_RNA)
where:
Base-Base interactions energy: -643.120
where: short stacking energy: -273.882
Base-Backbone interact. energy: 2.892
local terms energy: -341.997729
where:
bonds (distance) C4'-P energy: -68.820
bonds (distance) P-C4' energy: -60.809
flat angles C4'-P-C4' energy: -78.281
flat angles P-C4'-P energy: -48.277
tors. eta vs tors. theta energy: -85.811
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 83
Temperature: 1.000000
Total energy: -928.706570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -928.706570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -928.706570 (E_RNA)
where:
Base-Base interactions energy: -613.522
where: short stacking energy: -266.882
Base-Backbone interact. energy: 0.151
local terms energy: -315.335568
where:
bonds (distance) C4'-P energy: -53.614
bonds (distance) P-C4' energy: -67.012
flat angles C4'-P-C4' energy: -70.450
flat angles P-C4'-P energy: -43.785
tors. eta vs tors. theta energy: -80.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 83
Temperature: 1.050000
Total energy: -800.272142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -800.272142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -800.272142 (E_RNA)
where:
Base-Base interactions energy: -512.719
where: short stacking energy: -230.249
Base-Backbone interact. energy: 0.617
local terms energy: -288.170101
where:
bonds (distance) C4'-P energy: -55.657
bonds (distance) P-C4' energy: -63.016
flat angles C4'-P-C4' energy: -62.401
flat angles P-C4'-P energy: -34.585
tors. eta vs tors. theta energy: -72.511
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 83
Temperature: 1.100000
Total energy: -646.474352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -646.474352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -646.474352 (E_RNA)
where:
Base-Base interactions energy: -381.959
where: short stacking energy: -193.752
Base-Backbone interact. energy: -0.610
local terms energy: -263.905062
where:
bonds (distance) C4'-P energy: -61.573
bonds (distance) P-C4' energy: -60.001
flat angles C4'-P-C4' energy: -54.468
flat angles P-C4'-P energy: -43.094
tors. eta vs tors. theta energy: -44.770
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: 6, replica: 6
=====================================
Write number: 83
Temperature: 1.150000
Total energy: -483.996931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.996931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -483.996931 (E_RNA)
where:
Base-Base interactions energy: -234.295
where: short stacking energy: -131.307
Base-Backbone interact. energy: -0.992
local terms energy: -248.709764
where:
bonds (distance) C4'-P energy: -68.535
bonds (distance) P-C4' energy: -66.002
flat angles C4'-P-C4' energy: -53.730
flat angles P-C4'-P energy: -39.960
tors. eta vs tors. theta energy: -20.483
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 83
Temperature: 1.200000
Total energy: -395.458032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -395.458032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -395.458032 (E_RNA)
where:
Base-Base interactions energy: -171.016
where: short stacking energy: -110.457
Base-Backbone interact. energy: 0.263
local terms energy: -224.705130
where:
bonds (distance) C4'-P energy: -66.731
bonds (distance) P-C4' energy: -49.450
flat angles C4'-P-C4' energy: -68.719
flat angles P-C4'-P energy: -28.851
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: 8, replica: 7
=====================================
Write number: 83
Temperature: 1.250000
Total energy: -334.417219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.417219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.417219 (E_RNA)
where:
Base-Base interactions energy: -137.216
where: short stacking energy: -101.956
Base-Backbone interact. energy: -1.053
local terms energy: -196.147659
where:
bonds (distance) C4'-P energy: -60.715
bonds (distance) P-C4' energy: -48.890
flat angles C4'-P-C4' energy: -50.944
flat angles P-C4'-P energy: -28.804
tors. eta vs tors. theta energy: -6.794
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 83
Temperature: 1.300000
Total energy: -305.097238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.097238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.097238 (E_RNA)
where:
Base-Base interactions energy: -100.967
where: short stacking energy: -89.470
Base-Backbone interact. energy: -0.554
local terms energy: -203.575661
where:
bonds (distance) C4'-P energy: -52.298
bonds (distance) P-C4' energy: -57.857
flat angles C4'-P-C4' energy: -51.929
flat angles P-C4'-P energy: -36.216
tors. eta vs tors. theta energy: -5.276
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 83
Temperature: 1.350000
Total energy: -265.282670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.282670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.282670 (E_RNA)
where:
Base-Base interactions energy: -83.503
where: short stacking energy: -68.393
Base-Backbone interact. energy: -1.825
local terms energy: -179.955014
where:
bonds (distance) C4'-P energy: -61.044
bonds (distance) P-C4' energy: -63.052
flat angles C4'-P-C4' energy: -49.272
flat angles P-C4'-P energy: -23.106
tors. eta vs tors. theta energy: 16.518
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: 84
Temperature: 0.900000
Total energy: -1076.769067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1076.769067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1076.769067 (E_RNA)
where:
Base-Base interactions energy: -708.393
where: short stacking energy: -323.340
Base-Backbone interact. energy: -0.551
local terms energy: -367.824934
where:
bonds (distance) C4'-P energy: -73.227
bonds (distance) P-C4' energy: -66.621
flat angles C4'-P-C4' energy: -73.260
flat angles P-C4'-P energy: -47.264
tors. eta vs tors. theta energy: -107.452
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 84
Temperature: 0.950000
Total energy: -980.001332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -980.001332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -980.001332 (E_RNA)
where:
Base-Base interactions energy: -652.947
where: short stacking energy: -268.471
Base-Backbone interact. energy: -2.896
local terms energy: -324.158363
where:
bonds (distance) C4'-P energy: -62.045
bonds (distance) P-C4' energy: -63.056
flat angles C4'-P-C4' energy: -72.770
flat angles P-C4'-P energy: -49.889
tors. eta vs tors. theta energy: -76.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 84
Temperature: 1.000000
Total energy: -921.610035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -921.610035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -921.610035 (E_RNA)
where:
Base-Base interactions energy: -585.577
where: short stacking energy: -256.923
Base-Backbone interact. energy: -0.106
local terms energy: -335.926464
where:
bonds (distance) C4'-P energy: -67.726
bonds (distance) P-C4' energy: -68.829
flat angles C4'-P-C4' energy: -75.998
flat angles P-C4'-P energy: -41.719
tors. eta vs tors. theta energy: -81.654
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: 4, replica: 5
=====================================
Write number: 84
Temperature: 1.050000
Total energy: -833.770357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -833.770357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -833.770357 (E_RNA)
where:
Base-Base interactions energy: -545.152
where: short stacking energy: -223.717
Base-Backbone interact. energy: -0.695
local terms energy: -287.924170
where:
bonds (distance) C4'-P energy: -54.926
bonds (distance) P-C4' energy: -74.700
flat angles C4'-P-C4' energy: -57.150
flat angles P-C4'-P energy: -36.894
tors. eta vs tors. theta energy: -64.254
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: 2
=====================================
Write number: 84
Temperature: 1.100000
Total energy: -690.691186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -690.691186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -690.691186 (E_RNA)
where:
Base-Base interactions energy: -422.661
where: short stacking energy: -182.234
Base-Backbone interact. energy: -1.379
local terms energy: -266.651213
where:
bonds (distance) C4'-P energy: -56.440
bonds (distance) P-C4' energy: -71.845
flat angles C4'-P-C4' energy: -59.178
flat angles P-C4'-P energy: -41.084
tors. eta vs tors. theta energy: -38.105
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: 6
=====================================
Write number: 84
Temperature: 1.150000
Total energy: -447.593025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -447.593025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -447.593025 (E_RNA)
where:
Base-Base interactions energy: -202.829
where: short stacking energy: -142.597
Base-Backbone interact. energy: -1.524
local terms energy: -243.240169
where:
bonds (distance) C4'-P energy: -67.961
bonds (distance) P-C4' energy: -58.101
flat angles C4'-P-C4' energy: -62.719
flat angles P-C4'-P energy: -36.913
tors. eta vs tors. theta energy: -17.546
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 84
Temperature: 1.200000
Total energy: -378.394367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -378.394367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -378.394367 (E_RNA)
where:
Base-Base interactions energy: -154.762
where: short stacking energy: -104.956
Base-Backbone interact. energy: -0.932
local terms energy: -222.701128
where:
bonds (distance) C4'-P energy: -61.517
bonds (distance) P-C4' energy: -60.288
flat angles C4'-P-C4' energy: -56.051
flat angles P-C4'-P energy: -38.589
tors. eta vs tors. theta energy: -6.257
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 84
Temperature: 1.250000
Total energy: -305.830050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.830050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.830050 (E_RNA)
where:
Base-Base interactions energy: -113.446
where: short stacking energy: -74.727
Base-Backbone interact. energy: -0.728
local terms energy: -191.655815
where:
bonds (distance) C4'-P energy: -59.515
bonds (distance) P-C4' energy: -63.074
flat angles C4'-P-C4' energy: -44.995
flat angles P-C4'-P energy: -22.848
tors. eta vs tors. theta energy: -1.223
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 84
Temperature: 1.300000
Total energy: -291.189064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.189064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.189064 (E_RNA)
where:
Base-Base interactions energy: -96.570
where: short stacking energy: -70.961
Base-Backbone interact. energy: 5.704
local terms energy: -200.322413
where:
bonds (distance) C4'-P energy: -57.773
bonds (distance) P-C4' energy: -70.182
flat angles C4'-P-C4' energy: -54.111
flat angles P-C4'-P energy: -29.746
tors. eta vs tors. theta energy: 11.491
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 84
Temperature: 1.350000
Total energy: -275.928567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.928567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.928567 (E_RNA)
where:
Base-Base interactions energy: -107.795
where: short stacking energy: -65.365
Base-Backbone interact. energy: -0.994
local terms energy: -167.138805
where:
bonds (distance) C4'-P energy: -53.555
bonds (distance) P-C4' energy: -50.729
flat angles C4'-P-C4' energy: -53.376
flat angles P-C4'-P energy: -17.677
tors. eta vs tors. theta energy: 8.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 85
Temperature: 0.900000
Total energy: -1068.168809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1068.168809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1068.168809 (E_RNA)
where:
Base-Base interactions energy: -702.625
where: short stacking energy: -330.066
Base-Backbone interact. energy: -1.911
local terms energy: -363.632275
where:
bonds (distance) C4'-P energy: -67.445
bonds (distance) P-C4' energy: -67.226
flat angles C4'-P-C4' energy: -69.316
flat angles P-C4'-P energy: -50.869
tors. eta vs tors. theta energy: -108.777
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 85
Temperature: 0.950000
Total energy: -985.765921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -985.765921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -985.765921 (E_RNA)
where:
Base-Base interactions energy: -656.254
where: short stacking energy: -261.739
Base-Backbone interact. energy: 0.005
local terms energy: -329.517106
where:
bonds (distance) C4'-P energy: -77.105
bonds (distance) P-C4' energy: -66.472
flat angles C4'-P-C4' energy: -72.058
flat angles P-C4'-P energy: -46.180
tors. eta vs tors. theta energy: -67.702
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 85
Temperature: 1.000000
Total energy: -920.440300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -920.440300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -920.440300 (E_RNA)
where:
Base-Base interactions energy: -604.549
where: short stacking energy: -271.188
Base-Backbone interact. energy: -0.340
local terms energy: -315.551668
where:
bonds (distance) C4'-P energy: -55.104
bonds (distance) P-C4' energy: -57.693
flat angles C4'-P-C4' energy: -69.762
flat angles P-C4'-P energy: -51.475
tors. eta vs tors. theta energy: -81.518
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 85
Temperature: 1.050000
Total energy: -848.011770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -848.011770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -848.011770 (E_RNA)
where:
Base-Base interactions energy: -549.265
where: short stacking energy: -243.393
Base-Backbone interact. energy: -1.023
local terms energy: -297.723296
where:
bonds (distance) C4'-P energy: -60.840
bonds (distance) P-C4' energy: -66.664
flat angles C4'-P-C4' energy: -73.091
flat angles P-C4'-P energy: -40.506
tors. eta vs tors. theta energy: -56.623
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 85
Temperature: 1.100000
Total energy: -655.430245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -655.430245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -655.430245 (E_RNA)
where:
Base-Base interactions energy: -401.090
where: short stacking energy: -184.690
Base-Backbone interact. energy: -2.292
local terms energy: -252.048635
where:
bonds (distance) C4'-P energy: -57.313
bonds (distance) P-C4' energy: -70.303
flat angles C4'-P-C4' energy: -62.288
flat angles P-C4'-P energy: -30.377
tors. eta vs tors. theta energy: -31.768
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 85
Temperature: 1.150000
Total energy: -478.535751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.535751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -478.535751 (E_RNA)
where:
Base-Base interactions energy: -248.340
where: short stacking energy: -122.723
Base-Backbone interact. energy: -0.820
local terms energy: -229.376089
where:
bonds (distance) C4'-P energy: -68.475
bonds (distance) P-C4' energy: -67.438
flat angles C4'-P-C4' energy: -44.807
flat angles P-C4'-P energy: -40.407
tors. eta vs tors. theta energy: -8.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 85
Temperature: 1.200000
Total energy: -342.311257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.311257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.311257 (E_RNA)
where:
Base-Base interactions energy: -139.492
where: short stacking energy: -82.918
Base-Backbone interact. energy: 4.569
local terms energy: -207.387991
where:
bonds (distance) C4'-P energy: -61.194
bonds (distance) P-C4' energy: -60.791
flat angles C4'-P-C4' energy: -54.317
flat angles P-C4'-P energy: -34.158
tors. eta vs tors. theta energy: 3.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 85
Temperature: 1.250000
Total energy: -326.747269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.747269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.747269 (E_RNA)
where:
Base-Base interactions energy: -136.349
where: short stacking energy: -84.087
Base-Backbone interact. energy: 2.693
local terms energy: -193.091698
where:
bonds (distance) C4'-P energy: -58.771
bonds (distance) P-C4' energy: -61.097
flat angles C4'-P-C4' energy: -55.385
flat angles P-C4'-P energy: -26.875
tors. eta vs tors. theta energy: 9.036
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 85
Temperature: 1.300000
Total energy: -308.889688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.889688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.889688 (E_RNA)
where:
Base-Base interactions energy: -118.567
where: short stacking energy: -84.132
Base-Backbone interact. energy: -0.309
local terms energy: -190.013575
where:
bonds (distance) C4'-P energy: -54.428
bonds (distance) P-C4' energy: -59.261
flat angles C4'-P-C4' energy: -53.312
flat angles P-C4'-P energy: -28.740
tors. eta vs tors. theta energy: 5.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 85
Temperature: 1.350000
Total energy: -275.136752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.136752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.136752 (E_RNA)
where:
Base-Base interactions energy: -88.230
where: short stacking energy: -72.496
Base-Backbone interact. energy: -0.282
local terms energy: -186.624258
where:
bonds (distance) C4'-P energy: -58.376
bonds (distance) P-C4' energy: -61.832
flat angles C4'-P-C4' energy: -49.628
flat angles P-C4'-P energy: -25.377
tors. eta vs tors. theta energy: 8.589
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 86
Temperature: 0.900000
Total energy: -1064.290628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1064.290628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1064.290628 (E_RNA)
where:
Base-Base interactions energy: -685.086
where: short stacking energy: -336.436
Base-Backbone interact. energy: -0.260
local terms energy: -378.944111
where:
bonds (distance) C4'-P energy: -72.523
bonds (distance) P-C4' energy: -70.348
flat angles C4'-P-C4' energy: -72.956
flat angles P-C4'-P energy: -50.074
tors. eta vs tors. theta energy: -113.043
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: 3
=====================================
Write number: 86
Temperature: 0.950000
Total energy: -985.639922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -985.639922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -985.639922 (E_RNA)
where:
Base-Base interactions energy: -645.662
where: short stacking energy: -266.087
Base-Backbone interact. energy: -2.512
local terms energy: -337.466132
where:
bonds (distance) C4'-P energy: -66.725
bonds (distance) P-C4' energy: -68.790
flat angles C4'-P-C4' energy: -78.108
flat angles P-C4'-P energy: -44.161
tors. eta vs tors. theta energy: -79.683
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: 1
=====================================
Write number: 86
Temperature: 1.000000
Total energy: -923.416449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -923.416449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -923.416449 (E_RNA)
where:
Base-Base interactions energy: -598.122
where: short stacking energy: -278.127
Base-Backbone interact. energy: -0.939
local terms energy: -324.355953
where:
bonds (distance) C4'-P energy: -54.188
bonds (distance) P-C4' energy: -61.700
flat angles C4'-P-C4' energy: -72.575
flat angles P-C4'-P energy: -42.520
tors. eta vs tors. theta energy: -93.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 86
Temperature: 1.050000
Total energy: -789.463791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -789.463791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -789.463791 (E_RNA)
where:
Base-Base interactions energy: -488.048
where: short stacking energy: -220.712
Base-Backbone interact. energy: -2.460
local terms energy: -298.955240
where:
bonds (distance) C4'-P energy: -67.256
bonds (distance) P-C4' energy: -67.535
flat angles C4'-P-C4' energy: -74.713
flat angles P-C4'-P energy: -39.557
tors. eta vs tors. theta energy: -49.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 86
Temperature: 1.100000
Total energy: -642.815987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -642.815987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -642.815987 (E_RNA)
where:
Base-Base interactions energy: -363.665
where: short stacking energy: -197.288
Base-Backbone interact. energy: -0.315
local terms energy: -278.836498
where:
bonds (distance) C4'-P energy: -69.409
bonds (distance) P-C4' energy: -67.042
flat angles C4'-P-C4' energy: -68.542
flat angles P-C4'-P energy: -25.575
tors. eta vs tors. theta energy: -48.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 86
Temperature: 1.150000
Total energy: -462.832981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.832981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -462.832981 (E_RNA)
where:
Base-Base interactions energy: -224.224
where: short stacking energy: -141.265
Base-Backbone interact. energy: -0.859
local terms energy: -237.749453
where:
bonds (distance) C4'-P energy: -64.256
bonds (distance) P-C4' energy: -56.667
flat angles C4'-P-C4' energy: -64.206
flat angles P-C4'-P energy: -37.146
tors. eta vs tors. theta energy: -15.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 86
Temperature: 1.200000
Total energy: -382.149734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -382.149734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -382.149734 (E_RNA)
where:
Base-Base interactions energy: -168.725
where: short stacking energy: -125.052
Base-Backbone interact. energy: 0.999
local terms energy: -214.423796
where:
bonds (distance) C4'-P energy: -59.561
bonds (distance) P-C4' energy: -59.589
flat angles C4'-P-C4' energy: -52.716
flat angles P-C4'-P energy: -35.203
tors. eta vs tors. theta energy: -7.355
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: 86
Temperature: 1.250000
Total energy: -331.951503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.951503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.951503 (E_RNA)
where:
Base-Base interactions energy: -111.100
where: short stacking energy: -88.611
Base-Backbone interact. energy: 7.432
local terms energy: -228.283077
where:
bonds (distance) C4'-P energy: -62.138
bonds (distance) P-C4' energy: -70.002
flat angles C4'-P-C4' energy: -53.955
flat angles P-C4'-P energy: -36.717
tors. eta vs tors. theta energy: -5.471
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 86
Temperature: 1.300000
Total energy: -279.479146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.479146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.479146 (E_RNA)
where:
Base-Base interactions energy: -94.141
where: short stacking energy: -64.547
Base-Backbone interact. energy: 1.345
local terms energy: -186.683311
where:
bonds (distance) C4'-P energy: -65.566
bonds (distance) P-C4' energy: -57.787
flat angles C4'-P-C4' energy: -55.487
flat angles P-C4'-P energy: -15.478
tors. eta vs tors. theta energy: 7.635
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 86
Temperature: 1.350000
Total energy: -282.776495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.776495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.776495 (E_RNA)
where:
Base-Base interactions energy: -112.080
where: short stacking energy: -73.358
Base-Backbone interact. energy: 0.674
local terms energy: -171.370529
where:
bonds (distance) C4'-P energy: -58.997
bonds (distance) P-C4' energy: -55.046
flat angles C4'-P-C4' energy: -42.762
flat angles P-C4'-P energy: -25.830
tors. eta vs tors. theta energy: 11.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 87
Temperature: 0.900000
Total energy: -1064.825207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1064.825207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1064.825207 (E_RNA)
where:
Base-Base interactions energy: -693.470
where: short stacking energy: -313.094
Base-Backbone interact. energy: 2.901
local terms energy: -374.255776
where:
bonds (distance) C4'-P energy: -69.140
bonds (distance) P-C4' energy: -75.429
flat angles C4'-P-C4' energy: -74.579
flat angles P-C4'-P energy: -48.050
tors. eta vs tors. theta energy: -107.058
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: 1
=====================================
Write number: 87
Temperature: 0.950000
Total energy: -977.438317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -977.438317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -977.438317 (E_RNA)
where:
Base-Base interactions energy: -632.020
where: short stacking energy: -279.976
Base-Backbone interact. energy: -1.574
local terms energy: -343.844374
where:
bonds (distance) C4'-P energy: -63.334
bonds (distance) P-C4' energy: -71.069
flat angles C4'-P-C4' energy: -69.812
flat angles P-C4'-P energy: -49.459
tors. eta vs tors. theta energy: -90.170
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 87
Temperature: 1.000000
Total energy: -946.128298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -946.128298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -946.128298 (E_RNA)
where:
Base-Base interactions energy: -621.401
where: short stacking energy: -269.567
Base-Backbone interact. energy: -2.082
local terms energy: -322.645647
where:
bonds (distance) C4'-P energy: -60.439
bonds (distance) P-C4' energy: -69.970
flat angles C4'-P-C4' energy: -65.954
flat angles P-C4'-P energy: -49.985
tors. eta vs tors. theta energy: -76.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 87
Temperature: 1.050000
Total energy: -815.837268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -815.837268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -815.837268 (E_RNA)
where:
Base-Base interactions energy: -514.892
where: short stacking energy: -227.796
Base-Backbone interact. energy: -0.797
local terms energy: -300.148346
where:
bonds (distance) C4'-P energy: -54.762
bonds (distance) P-C4' energy: -66.787
flat angles C4'-P-C4' energy: -66.551
flat angles P-C4'-P energy: -50.076
tors. eta vs tors. theta energy: -61.972
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: 2
=====================================
Write number: 87
Temperature: 1.100000
Total energy: -643.122431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -643.122431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -643.122431 (E_RNA)
where:
Base-Base interactions energy: -385.988
where: short stacking energy: -176.074
Base-Backbone interact. energy: -0.113
local terms energy: -257.021498
where:
bonds (distance) C4'-P energy: -55.826
bonds (distance) P-C4' energy: -57.414
flat angles C4'-P-C4' energy: -67.542
flat angles P-C4'-P energy: -40.227
tors. eta vs tors. theta energy: -36.013
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: 6
=====================================
Write number: 87
Temperature: 1.150000
Total energy: -415.392420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -415.392420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -415.392420 (E_RNA)
where:
Base-Base interactions energy: -202.163
where: short stacking energy: -115.297
Base-Backbone interact. energy: 3.309
local terms energy: -216.538647
where:
bonds (distance) C4'-P energy: -56.936
bonds (distance) P-C4' energy: -70.113
flat angles C4'-P-C4' energy: -49.817
flat angles P-C4'-P energy: -40.912
tors. eta vs tors. theta energy: 1.240
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 87
Temperature: 1.200000
Total energy: -325.948692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.948692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.948692 (E_RNA)
where:
Base-Base interactions energy: -103.657
where: short stacking energy: -74.030
Base-Backbone interact. energy: -2.578
local terms energy: -219.713805
where:
bonds (distance) C4'-P energy: -58.469
bonds (distance) P-C4' energy: -74.721
flat angles C4'-P-C4' energy: -44.224
flat angles P-C4'-P energy: -44.134
tors. eta vs tors. theta energy: 1.833
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: 7
=====================================
Write number: 87
Temperature: 1.250000
Total energy: -318.961498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.961498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.961498 (E_RNA)
where:
Base-Base interactions energy: -113.805
where: short stacking energy: -76.012
Base-Backbone interact. energy: -0.632
local terms energy: -204.524673
where:
bonds (distance) C4'-P energy: -65.041
bonds (distance) P-C4' energy: -63.679
flat angles C4'-P-C4' energy: -47.159
flat angles P-C4'-P energy: -30.679
tors. eta vs tors. theta energy: 2.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 87
Temperature: 1.300000
Total energy: -292.181483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.181483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.181483 (E_RNA)
where:
Base-Base interactions energy: -91.350
where: short stacking energy: -77.031
Base-Backbone interact. energy: -1.104
local terms energy: -199.727779
where:
bonds (distance) C4'-P energy: -58.941
bonds (distance) P-C4' energy: -54.763
flat angles C4'-P-C4' energy: -40.062
flat angles P-C4'-P energy: -41.114
tors. eta vs tors. theta energy: -4.847
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: 87
Temperature: 1.350000
Total energy: -300.238201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.238201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.238201 (E_RNA)
where:
Base-Base interactions energy: -113.633
where: short stacking energy: -83.622
Base-Backbone interact. energy: 0.884
local terms energy: -187.489444
where:
bonds (distance) C4'-P energy: -55.295
bonds (distance) P-C4' energy: -54.517
flat angles C4'-P-C4' energy: -50.189
flat angles P-C4'-P energy: -25.211
tors. eta vs tors. theta energy: -2.277
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: 4
=====================================
Write number: 88
Temperature: 0.900000
Total energy: -1066.524591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1066.524591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1066.524591 (E_RNA)
where:
Base-Base interactions energy: -700.204
where: short stacking energy: -319.263
Base-Backbone interact. energy: 4.912
local terms energy: -371.232541
where:
bonds (distance) C4'-P energy: -65.798
bonds (distance) P-C4' energy: -75.481
flat angles C4'-P-C4' energy: -71.914
flat angles P-C4'-P energy: -52.679
tors. eta vs tors. theta energy: -105.360
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 88
Temperature: 0.950000
Total energy: -968.222945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -968.222945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -968.222945 (E_RNA)
where:
Base-Base interactions energy: -625.657
where: short stacking energy: -312.299
Base-Backbone interact. energy: -1.515
local terms energy: -341.051345
where:
bonds (distance) C4'-P energy: -72.521
bonds (distance) P-C4' energy: -65.940
flat angles C4'-P-C4' energy: -67.096
flat angles P-C4'-P energy: -48.600
tors. eta vs tors. theta energy: -86.895
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: 88
Temperature: 1.000000
Total energy: -926.419376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -926.419376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -926.419376 (E_RNA)
where:
Base-Base interactions energy: -616.004
where: short stacking energy: -274.427
Base-Backbone interact. energy: 0.380
local terms energy: -310.794980
where:
bonds (distance) C4'-P energy: -50.400
bonds (distance) P-C4' energy: -65.695
flat angles C4'-P-C4' energy: -72.824
flat angles P-C4'-P energy: -49.137
tors. eta vs tors. theta energy: -72.740
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: 5
=====================================
Write number: 88
Temperature: 1.050000
Total energy: -878.532184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -878.532184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -878.532184 (E_RNA)
where:
Base-Base interactions energy: -573.106
where: short stacking energy: -236.710
Base-Backbone interact. energy: -1.072
local terms energy: -304.354450
where:
bonds (distance) C4'-P energy: -56.765
bonds (distance) P-C4' energy: -63.286
flat angles C4'-P-C4' energy: -65.074
flat angles P-C4'-P energy: -43.407
tors. eta vs tors. theta energy: -75.822
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 88
Temperature: 1.100000
Total energy: -671.667588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -671.667588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -671.667588 (E_RNA)
where:
Base-Base interactions energy: -384.271
where: short stacking energy: -183.582
Base-Backbone interact. energy: 0.246
local terms energy: -287.642191
where:
bonds (distance) C4'-P energy: -71.768
bonds (distance) P-C4' energy: -69.226
flat angles C4'-P-C4' energy: -61.791
flat angles P-C4'-P energy: -39.858
tors. eta vs tors. theta energy: -44.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 88
Temperature: 1.150000
Total energy: -441.447495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -441.447495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -441.447495 (E_RNA)
where:
Base-Base interactions energy: -223.089
where: short stacking energy: -120.351
Base-Backbone interact. energy: 2.917
local terms energy: -221.275855
where:
bonds (distance) C4'-P energy: -56.059
bonds (distance) P-C4' energy: -66.024
flat angles C4'-P-C4' energy: -59.436
flat angles P-C4'-P energy: -30.434
tors. eta vs tors. theta energy: -9.324
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: 7
=====================================
Write number: 88
Temperature: 1.200000
Total energy: -344.614095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.614095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.614095 (E_RNA)
where:
Base-Base interactions energy: -166.508
where: short stacking energy: -105.282
Base-Backbone interact. energy: 0.996
local terms energy: -179.101575
where:
bonds (distance) C4'-P energy: -63.569
bonds (distance) P-C4' energy: -51.983
flat angles C4'-P-C4' energy: -53.213
flat angles P-C4'-P energy: -28.475
tors. eta vs tors. theta energy: 18.139
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: 9
=====================================
Write number: 88
Temperature: 1.250000
Total energy: -335.815248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.815248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.815248 (E_RNA)
where:
Base-Base interactions energy: -115.814
where: short stacking energy: -103.124
Base-Backbone interact. energy: 0.816
local terms energy: -220.817128
where:
bonds (distance) C4'-P energy: -54.692
bonds (distance) P-C4' energy: -67.383
flat angles C4'-P-C4' energy: -62.052
flat angles P-C4'-P energy: -28.899
tors. eta vs tors. theta energy: -7.791
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: 8
=====================================
Write number: 88
Temperature: 1.300000
Total energy: -304.551474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.551474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.551474 (E_RNA)
where:
Base-Base interactions energy: -89.520
where: short stacking energy: -66.523
Base-Backbone interact. energy: -2.119
local terms energy: -212.913189
where:
bonds (distance) C4'-P energy: -67.351
bonds (distance) P-C4' energy: -56.451
flat angles C4'-P-C4' energy: -55.314
flat angles P-C4'-P energy: -40.979
tors. eta vs tors. theta energy: 7.182
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 88
Temperature: 1.350000
Total energy: -264.465126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.465126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.465126 (E_RNA)
where:
Base-Base interactions energy: -99.207
where: short stacking energy: -65.142
Base-Backbone interact. energy: 1.147
local terms energy: -166.405272
where:
bonds (distance) C4'-P energy: -53.160
bonds (distance) P-C4' energy: -51.963
flat angles C4'-P-C4' energy: -52.046
flat angles P-C4'-P energy: -25.653
tors. eta vs tors. theta energy: 16.417
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: 4
=====================================
Write number: 89
Temperature: 0.900000
Total energy: -1062.321684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1062.321684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1062.321684 (E_RNA)
where:
Base-Base interactions energy: -706.422
where: short stacking energy: -321.707
Base-Backbone interact. energy: -0.337
local terms energy: -355.562729
where:
bonds (distance) C4'-P energy: -62.632
bonds (distance) P-C4' energy: -75.019
flat angles C4'-P-C4' energy: -69.625
flat angles P-C4'-P energy: -48.125
tors. eta vs tors. theta energy: -100.162
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 89
Temperature: 0.950000
Total energy: -942.029757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -942.029757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -942.029757 (E_RNA)
where:
Base-Base interactions energy: -626.905
where: short stacking energy: -275.449
Base-Backbone interact. energy: -2.907
local terms energy: -312.218692
where:
bonds (distance) C4'-P energy: -59.434
bonds (distance) P-C4' energy: -66.887
flat angles C4'-P-C4' energy: -67.553
flat angles P-C4'-P energy: -41.894
tors. eta vs tors. theta energy: -76.451
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 89
Temperature: 1.000000
Total energy: -907.342817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -907.342817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -907.342817 (E_RNA)
where:
Base-Base interactions energy: -579.943
where: short stacking energy: -269.718
Base-Backbone interact. energy: -2.777
local terms energy: -324.623353
where:
bonds (distance) C4'-P energy: -63.155
bonds (distance) P-C4' energy: -68.639
flat angles C4'-P-C4' energy: -71.975
flat angles P-C4'-P energy: -36.761
tors. eta vs tors. theta energy: -84.093
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 89
Temperature: 1.050000
Total energy: -838.849729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -838.849729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -838.849729 (E_RNA)
where:
Base-Base interactions energy: -533.098
where: short stacking energy: -233.625
Base-Backbone interact. energy: -1.629
local terms energy: -304.123048
where:
bonds (distance) C4'-P energy: -59.057
bonds (distance) P-C4' energy: -64.422
flat angles C4'-P-C4' energy: -68.765
flat angles P-C4'-P energy: -48.989
tors. eta vs tors. theta energy: -62.889
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 89
Temperature: 1.100000
Total energy: -628.992701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -628.992701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -628.992701 (E_RNA)
where:
Base-Base interactions energy: -358.343
where: short stacking energy: -183.017
Base-Backbone interact. energy: -2.066
local terms energy: -268.583531
where:
bonds (distance) C4'-P energy: -58.257
bonds (distance) P-C4' energy: -64.713
flat angles C4'-P-C4' energy: -73.020
flat angles P-C4'-P energy: -48.146
tors. eta vs tors. theta energy: -24.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 89
Temperature: 1.150000
Total energy: -456.122278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -456.122278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -456.122278 (E_RNA)
where:
Base-Base interactions energy: -196.925
where: short stacking energy: -130.259
Base-Backbone interact. energy: -0.718
local terms energy: -258.479858
where:
bonds (distance) C4'-P energy: -65.475
bonds (distance) P-C4' energy: -79.474
flat angles C4'-P-C4' energy: -60.216
flat angles P-C4'-P energy: -30.716
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: 7, replica: 7
=====================================
Write number: 89
Temperature: 1.200000
Total energy: -318.762010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.762010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.762010 (E_RNA)
where:
Base-Base interactions energy: -94.057
where: short stacking energy: -79.949
Base-Backbone interact. energy: -0.870
local terms energy: -223.835216
where:
bonds (distance) C4'-P energy: -65.238
bonds (distance) P-C4' energy: -59.351
flat angles C4'-P-C4' energy: -56.494
flat angles P-C4'-P energy: -39.895
tors. eta vs tors. theta energy: -2.858
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 89
Temperature: 1.250000
Total energy: -330.028572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.028572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.028572 (E_RNA)
where:
Base-Base interactions energy: -116.129
where: short stacking energy: -92.054
Base-Backbone interact. energy: 7.767
local terms energy: -221.666916
where:
bonds (distance) C4'-P energy: -46.151
bonds (distance) P-C4' energy: -68.651
flat angles C4'-P-C4' energy: -63.613
flat angles P-C4'-P energy: -34.879
tors. eta vs tors. theta energy: -8.373
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: 8
=====================================
Write number: 89
Temperature: 1.300000
Total energy: -291.725742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.725742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.725742 (E_RNA)
where:
Base-Base interactions energy: -97.906
where: short stacking energy: -94.830
Base-Backbone interact. energy: 0.404
local terms energy: -194.223962
where:
bonds (distance) C4'-P energy: -53.640
bonds (distance) P-C4' energy: -58.887
flat angles C4'-P-C4' energy: -48.414
flat angles P-C4'-P energy: -33.248
tors. eta vs tors. theta energy: -0.035
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 89
Temperature: 1.350000
Total energy: -262.242068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.242068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.242068 (E_RNA)
where:
Base-Base interactions energy: -82.497
where: short stacking energy: -69.447
Base-Backbone interact. energy: 0.254
local terms energy: -179.999579
where:
bonds (distance) C4'-P energy: -45.029
bonds (distance) P-C4' energy: -62.883
flat angles C4'-P-C4' energy: -50.788
flat angles P-C4'-P energy: -27.035
tors. eta vs tors. theta energy: 5.736
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: 4
=====================================
Write number: 90
Temperature: 0.900000
Total energy: -1056.640210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1056.640210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1056.640210 (E_RNA)
where:
Base-Base interactions energy: -688.891
where: short stacking energy: -324.767
Base-Backbone interact. energy: -0.072
local terms energy: -367.676838
where:
bonds (distance) C4'-P energy: -58.983
bonds (distance) P-C4' energy: -70.656
flat angles C4'-P-C4' energy: -79.538
flat angles P-C4'-P energy: -50.495
tors. eta vs tors. theta energy: -108.006
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 90
Temperature: 0.950000
Total energy: -988.943670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -988.943670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -988.943670 (E_RNA)
where:
Base-Base interactions energy: -622.409
where: short stacking energy: -281.980
Base-Backbone interact. energy: -3.116
local terms energy: -363.419144
where:
bonds (distance) C4'-P energy: -70.422
bonds (distance) P-C4' energy: -77.809
flat angles C4'-P-C4' energy: -76.707
flat angles P-C4'-P energy: -53.655
tors. eta vs tors. theta energy: -84.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 90
Temperature: 1.000000
Total energy: -946.011545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -946.011545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -946.011545 (E_RNA)
where:
Base-Base interactions energy: -626.673
where: short stacking energy: -273.993
Base-Backbone interact. energy: -0.583
local terms energy: -318.755033
where:
bonds (distance) C4'-P energy: -66.628
bonds (distance) P-C4' energy: -62.721
flat angles C4'-P-C4' energy: -68.176
flat angles P-C4'-P energy: -42.658
tors. eta vs tors. theta energy: -78.572
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: 5
=====================================
Write number: 90
Temperature: 1.050000
Total energy: -827.278680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -827.278680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -827.278680 (E_RNA)
where:
Base-Base interactions energy: -524.066
where: short stacking energy: -255.392
Base-Backbone interact. energy: 1.141
local terms energy: -304.353808
where:
bonds (distance) C4'-P energy: -66.967
bonds (distance) P-C4' energy: -58.974
flat angles C4'-P-C4' energy: -60.444
flat angles P-C4'-P energy: -46.241
tors. eta vs tors. theta energy: -71.729
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: 2
=====================================
Write number: 90
Temperature: 1.100000
Total energy: -604.027114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -604.027114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -604.027114 (E_RNA)
where:
Base-Base interactions energy: -345.889
where: short stacking energy: -167.839
Base-Backbone interact. energy: 3.119
local terms energy: -261.256845
where:
bonds (distance) C4'-P energy: -53.188
bonds (distance) P-C4' energy: -71.026
flat angles C4'-P-C4' energy: -66.318
flat angles P-C4'-P energy: -42.456
tors. eta vs tors. theta energy: -28.268
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: 6, replica: 6
=====================================
Write number: 90
Temperature: 1.150000
Total energy: -447.165853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -447.165853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -447.165853 (E_RNA)
where:
Base-Base interactions energy: -234.419
where: short stacking energy: -129.948
Base-Backbone interact. energy: 0.479
local terms energy: -213.226495
where:
bonds (distance) C4'-P energy: -59.186
bonds (distance) P-C4' energy: -47.531
flat angles C4'-P-C4' energy: -62.742
flat angles P-C4'-P energy: -31.286
tors. eta vs tors. theta energy: -12.482
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 90
Temperature: 1.200000
Total energy: -349.272017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.272017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.272017 (E_RNA)
where:
Base-Base interactions energy: -137.835
where: short stacking energy: -99.357
Base-Backbone interact. energy: 0.984
local terms energy: -212.421532
where:
bonds (distance) C4'-P energy: -56.934
bonds (distance) P-C4' energy: -72.511
flat angles C4'-P-C4' energy: -44.705
flat angles P-C4'-P energy: -35.536
tors. eta vs tors. theta energy: -2.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 90
Temperature: 1.250000
Total energy: -316.372497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.372497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.372497 (E_RNA)
where:
Base-Base interactions energy: -101.635
where: short stacking energy: -79.105
Base-Backbone interact. energy: -1.435
local terms energy: -213.302446
where:
bonds (distance) C4'-P energy: -55.328
bonds (distance) P-C4' energy: -74.428
flat angles C4'-P-C4' energy: -54.798
flat angles P-C4'-P energy: -30.504
tors. eta vs tors. theta energy: 1.754
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 90
Temperature: 1.300000
Total energy: -292.382713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.382713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.382713 (E_RNA)
where:
Base-Base interactions energy: -94.474
where: short stacking energy: -72.222
Base-Backbone interact. energy: -0.827
local terms energy: -197.081702
where:
bonds (distance) C4'-P energy: -44.992
bonds (distance) P-C4' energy: -60.929
flat angles C4'-P-C4' energy: -59.297
flat angles P-C4'-P energy: -30.874
tors. eta vs tors. theta energy: -0.990
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 90
Temperature: 1.350000
Total energy: -277.872974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.872974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.872974 (E_RNA)
where:
Base-Base interactions energy: -97.931
where: short stacking energy: -76.071
Base-Backbone interact. energy: 2.235
local terms energy: -182.177222
where:
bonds (distance) C4'-P energy: -64.288
bonds (distance) P-C4' energy: -65.210
flat angles C4'-P-C4' energy: -48.687
flat angles P-C4'-P energy: -11.830
tors. eta vs tors. theta energy: 7.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 91
Temperature: 0.900000
Total energy: -1076.093816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1076.093816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1076.093816 (E_RNA)
where:
Base-Base interactions energy: -716.464
where: short stacking energy: -328.796
Base-Backbone interact. energy: -0.293
local terms energy: -359.337236
where:
bonds (distance) C4'-P energy: -63.682
bonds (distance) P-C4' energy: -68.755
flat angles C4'-P-C4' energy: -75.943
flat angles P-C4'-P energy: -49.065
tors. eta vs tors. theta energy: -101.892
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: 3
=====================================
Write number: 91
Temperature: 0.950000
Total energy: -963.739706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -963.739706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -963.739706 (E_RNA)
where:
Base-Base interactions energy: -621.283
where: short stacking energy: -284.218
Base-Backbone interact. energy: -4.805
local terms energy: -337.650851
where:
bonds (distance) C4'-P energy: -64.126
bonds (distance) P-C4' energy: -68.142
flat angles C4'-P-C4' energy: -66.302
flat angles P-C4'-P energy: -59.415
tors. eta vs tors. theta energy: -79.665
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: 1
=====================================
Write number: 91
Temperature: 1.000000
Total energy: -916.755030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -916.755030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -916.755030 (E_RNA)
where:
Base-Base interactions energy: -592.841
where: short stacking energy: -262.711
Base-Backbone interact. energy: -1.159
local terms energy: -322.754353
where:
bonds (distance) C4'-P energy: -55.372
bonds (distance) P-C4' energy: -66.185
flat angles C4'-P-C4' energy: -71.150
flat angles P-C4'-P energy: -44.133
tors. eta vs tors. theta energy: -85.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 91
Temperature: 1.050000
Total energy: -790.533026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -790.533026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -790.533026 (E_RNA)
where:
Base-Base interactions energy: -481.971
where: short stacking energy: -234.318
Base-Backbone interact. energy: 0.096
local terms energy: -308.658478
where:
bonds (distance) C4'-P energy: -69.475
bonds (distance) P-C4' energy: -69.816
flat angles C4'-P-C4' energy: -63.443
flat angles P-C4'-P energy: -49.406
tors. eta vs tors. theta energy: -56.518
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 91
Temperature: 1.100000
Total energy: -561.848024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -561.848024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -561.848024 (E_RNA)
where:
Base-Base interactions energy: -308.028
where: short stacking energy: -161.479
Base-Backbone interact. energy: -0.205
local terms energy: -253.615008
where:
bonds (distance) C4'-P energy: -62.660
bonds (distance) P-C4' energy: -57.213
flat angles C4'-P-C4' energy: -66.556
flat angles P-C4'-P energy: -50.105
tors. eta vs tors. theta energy: -17.082
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 91
Temperature: 1.150000
Total energy: -457.267372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -457.267372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -457.267372 (E_RNA)
where:
Base-Base interactions energy: -220.040
where: short stacking energy: -121.593
Base-Backbone interact. energy: -1.527
local terms energy: -235.699716
where:
bonds (distance) C4'-P energy: -47.690
bonds (distance) P-C4' energy: -76.453
flat angles C4'-P-C4' energy: -57.844
flat angles P-C4'-P energy: -34.075
tors. eta vs tors. theta energy: -19.638
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 91
Temperature: 1.200000
Total energy: -351.612358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.612358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.612358 (E_RNA)
where:
Base-Base interactions energy: -129.677
where: short stacking energy: -64.917
Base-Backbone interact. energy: -0.909
local terms energy: -221.025819
where:
bonds (distance) C4'-P energy: -69.285
bonds (distance) P-C4' energy: -71.534
flat angles C4'-P-C4' energy: -53.557
flat angles P-C4'-P energy: -33.347
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: 8, replica: 7
=====================================
Write number: 91
Temperature: 1.250000
Total energy: -334.540933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.540933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.540933 (E_RNA)
where:
Base-Base interactions energy: -147.838
where: short stacking energy: -121.397
Base-Backbone interact. energy: -1.365
local terms energy: -185.338054
where:
bonds (distance) C4'-P energy: -48.423
bonds (distance) P-C4' energy: -53.340
flat angles C4'-P-C4' energy: -55.439
flat angles P-C4'-P energy: -24.797
tors. eta vs tors. theta energy: -3.339
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: 10
=====================================
Write number: 91
Temperature: 1.300000
Total energy: -279.169057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.169057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.169057 (E_RNA)
where:
Base-Base interactions energy: -88.688
where: short stacking energy: -73.975
Base-Backbone interact. energy: -1.474
local terms energy: -189.006454
where:
bonds (distance) C4'-P energy: -65.148
bonds (distance) P-C4' energy: -61.136
flat angles C4'-P-C4' energy: -41.783
flat angles P-C4'-P energy: -28.754
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: 10, replica: 8
=====================================
Write number: 91
Temperature: 1.350000
Total energy: -268.263495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.263495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.263495 (E_RNA)
where:
Base-Base interactions energy: -74.537
where: short stacking energy: -57.411
Base-Backbone interact. energy: -0.289
local terms energy: -193.437483
where:
bonds (distance) C4'-P energy: -48.545
bonds (distance) P-C4' energy: -69.815
flat angles C4'-P-C4' energy: -56.844
flat angles P-C4'-P energy: -25.174
tors. eta vs tors. theta energy: 6.940
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: 1, replica: 4
=====================================
Write number: 92
Temperature: 0.900000
Total energy: -1077.466988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1077.466988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1077.466988 (E_RNA)
where:
Base-Base interactions energy: -706.377
where: short stacking energy: -335.255
Base-Backbone interact. energy: -0.823
local terms energy: -370.267048
where:
bonds (distance) C4'-P energy: -68.133
bonds (distance) P-C4' energy: -65.987
flat angles C4'-P-C4' energy: -73.213
flat angles P-C4'-P energy: -44.590
tors. eta vs tors. theta energy: -118.344
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: 3
=====================================
Write number: 92
Temperature: 0.950000
Total energy: -1009.870098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1009.870098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1009.870098 (E_RNA)
where:
Base-Base interactions energy: -667.486
where: short stacking energy: -286.127
Base-Backbone interact. energy: -5.187
local terms energy: -337.197525
where:
bonds (distance) C4'-P energy: -70.387
bonds (distance) P-C4' energy: -65.957
flat angles C4'-P-C4' energy: -76.132
flat angles P-C4'-P energy: -40.242
tors. eta vs tors. theta energy: -84.479
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 92
Temperature: 1.000000
Total energy: -916.431153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -916.431153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -916.431153 (E_RNA)
where:
Base-Base interactions energy: -580.470
where: short stacking energy: -291.637
Base-Backbone interact. energy: -3.232
local terms energy: -332.729492
where:
bonds (distance) C4'-P energy: -64.286
bonds (distance) P-C4' energy: -59.879
flat angles C4'-P-C4' energy: -79.911
flat angles P-C4'-P energy: -35.969
tors. eta vs tors. theta energy: -92.684
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 92
Temperature: 1.050000
Total energy: -800.884356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -800.884356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -800.884356 (E_RNA)
where:
Base-Base interactions energy: -504.523
where: short stacking energy: -242.270
Base-Backbone interact. energy: -0.270
local terms energy: -296.092103
where:
bonds (distance) C4'-P energy: -58.861
bonds (distance) P-C4' energy: -67.886
flat angles C4'-P-C4' energy: -64.497
flat angles P-C4'-P energy: -45.821
tors. eta vs tors. theta energy: -59.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 92
Temperature: 1.100000
Total energy: -541.710828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.710828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.710828 (E_RNA)
where:
Base-Base interactions energy: -292.521
where: short stacking energy: -180.512
Base-Backbone interact. energy: -0.495
local terms energy: -248.694732
where:
bonds (distance) C4'-P energy: -63.690
bonds (distance) P-C4' energy: -53.564
flat angles C4'-P-C4' energy: -57.358
flat angles P-C4'-P energy: -39.687
tors. eta vs tors. theta energy: -34.395
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 92
Temperature: 1.150000
Total energy: -475.735352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -475.735352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -475.735352 (E_RNA)
where:
Base-Base interactions energy: -233.193
where: short stacking energy: -133.463
Base-Backbone interact. energy: 0.406
local terms energy: -242.948244
where:
bonds (distance) C4'-P energy: -59.038
bonds (distance) P-C4' energy: -75.340
flat angles C4'-P-C4' energy: -62.189
flat angles P-C4'-P energy: -26.540
tors. eta vs tors. theta energy: -19.842
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: 7
=====================================
Write number: 92
Temperature: 1.200000
Total energy: -336.031018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.031018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.031018 (E_RNA)
where:
Base-Base interactions energy: -118.553
where: short stacking energy: -94.589
Base-Backbone interact. energy: 2.935
local terms energy: -220.412708
where:
bonds (distance) C4'-P energy: -67.497
bonds (distance) P-C4' energy: -54.729
flat angles C4'-P-C4' energy: -63.509
flat angles P-C4'-P energy: -33.925
tors. eta vs tors. theta energy: -0.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 92
Temperature: 1.250000
Total energy: -328.127491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.127491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.127491 (E_RNA)
where:
Base-Base interactions energy: -127.200
where: short stacking energy: -77.847
Base-Backbone interact. energy: -3.145
local terms energy: -197.782353
where:
bonds (distance) C4'-P energy: -62.261
bonds (distance) P-C4' energy: -71.344
flat angles C4'-P-C4' energy: -50.862
flat angles P-C4'-P energy: -24.857
tors. eta vs tors. theta energy: 11.542
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 92
Temperature: 1.300000
Total energy: -289.833378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.833378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.833378 (E_RNA)
where:
Base-Base interactions energy: -86.145
where: short stacking energy: -77.887
Base-Backbone interact. energy: -1.129
local terms energy: -202.559830
where:
bonds (distance) C4'-P energy: -47.877
bonds (distance) P-C4' energy: -65.131
flat angles C4'-P-C4' energy: -43.188
flat angles P-C4'-P energy: -35.959
tors. eta vs tors. theta energy: -10.405
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: 10, replica: 10
=====================================
Write number: 92
Temperature: 1.350000
Total energy: -268.297983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.297983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.297983 (E_RNA)
where:
Base-Base interactions energy: -92.443
where: short stacking energy: -77.205
Base-Backbone interact. energy: -2.075
local terms energy: -173.780770
where:
bonds (distance) C4'-P energy: -44.089
bonds (distance) P-C4' energy: -54.431
flat angles C4'-P-C4' energy: -55.354
flat angles P-C4'-P energy: -26.672
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: 1, replica: 4
=====================================
Write number: 93
Temperature: 0.900000
Total energy: -1069.453232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1069.453232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1069.453232 (E_RNA)
where:
Base-Base interactions energy: -685.668
where: short stacking energy: -323.778
Base-Backbone interact. energy: -0.667
local terms energy: -383.118666
where:
bonds (distance) C4'-P energy: -76.290
bonds (distance) P-C4' energy: -71.277
flat angles C4'-P-C4' energy: -71.206
flat angles P-C4'-P energy: -46.091
tors. eta vs tors. theta energy: -118.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 93
Temperature: 0.950000
Total energy: -989.231091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -989.231091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -989.231091 (E_RNA)
where:
Base-Base interactions energy: -664.359
where: short stacking energy: -267.210
Base-Backbone interact. energy: 0.988
local terms energy: -325.859890
where:
bonds (distance) C4'-P energy: -63.124
bonds (distance) P-C4' energy: -65.337
flat angles C4'-P-C4' energy: -73.319
flat angles P-C4'-P energy: -46.226
tors. eta vs tors. theta energy: -77.853
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 93
Temperature: 1.000000
Total energy: -948.821136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -948.821136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -948.821136 (E_RNA)
where:
Base-Base interactions energy: -614.556
where: short stacking energy: -267.164
Base-Backbone interact. energy: -0.829
local terms energy: -333.436244
where:
bonds (distance) C4'-P energy: -55.960
bonds (distance) P-C4' energy: -70.970
flat angles C4'-P-C4' energy: -74.675
flat angles P-C4'-P energy: -43.717
tors. eta vs tors. theta energy: -88.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 93
Temperature: 1.050000
Total energy: -771.725824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -771.725824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -771.725824 (E_RNA)
where:
Base-Base interactions energy: -480.394
where: short stacking energy: -213.584
Base-Backbone interact. energy: -0.368
local terms energy: -290.963230
where:
bonds (distance) C4'-P energy: -59.113
bonds (distance) P-C4' energy: -66.265
flat angles C4'-P-C4' energy: -69.132
flat angles P-C4'-P energy: -39.173
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: 5, replica: 2
=====================================
Write number: 93
Temperature: 1.100000
Total energy: -542.298226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.298226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.298226 (E_RNA)
where:
Base-Base interactions energy: -292.028
where: short stacking energy: -171.086
Base-Backbone interact. energy: 0.473
local terms energy: -250.743775
where:
bonds (distance) C4'-P energy: -65.679
bonds (distance) P-C4' energy: -62.407
flat angles C4'-P-C4' energy: -53.348
flat angles P-C4'-P energy: -35.948
tors. eta vs tors. theta energy: -33.361
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 93
Temperature: 1.150000
Total energy: -508.300855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -508.300855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.300855 (E_RNA)
where:
Base-Base interactions energy: -263.599
where: short stacking energy: -138.036
Base-Backbone interact. energy: -1.023
local terms energy: -243.679295
where:
bonds (distance) C4'-P energy: -66.848
bonds (distance) P-C4' energy: -71.357
flat angles C4'-P-C4' energy: -54.745
flat angles P-C4'-P energy: -34.297
tors. eta vs tors. theta energy: -16.433
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: 7
=====================================
Write number: 93
Temperature: 1.200000
Total energy: -355.253598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.253598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.253598 (E_RNA)
where:
Base-Base interactions energy: -145.353
where: short stacking energy: -111.058
Base-Backbone interact. energy: -1.435
local terms energy: -208.465292
where:
bonds (distance) C4'-P energy: -63.852
bonds (distance) P-C4' energy: -66.781
flat angles C4'-P-C4' energy: -53.105
flat angles P-C4'-P energy: -25.509
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: 8, replica: 9
=====================================
Write number: 93
Temperature: 1.250000
Total energy: -329.364889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.364889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.364889 (E_RNA)
where:
Base-Base interactions energy: -142.614
where: short stacking energy: -114.917
Base-Backbone interact. energy: 2.066
local terms energy: -188.816830
where:
bonds (distance) C4'-P energy: -59.563
bonds (distance) P-C4' energy: -61.324
flat angles C4'-P-C4' energy: -35.383
flat angles P-C4'-P energy: -29.136
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: 9, replica: 8
=====================================
Write number: 93
Temperature: 1.300000
Total energy: -284.471667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.471667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.471667 (E_RNA)
where:
Base-Base interactions energy: -88.733
where: short stacking energy: -79.560
Base-Backbone interact. energy: 0.002
local terms energy: -195.740764
where:
bonds (distance) C4'-P energy: -78.670
bonds (distance) P-C4' energy: -61.404
flat angles C4'-P-C4' energy: -39.370
flat angles P-C4'-P energy: -34.692
tors. eta vs tors. theta energy: 18.396
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: 10
=====================================
Write number: 93
Temperature: 1.350000
Total energy: -263.578194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.578194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.578194 (E_RNA)
where:
Base-Base interactions energy: -79.196
where: short stacking energy: -65.810
Base-Backbone interact. energy: 1.844
local terms energy: -186.227070
where:
bonds (distance) C4'-P energy: -53.741
bonds (distance) P-C4' energy: -59.126
flat angles C4'-P-C4' energy: -55.313
flat angles P-C4'-P energy: -35.455
tors. eta vs tors. theta energy: 17.408
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 94
Temperature: 0.900000
Total energy: -1074.720994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1074.720994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1074.720994 (E_RNA)
where:
Base-Base interactions energy: -714.105
where: short stacking energy: -321.703
Base-Backbone interact. energy: -1.008
local terms energy: -359.608231
where:
bonds (distance) C4'-P energy: -65.380
bonds (distance) P-C4' energy: -70.576
flat angles C4'-P-C4' energy: -68.381
flat angles P-C4'-P energy: -49.667
tors. eta vs tors. theta energy: -105.604
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 94
Temperature: 0.950000
Total energy: -998.326167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -998.326167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -998.326167 (E_RNA)
where:
Base-Base interactions energy: -656.655
where: short stacking energy: -283.734
Base-Backbone interact. energy: -4.716
local terms energy: -336.955116
where:
bonds (distance) C4'-P energy: -58.625
bonds (distance) P-C4' energy: -70.559
flat angles C4'-P-C4' energy: -73.539
flat angles P-C4'-P energy: -51.842
tors. eta vs tors. theta energy: -82.390
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: 1
=====================================
Write number: 94
Temperature: 1.000000
Total energy: -949.164038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -949.164038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -949.164038 (E_RNA)
where:
Base-Base interactions energy: -618.900
where: short stacking energy: -278.352
Base-Backbone interact. energy: -1.578
local terms energy: -328.686258
where:
bonds (distance) C4'-P energy: -56.540
bonds (distance) P-C4' energy: -59.045
flat angles C4'-P-C4' energy: -71.453
flat angles P-C4'-P energy: -51.919
tors. eta vs tors. theta energy: -89.730
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 94
Temperature: 1.050000
Total energy: -810.429698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -810.429698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -810.429698 (E_RNA)
where:
Base-Base interactions energy: -499.829
where: short stacking energy: -223.548
Base-Backbone interact. energy: 0.337
local terms energy: -310.937441
where:
bonds (distance) C4'-P energy: -69.273
bonds (distance) P-C4' energy: -70.801
flat angles C4'-P-C4' energy: -62.728
flat angles P-C4'-P energy: -40.661
tors. eta vs tors. theta energy: -67.473
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 94
Temperature: 1.100000
Total energy: -582.080852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -582.080852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -582.080852 (E_RNA)
where:
Base-Base interactions energy: -325.998
where: short stacking energy: -184.435
Base-Backbone interact. energy: -0.343
local terms energy: -255.740065
where:
bonds (distance) C4'-P energy: -46.440
bonds (distance) P-C4' energy: -64.045
flat angles C4'-P-C4' energy: -74.254
flat angles P-C4'-P energy: -38.597
tors. eta vs tors. theta energy: -32.404
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 94
Temperature: 1.150000
Total energy: -520.830663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.830663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.830663 (E_RNA)
where:
Base-Base interactions energy: -286.059
where: short stacking energy: -156.462
Base-Backbone interact. energy: -0.773
local terms energy: -233.999133
where:
bonds (distance) C4'-P energy: -43.866
bonds (distance) P-C4' energy: -56.199
flat angles C4'-P-C4' energy: -65.403
flat angles P-C4'-P energy: -46.824
tors. eta vs tors. theta energy: -21.707
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 94
Temperature: 1.200000
Total energy: -345.207906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.207906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.207906 (E_RNA)
where:
Base-Base interactions energy: -128.550
where: short stacking energy: -111.047
Base-Backbone interact. energy: -0.378
local terms energy: -216.280375
where:
bonds (distance) C4'-P energy: -59.891
bonds (distance) P-C4' energy: -46.666
flat angles C4'-P-C4' energy: -60.441
flat angles P-C4'-P energy: -39.718
tors. eta vs tors. theta energy: -9.565
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 94
Temperature: 1.250000
Total energy: -308.945250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.945250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.945250 (E_RNA)
where:
Base-Base interactions energy: -102.309
where: short stacking energy: -87.501
Base-Backbone interact. energy: -0.690
local terms energy: -205.945803
where:
bonds (distance) C4'-P energy: -57.090
bonds (distance) P-C4' energy: -59.342
flat angles C4'-P-C4' energy: -58.161
flat angles P-C4'-P energy: -40.808
tors. eta vs tors. theta energy: 9.455
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: 8
=====================================
Write number: 94
Temperature: 1.300000
Total energy: -310.385527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.385527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.385527 (E_RNA)
where:
Base-Base interactions energy: -101.375
where: short stacking energy: -93.324
Base-Backbone interact. energy: -1.867
local terms energy: -207.143869
where:
bonds (distance) C4'-P energy: -66.321
bonds (distance) P-C4' energy: -68.544
flat angles C4'-P-C4' energy: -43.737
flat angles P-C4'-P energy: -29.716
tors. eta vs tors. theta energy: 1.175
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 94
Temperature: 1.350000
Total energy: -287.209005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.209005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.209005 (E_RNA)
where:
Base-Base interactions energy: -97.537
where: short stacking energy: -84.314
Base-Backbone interact. energy: -0.520
local terms energy: -189.152308
where:
bonds (distance) C4'-P energy: -58.549
bonds (distance) P-C4' energy: -49.684
flat angles C4'-P-C4' energy: -49.502
flat angles P-C4'-P energy: -37.140
tors. eta vs tors. theta energy: 5.723
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 95
Temperature: 0.900000
Total energy: -1047.100257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1047.100257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1047.100257 (E_RNA)
where:
Base-Base interactions energy: -668.481
where: short stacking energy: -310.312
Base-Backbone interact. energy: -1.395
local terms energy: -377.224142
where:
bonds (distance) C4'-P energy: -65.393
bonds (distance) P-C4' energy: -78.319
flat angles C4'-P-C4' energy: -72.256
flat angles P-C4'-P energy: -54.851
tors. eta vs tors. theta energy: -106.406
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: 3
=====================================
Write number: 95
Temperature: 0.950000
Total energy: -998.097016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -998.097016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -998.097016 (E_RNA)
where:
Base-Base interactions energy: -674.320
where: short stacking energy: -301.529
Base-Backbone interact. energy: -1.341
local terms energy: -322.435847
where:
bonds (distance) C4'-P energy: -60.393
bonds (distance) P-C4' energy: -59.673
flat angles C4'-P-C4' energy: -71.333
flat angles P-C4'-P energy: -41.995
tors. eta vs tors. theta energy: -89.042
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 95
Temperature: 1.000000
Total energy: -964.806188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -964.806188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -964.806188 (E_RNA)
where:
Base-Base interactions energy: -631.709
where: short stacking energy: -298.618
Base-Backbone interact. energy: -0.688
local terms energy: -332.408884
where:
bonds (distance) C4'-P energy: -59.563
bonds (distance) P-C4' energy: -66.926
flat angles C4'-P-C4' energy: -73.143
flat angles P-C4'-P energy: -50.212
tors. eta vs tors. theta energy: -82.565
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 95
Temperature: 1.050000
Total energy: -845.876172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -845.876172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -845.876172 (E_RNA)
where:
Base-Base interactions energy: -536.595
where: short stacking energy: -250.068
Base-Backbone interact. energy: 1.387
local terms energy: -310.668317
where:
bonds (distance) C4'-P energy: -63.205
bonds (distance) P-C4' energy: -60.760
flat angles C4'-P-C4' energy: -64.180
flat angles P-C4'-P energy: -40.466
tors. eta vs tors. theta energy: -82.058
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: 2
=====================================
Write number: 95
Temperature: 1.100000
Total energy: -560.308682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -560.308682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -560.308682 (E_RNA)
where:
Base-Base interactions energy: -287.687
where: short stacking energy: -167.553
Base-Backbone interact. energy: -2.585
local terms energy: -270.036920
where:
bonds (distance) C4'-P energy: -60.859
bonds (distance) P-C4' energy: -76.348
flat angles C4'-P-C4' energy: -49.293
flat angles P-C4'-P energy: -44.253
tors. eta vs tors. theta energy: -39.284
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: 6
=====================================
Write number: 95
Temperature: 1.150000
Total energy: -453.923955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -453.923955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -453.923955 (E_RNA)
where:
Base-Base interactions energy: -221.885
where: short stacking energy: -123.933
Base-Backbone interact. energy: -0.848
local terms energy: -231.191206
where:
bonds (distance) C4'-P energy: -59.650
bonds (distance) P-C4' energy: -69.242
flat angles C4'-P-C4' energy: -49.917
flat angles P-C4'-P energy: -40.517
tors. eta vs tors. theta energy: -11.864
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: 7
=====================================
Write number: 95
Temperature: 1.200000
Total energy: -375.939979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -375.939979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -375.939979 (E_RNA)
where:
Base-Base interactions energy: -154.243
where: short stacking energy: -100.583
Base-Backbone interact. energy: -0.820
local terms energy: -220.876059
where:
bonds (distance) C4'-P energy: -51.825
bonds (distance) P-C4' energy: -55.021
flat angles C4'-P-C4' energy: -67.247
flat angles P-C4'-P energy: -34.610
tors. eta vs tors. theta energy: -12.172
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 95
Temperature: 1.250000
Total energy: -331.177737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.177737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.177737 (E_RNA)
where:
Base-Base interactions energy: -131.650
where: short stacking energy: -106.532
Base-Backbone interact. energy: 0.870
local terms energy: -200.397515
where:
bonds (distance) C4'-P energy: -63.026
bonds (distance) P-C4' energy: -55.889
flat angles C4'-P-C4' energy: -56.790
flat angles P-C4'-P energy: -31.287
tors. eta vs tors. theta energy: 6.594
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 95
Temperature: 1.300000
Total energy: -291.622523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.622523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.622523 (E_RNA)
where:
Base-Base interactions energy: -95.722
where: short stacking energy: -64.863
Base-Backbone interact. energy: -2.207
local terms energy: -193.693776
where:
bonds (distance) C4'-P energy: -64.045
bonds (distance) P-C4' energy: -62.124
flat angles C4'-P-C4' energy: -52.858
flat angles P-C4'-P energy: -30.881
tors. eta vs tors. theta energy: 16.214
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 95
Temperature: 1.350000
Total energy: -271.568526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.568526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.568526 (E_RNA)
where:
Base-Base interactions energy: -105.941
where: short stacking energy: -58.846
Base-Backbone interact. energy: -0.660
local terms energy: -164.967225
where:
bonds (distance) C4'-P energy: -47.062
bonds (distance) P-C4' energy: -58.345
flat angles C4'-P-C4' energy: -55.687
flat angles P-C4'-P energy: -23.728
tors. eta vs tors. theta energy: 19.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 96
Temperature: 0.900000
Total energy: -1097.122901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1097.122901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1097.122901 (E_RNA)
where:
Base-Base interactions energy: -724.161
where: short stacking energy: -329.816
Base-Backbone interact. energy: 7.085
local terms energy: -380.047713
where:
bonds (distance) C4'-P energy: -68.615
bonds (distance) P-C4' energy: -63.679
flat angles C4'-P-C4' energy: -75.394
flat angles P-C4'-P energy: -56.737
tors. eta vs tors. theta energy: -115.623
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 96
Temperature: 0.950000
Total energy: -1006.586890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1006.586890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1006.586890 (E_RNA)
where:
Base-Base interactions energy: -675.956
where: short stacking energy: -278.699
Base-Backbone interact. energy: -3.238
local terms energy: -327.393399
where:
bonds (distance) C4'-P energy: -67.189
bonds (distance) P-C4' energy: -66.772
flat angles C4'-P-C4' energy: -69.572
flat angles P-C4'-P energy: -42.363
tors. eta vs tors. theta energy: -81.498
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 96
Temperature: 1.000000
Total energy: -929.938099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -929.938099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -929.938099 (E_RNA)
where:
Base-Base interactions energy: -591.193
where: short stacking energy: -283.508
Base-Backbone interact. energy: -1.021
local terms energy: -337.723852
where:
bonds (distance) C4'-P energy: -54.677
bonds (distance) P-C4' energy: -69.164
flat angles C4'-P-C4' energy: -76.748
flat angles P-C4'-P energy: -47.488
tors. eta vs tors. theta energy: -89.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 96
Temperature: 1.050000
Total energy: -806.607246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -806.607246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -806.607246 (E_RNA)
where:
Base-Base interactions energy: -499.296
where: short stacking energy: -253.455
Base-Backbone interact. energy: 0.435
local terms energy: -307.746146
where:
bonds (distance) C4'-P energy: -63.287
bonds (distance) P-C4' energy: -60.840
flat angles C4'-P-C4' energy: -69.617
flat angles P-C4'-P energy: -41.198
tors. eta vs tors. theta energy: -72.804
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: 2
=====================================
Write number: 96
Temperature: 1.100000
Total energy: -595.699085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -595.699085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -595.699085 (E_RNA)
where:
Base-Base interactions energy: -347.216
where: short stacking energy: -174.756
Base-Backbone interact. energy: 0.153
local terms energy: -248.636744
where:
bonds (distance) C4'-P energy: -61.917
bonds (distance) P-C4' energy: -62.435
flat angles C4'-P-C4' energy: -54.155
flat angles P-C4'-P energy: -33.028
tors. eta vs tors. theta energy: -37.101
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: 96
Temperature: 1.150000
Total energy: -474.418485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -474.418485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -474.418485 (E_RNA)
where:
Base-Base interactions energy: -230.055
where: short stacking energy: -148.512
Base-Backbone interact. energy: -2.051
local terms energy: -242.312214
where:
bonds (distance) C4'-P energy: -58.051
bonds (distance) P-C4' energy: -64.655
flat angles C4'-P-C4' energy: -63.558
flat angles P-C4'-P energy: -34.057
tors. eta vs tors. theta energy: -21.992
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: 7, replica: 7
=====================================
Write number: 96
Temperature: 1.200000
Total energy: -395.456718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -395.456718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -395.456718 (E_RNA)
where:
Base-Base interactions energy: -155.920
where: short stacking energy: -103.288
Base-Backbone interact. energy: -0.302
local terms energy: -239.234413
where:
bonds (distance) C4'-P energy: -62.302
bonds (distance) P-C4' energy: -72.933
flat angles C4'-P-C4' energy: -66.255
flat angles P-C4'-P energy: -28.522
tors. eta vs tors. theta energy: -9.222
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 96
Temperature: 1.250000
Total energy: -309.388020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.388020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.388020 (E_RNA)
where:
Base-Base interactions energy: -99.883
where: short stacking energy: -65.477
Base-Backbone interact. energy: -0.286
local terms energy: -209.219785
where:
bonds (distance) C4'-P energy: -66.830
bonds (distance) P-C4' energy: -66.144
flat angles C4'-P-C4' energy: -44.648
flat angles P-C4'-P energy: -32.982
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: 9, replica: 9
=====================================
Write number: 96
Temperature: 1.300000
Total energy: -295.461515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.461515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.461515 (E_RNA)
where:
Base-Base interactions energy: -100.851
where: short stacking energy: -86.605
Base-Backbone interact. energy: 4.644
local terms energy: -199.254207
where:
bonds (distance) C4'-P energy: -53.036
bonds (distance) P-C4' energy: -58.893
flat angles C4'-P-C4' energy: -51.780
flat angles P-C4'-P energy: -28.347
tors. eta vs tors. theta energy: -7.198
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 96
Temperature: 1.350000
Total energy: -278.652870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.652870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.652870 (E_RNA)
where:
Base-Base interactions energy: -96.859
where: short stacking energy: -68.992
Base-Backbone interact. energy: -0.954
local terms energy: -180.839693
where:
bonds (distance) C4'-P energy: -53.393
bonds (distance) P-C4' energy: -61.369
flat angles C4'-P-C4' energy: -37.295
flat angles P-C4'-P energy: -34.170
tors. eta vs tors. theta energy: 5.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 97
Temperature: 0.900000
Total energy: -1092.028890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1092.028890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1092.028890 (E_RNA)
where:
Base-Base interactions energy: -711.924
where: short stacking energy: -340.556
Base-Backbone interact. energy: 2.279
local terms energy: -382.384207
where:
bonds (distance) C4'-P energy: -74.647
bonds (distance) P-C4' energy: -66.187
flat angles C4'-P-C4' energy: -75.119
flat angles P-C4'-P energy: -51.574
tors. eta vs tors. theta energy: -114.858
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 97
Temperature: 0.950000
Total energy: -1000.205645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1000.205645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1000.205645 (E_RNA)
where:
Base-Base interactions energy: -655.526
where: short stacking energy: -294.793
Base-Backbone interact. energy: -4.346
local terms energy: -340.333478
where:
bonds (distance) C4'-P energy: -68.632
bonds (distance) P-C4' energy: -72.782
flat angles C4'-P-C4' energy: -70.971
flat angles P-C4'-P energy: -45.353
tors. eta vs tors. theta energy: -82.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 97
Temperature: 1.000000
Total energy: -940.275705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -940.275705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -940.275705 (E_RNA)
where:
Base-Base interactions energy: -605.014
where: short stacking energy: -287.128
Base-Backbone interact. energy: 1.361
local terms energy: -336.622674
where:
bonds (distance) C4'-P energy: -74.921
bonds (distance) P-C4' energy: -51.137
flat angles C4'-P-C4' energy: -71.637
flat angles P-C4'-P energy: -48.720
tors. eta vs tors. theta energy: -90.208
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: 5
=====================================
Write number: 97
Temperature: 1.050000
Total energy: -840.155995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -840.155995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -840.155995 (E_RNA)
where:
Base-Base interactions energy: -524.717
where: short stacking energy: -246.689
Base-Backbone interact. energy: -0.950
local terms energy: -314.488570
where:
bonds (distance) C4'-P energy: -67.639
bonds (distance) P-C4' energy: -64.861
flat angles C4'-P-C4' energy: -72.467
flat angles P-C4'-P energy: -46.407
tors. eta vs tors. theta energy: -63.115
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: 2
=====================================
Write number: 97
Temperature: 1.100000
Total energy: -626.465481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -626.465481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -626.465481 (E_RNA)
where:
Base-Base interactions energy: -365.296
where: short stacking energy: -183.144
Base-Backbone interact. energy: -0.850
local terms energy: -260.318702
where:
bonds (distance) C4'-P energy: -57.831
bonds (distance) P-C4' energy: -55.311
flat angles C4'-P-C4' energy: -62.034
flat angles P-C4'-P energy: -44.913
tors. eta vs tors. theta energy: -40.229
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 97
Temperature: 1.150000
Total energy: -454.524141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -454.524141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -454.524141 (E_RNA)
where:
Base-Base interactions energy: -217.218
where: short stacking energy: -90.170
Base-Backbone interact. energy: -0.350
local terms energy: -236.955372
where:
bonds (distance) C4'-P energy: -56.974
bonds (distance) P-C4' energy: -72.371
flat angles C4'-P-C4' energy: -59.302
flat angles P-C4'-P energy: -40.870
tors. eta vs tors. theta energy: -7.439
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 97
Temperature: 1.200000
Total energy: -328.176867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.176867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.176867 (E_RNA)
where:
Base-Base interactions energy: -110.925
where: short stacking energy: -80.051
Base-Backbone interact. energy: 2.088
local terms energy: -219.339563
where:
bonds (distance) C4'-P energy: -58.232
bonds (distance) P-C4' energy: -61.109
flat angles C4'-P-C4' energy: -64.578
flat angles P-C4'-P energy: -31.848
tors. eta vs tors. theta energy: -3.573
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: 9
=====================================
Write number: 97
Temperature: 1.250000
Total energy: -301.489631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.489631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.489631 (E_RNA)
where:
Base-Base interactions energy: -89.490
where: short stacking energy: -78.912
Base-Backbone interact. energy: -1.847
local terms energy: -210.152482
where:
bonds (distance) C4'-P energy: -62.089
bonds (distance) P-C4' energy: -63.180
flat angles C4'-P-C4' energy: -57.026
flat angles P-C4'-P energy: -26.751
tors. eta vs tors. theta energy: -1.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 97
Temperature: 1.300000
Total energy: -294.817561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.817561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.817561 (E_RNA)
where:
Base-Base interactions energy: -103.658
where: short stacking energy: -69.220
Base-Backbone interact. energy: -0.370
local terms energy: -190.790297
where:
bonds (distance) C4'-P energy: -59.286
bonds (distance) P-C4' energy: -54.340
flat angles C4'-P-C4' energy: -63.020
flat angles P-C4'-P energy: -20.812
tors. eta vs tors. theta energy: 6.668
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: 10
=====================================
Write number: 97
Temperature: 1.350000
Total energy: -276.034827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.034827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.034827 (E_RNA)
where:
Base-Base interactions energy: -96.497
where: short stacking energy: -80.838
Base-Backbone interact. energy: 0.421
local terms energy: -179.958874
where:
bonds (distance) C4'-P energy: -45.011
bonds (distance) P-C4' energy: -68.073
flat angles C4'-P-C4' energy: -52.401
flat angles P-C4'-P energy: -19.908
tors. eta vs tors. theta energy: 5.434
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 98
Temperature: 0.900000
Total energy: -1075.588794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1075.588794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1075.588794 (E_RNA)
where:
Base-Base interactions energy: -710.114
where: short stacking energy: -332.446
Base-Backbone interact. energy: 0.505
local terms energy: -365.980182
where:
bonds (distance) C4'-P energy: -64.201
bonds (distance) P-C4' energy: -68.924
flat angles C4'-P-C4' energy: -68.856
flat angles P-C4'-P energy: -52.485
tors. eta vs tors. theta energy: -111.515
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 98
Temperature: 0.950000
Total energy: -1005.364235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1005.364235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1005.364235 (E_RNA)
where:
Base-Base interactions energy: -670.049
where: short stacking energy: -295.143
Base-Backbone interact. energy: -2.855
local terms energy: -332.460455
where:
bonds (distance) C4'-P energy: -61.470
bonds (distance) P-C4' energy: -67.539
flat angles C4'-P-C4' energy: -66.565
flat angles P-C4'-P energy: -46.368
tors. eta vs tors. theta energy: -90.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 98
Temperature: 1.000000
Total energy: -938.695113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -938.695113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -938.695113 (E_RNA)
where:
Base-Base interactions energy: -596.323
where: short stacking energy: -269.112
Base-Backbone interact. energy: -1.947
local terms energy: -340.425908
where:
bonds (distance) C4'-P energy: -61.766
bonds (distance) P-C4' energy: -71.798
flat angles C4'-P-C4' energy: -78.933
flat angles P-C4'-P energy: -45.151
tors. eta vs tors. theta energy: -82.778
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 98
Temperature: 1.050000
Total energy: -802.160262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -802.160262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -802.160262 (E_RNA)
where:
Base-Base interactions energy: -504.621
where: short stacking energy: -221.773
Base-Backbone interact. energy: -3.626
local terms energy: -293.913285
where:
bonds (distance) C4'-P energy: -62.774
bonds (distance) P-C4' energy: -58.049
flat angles C4'-P-C4' energy: -70.571
flat angles P-C4'-P energy: -43.355
tors. eta vs tors. theta energy: -59.165
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 98
Temperature: 1.100000
Total energy: -607.929340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -607.929340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -607.929340 (E_RNA)
where:
Base-Base interactions energy: -348.401
where: short stacking energy: -188.562
Base-Backbone interact. energy: -1.739
local terms energy: -257.789503
where:
bonds (distance) C4'-P energy: -64.718
bonds (distance) P-C4' energy: -56.417
flat angles C4'-P-C4' energy: -59.850
flat angles P-C4'-P energy: -46.041
tors. eta vs tors. theta energy: -30.763
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 98
Temperature: 1.150000
Total energy: -437.638095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -437.638095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -437.638095 (E_RNA)
where:
Base-Base interactions energy: -212.591
where: short stacking energy: -116.179
Base-Backbone interact. energy: -0.102
local terms energy: -224.944874
where:
bonds (distance) C4'-P energy: -59.892
bonds (distance) P-C4' energy: -44.120
flat angles C4'-P-C4' energy: -67.039
flat angles P-C4'-P energy: -39.325
tors. eta vs tors. theta energy: -14.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 98
Temperature: 1.200000
Total energy: -354.005816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.005816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.005816 (E_RNA)
where:
Base-Base interactions energy: -118.693
where: short stacking energy: -99.741
Base-Backbone interact. energy: -1.352
local terms energy: -233.960685
where:
bonds (distance) C4'-P energy: -69.836
bonds (distance) P-C4' energy: -60.905
flat angles C4'-P-C4' energy: -52.550
flat angles P-C4'-P energy: -41.620
tors. eta vs tors. theta energy: -9.050
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: 8, replica: 9
=====================================
Write number: 98
Temperature: 1.250000
Total energy: -340.546235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.546235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.546235 (E_RNA)
where:
Base-Base interactions energy: -118.193
where: short stacking energy: -91.434
Base-Backbone interact. energy: -2.738
local terms energy: -219.615084
where:
bonds (distance) C4'-P energy: -57.249
bonds (distance) P-C4' energy: -75.470
flat angles C4'-P-C4' energy: -60.730
flat angles P-C4'-P energy: -36.590
tors. eta vs tors. theta energy: 10.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 98
Temperature: 1.300000
Total energy: -304.221990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.221990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.221990 (E_RNA)
where:
Base-Base interactions energy: -120.843
where: short stacking energy: -82.206
Base-Backbone interact. energy: 0.873
local terms energy: -184.251495
where:
bonds (distance) C4'-P energy: -46.501
bonds (distance) P-C4' energy: -48.509
flat angles C4'-P-C4' energy: -58.548
flat angles P-C4'-P energy: -38.262
tors. eta vs tors. theta energy: 7.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 98
Temperature: 1.350000
Total energy: -281.074905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.074905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.074905 (E_RNA)
where:
Base-Base interactions energy: -94.937
where: short stacking energy: -71.745
Base-Backbone interact. energy: -2.328
local terms energy: -183.809854
where:
bonds (distance) C4'-P energy: -62.231
bonds (distance) P-C4' energy: -59.862
flat angles C4'-P-C4' energy: -57.034
flat angles P-C4'-P energy: -15.600
tors. eta vs tors. theta energy: 10.917
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 99
Temperature: 0.900000
Total energy: -1103.388838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1103.388838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1103.388838 (E_RNA)
where:
Base-Base interactions energy: -725.442
where: short stacking energy: -318.556
Base-Backbone interact. energy: 0.644
local terms energy: -378.590963
where:
bonds (distance) C4'-P energy: -73.196
bonds (distance) P-C4' energy: -74.887
flat angles C4'-P-C4' energy: -75.318
flat angles P-C4'-P energy: -49.892
tors. eta vs tors. theta energy: -105.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 99
Temperature: 0.950000
Total energy: -975.274558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -975.274558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -975.274558 (E_RNA)
where:
Base-Base interactions energy: -617.950
where: short stacking energy: -264.593
Base-Backbone interact. energy: -2.965
local terms energy: -354.359311
where:
bonds (distance) C4'-P energy: -68.559
bonds (distance) P-C4' energy: -75.325
flat angles C4'-P-C4' energy: -71.630
flat angles P-C4'-P energy: -58.869
tors. eta vs tors. theta energy: -79.976
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 99
Temperature: 1.000000
Total energy: -940.293536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -940.293536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -940.293536 (E_RNA)
where:
Base-Base interactions energy: -604.824
where: short stacking energy: -275.449
Base-Backbone interact. energy: 0.356
local terms energy: -335.825381
where:
bonds (distance) C4'-P energy: -63.941
bonds (distance) P-C4' energy: -74.547
flat angles C4'-P-C4' energy: -74.280
flat angles P-C4'-P energy: -42.838
tors. eta vs tors. theta energy: -80.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 99
Temperature: 1.050000
Total energy: -774.931745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -774.931745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -774.931745 (E_RNA)
where:
Base-Base interactions energy: -476.584
where: short stacking energy: -217.596
Base-Backbone interact. energy: -1.003
local terms energy: -297.344874
where:
bonds (distance) C4'-P energy: -69.109
bonds (distance) P-C4' energy: -76.311
flat angles C4'-P-C4' energy: -62.621
flat angles P-C4'-P energy: -33.062
tors. eta vs tors. theta energy: -56.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 99
Temperature: 1.100000
Total energy: -627.438751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -627.438751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -627.438751 (E_RNA)
where:
Base-Base interactions energy: -344.646
where: short stacking energy: -172.246
Base-Backbone interact. energy: -1.668
local terms energy: -281.124962
where:
bonds (distance) C4'-P energy: -58.918
bonds (distance) P-C4' energy: -66.092
flat angles C4'-P-C4' energy: -67.512
flat angles P-C4'-P energy: -45.206
tors. eta vs tors. theta energy: -43.397
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 99
Temperature: 1.150000
Total energy: -444.645187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -444.645187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -444.645187 (E_RNA)
where:
Base-Base interactions energy: -214.879
where: short stacking energy: -127.804
Base-Backbone interact. energy: 0.045
local terms energy: -229.810541
where:
bonds (distance) C4'-P energy: -52.935
bonds (distance) P-C4' energy: -57.962
flat angles C4'-P-C4' energy: -63.666
flat angles P-C4'-P energy: -42.193
tors. eta vs tors. theta energy: -13.054
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 99
Temperature: 1.200000
Total energy: -332.829501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.829501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.829501 (E_RNA)
where:
Base-Base interactions energy: -119.092
where: short stacking energy: -104.468
Base-Backbone interact. energy: 2.541
local terms energy: -216.279104
where:
bonds (distance) C4'-P energy: -65.112
bonds (distance) P-C4' energy: -65.005
flat angles C4'-P-C4' energy: -62.045
flat angles P-C4'-P energy: -28.177
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: 8, replica: 10
=====================================
Write number: 99
Temperature: 1.250000
Total energy: -330.092128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.092128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.092128 (E_RNA)
where:
Base-Base interactions energy: -119.209
where: short stacking energy: -72.688
Base-Backbone interact. energy: -1.189
local terms energy: -209.694064
where:
bonds (distance) C4'-P energy: -65.437
bonds (distance) P-C4' energy: -64.018
flat angles C4'-P-C4' energy: -51.528
flat angles P-C4'-P energy: -36.783
tors. eta vs tors. theta energy: 8.073
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 99
Temperature: 1.300000
Total energy: -287.859854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.859854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.859854 (E_RNA)
where:
Base-Base interactions energy: -82.691
where: short stacking energy: -69.651
Base-Backbone interact. energy: 2.294
local terms energy: -207.463263
where:
bonds (distance) C4'-P energy: -62.172
bonds (distance) P-C4' energy: -70.161
flat angles C4'-P-C4' energy: -46.466
flat angles P-C4'-P energy: -34.267
tors. eta vs tors. theta energy: 5.604
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 99
Temperature: 1.350000
Total energy: -280.996247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.996247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.996247 (E_RNA)
where:
Base-Base interactions energy: -92.269
where: short stacking energy: -72.798
Base-Backbone interact. energy: 2.722
local terms energy: -191.449346
where:
bonds (distance) C4'-P energy: -53.400
bonds (distance) P-C4' energy: -58.756
flat angles C4'-P-C4' energy: -50.311
flat angles P-C4'-P energy: -39.209
tors. eta vs tors. theta energy: 10.227
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 100
Temperature: 0.900000
Total energy: -1083.414935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1083.414935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1083.414935 (E_RNA)
where:
Base-Base interactions energy: -717.326
where: short stacking energy: -309.403
Base-Backbone interact. energy: 2.607
local terms energy: -368.695964
where:
bonds (distance) C4'-P energy: -64.750
bonds (distance) P-C4' energy: -69.906
flat angles C4'-P-C4' energy: -83.399
flat angles P-C4'-P energy: -44.201
tors. eta vs tors. theta energy: -106.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 100
Temperature: 0.950000
Total energy: -981.662666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -981.662666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -981.662666 (E_RNA)
where:
Base-Base interactions energy: -657.328
where: short stacking energy: -278.489
Base-Backbone interact. energy: -0.964
local terms energy: -323.371032
where:
bonds (distance) C4'-P energy: -61.753
bonds (distance) P-C4' energy: -64.365
flat angles C4'-P-C4' energy: -73.885
flat angles P-C4'-P energy: -48.879
tors. eta vs tors. theta energy: -74.489
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: 1
=====================================
Write number: 100
Temperature: 1.000000
Total energy: -962.718852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -962.718852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -962.718852 (E_RNA)
where:
Base-Base interactions energy: -629.681
where: short stacking energy: -301.106
Base-Backbone interact. energy: 2.952
local terms energy: -335.990046
where:
bonds (distance) C4'-P energy: -60.277
bonds (distance) P-C4' energy: -69.167
flat angles C4'-P-C4' energy: -70.023
flat angles P-C4'-P energy: -45.325
tors. eta vs tors. theta energy: -91.198
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 100
Temperature: 1.050000
Total energy: -813.947098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -813.947098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -813.947098 (E_RNA)
where:
Base-Base interactions energy: -515.773
where: short stacking energy: -246.809
Base-Backbone interact. energy: -0.097
local terms energy: -298.076548
where:
bonds (distance) C4'-P energy: -66.284
bonds (distance) P-C4' energy: -63.479
flat angles C4'-P-C4' energy: -60.326
flat angles P-C4'-P energy: -39.608
tors. eta vs tors. theta energy: -68.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 100
Temperature: 1.100000
Total energy: -603.765076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -603.765076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -603.765076 (E_RNA)
where:
Base-Base interactions energy: -345.175
where: short stacking energy: -185.018
Base-Backbone interact. energy: -2.442
local terms energy: -256.148407
where:
bonds (distance) C4'-P energy: -56.492
bonds (distance) P-C4' energy: -57.946
flat angles C4'-P-C4' energy: -56.759
flat angles P-C4'-P energy: -43.850
tors. eta vs tors. theta energy: -41.102
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 100
Temperature: 1.150000
Total energy: -474.412781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -474.412781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -474.412781 (E_RNA)
where:
Base-Base interactions energy: -254.525
where: short stacking energy: -140.468
Base-Backbone interact. energy: 2.158
local terms energy: -222.046179
where:
bonds (distance) C4'-P energy: -46.537
bonds (distance) P-C4' energy: -52.318
flat angles C4'-P-C4' energy: -61.903
flat angles P-C4'-P energy: -43.457
tors. eta vs tors. theta energy: -17.831
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: 7, replica: 10
=====================================
Write number: 100
Temperature: 1.200000
Total energy: -334.847497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.847497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.847497 (E_RNA)
where:
Base-Base interactions energy: -118.117
where: short stacking energy: -75.944
Base-Backbone interact. energy: -1.695
local terms energy: -215.034808
where:
bonds (distance) C4'-P energy: -48.606
bonds (distance) P-C4' energy: -68.332
flat angles C4'-P-C4' energy: -58.898
flat angles P-C4'-P energy: -41.911
tors. eta vs tors. theta energy: 2.713
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 100
Temperature: 1.250000
Total energy: -323.836998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.836998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.836998 (E_RNA)
where:
Base-Base interactions energy: -131.519
where: short stacking energy: -119.250
Base-Backbone interact. energy: 1.940
local terms energy: -194.257927
where:
bonds (distance) C4'-P energy: -44.579
bonds (distance) P-C4' energy: -55.572
flat angles C4'-P-C4' energy: -62.117
flat angles P-C4'-P energy: -25.611
tors. eta vs tors. theta energy: -6.380
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: 8
=====================================
Write number: 100
Temperature: 1.300000
Total energy: -283.181236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.181236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.181236 (E_RNA)
where:
Base-Base interactions energy: -101.665
where: short stacking energy: -75.323
Base-Backbone interact. energy: 2.999
local terms energy: -184.515036
where:
bonds (distance) C4'-P energy: -46.891
bonds (distance) P-C4' energy: -63.761
flat angles C4'-P-C4' energy: -48.002
flat angles P-C4'-P energy: -32.128
tors. eta vs tors. theta energy: 6.267
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 100
Temperature: 1.350000
Total energy: -276.397866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.397866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.397866 (E_RNA)
where:
Base-Base interactions energy: -82.619
where: short stacking energy: -70.113
Base-Backbone interact. energy: 1.101
local terms energy: -194.880231
where:
bonds (distance) C4'-P energy: -61.517
bonds (distance) P-C4' energy: -58.337
flat angles C4'-P-C4' energy: -37.997
flat angles P-C4'-P energy: -36.165
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: 1, replica: 4
=====================================
Write number: 101
Temperature: 0.900000
Total energy: -1090.539554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1090.539554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1090.539554 (E_RNA)
where:
Base-Base interactions energy: -733.161
where: short stacking energy: -321.328
Base-Backbone interact. energy: 0.475
local terms energy: -357.853451
where:
bonds (distance) C4'-P energy: -55.952
bonds (distance) P-C4' energy: -62.899
flat angles C4'-P-C4' energy: -78.107
flat angles P-C4'-P energy: -44.533
tors. eta vs tors. theta energy: -116.362
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: 2, replica: 1
=====================================
Write number: 101
Temperature: 0.950000
Total energy: -974.813006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -974.813006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -974.813006 (E_RNA)
where:
Base-Base interactions energy: -649.250
where: short stacking energy: -297.362
Base-Backbone interact. energy: 0.517
local terms energy: -326.079351
where:
bonds (distance) C4'-P energy: -54.226
bonds (distance) P-C4' energy: -54.404
flat angles C4'-P-C4' energy: -74.385
flat angles P-C4'-P energy: -51.106
tors. eta vs tors. theta energy: -91.957
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: 101
Temperature: 1.000000
Total energy: -957.476950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -957.476950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -957.476950 (E_RNA)
where:
Base-Base interactions energy: -610.533
where: short stacking energy: -264.047
Base-Backbone interact. energy: -1.092
local terms energy: -345.852413
where:
bonds (distance) C4'-P energy: -65.408
bonds (distance) P-C4' energy: -70.702
flat angles C4'-P-C4' energy: -77.753
flat angles P-C4'-P energy: -53.479
tors. eta vs tors. theta energy: -78.511
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: 101
Temperature: 1.050000
Total energy: -803.291197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -803.291197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -803.291197 (E_RNA)
where:
Base-Base interactions energy: -500.953
where: short stacking energy: -236.384
Base-Backbone interact. energy: -2.570
local terms energy: -299.767718
where:
bonds (distance) C4'-P energy: -69.911
bonds (distance) P-C4' energy: -66.602
flat angles C4'-P-C4' energy: -63.034
flat angles P-C4'-P energy: -45.508
tors. eta vs tors. theta energy: -54.712
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: 2
=====================================
Write number: 101
Temperature: 1.100000
Total energy: -656.560712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -656.560712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -656.560712 (E_RNA)
where:
Base-Base interactions energy: -360.024
where: short stacking energy: -200.383
Base-Backbone interact. energy: -0.356
local terms energy: -296.180531
where:
bonds (distance) C4'-P energy: -66.806
bonds (distance) P-C4' energy: -67.764
flat angles C4'-P-C4' energy: -71.757
flat angles P-C4'-P energy: -37.648
tors. eta vs tors. theta energy: -52.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 101
Temperature: 1.150000
Total energy: -424.205649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -424.205649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -424.205649 (E_RNA)
where:
Base-Base interactions energy: -177.561
where: short stacking energy: -112.767
Base-Backbone interact. energy: -1.596
local terms energy: -245.048599
where:
bonds (distance) C4'-P energy: -53.786
bonds (distance) P-C4' energy: -76.649
flat angles C4'-P-C4' energy: -57.219
flat angles P-C4'-P energy: -36.116
tors. eta vs tors. theta energy: -21.279
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 101
Temperature: 1.200000
Total energy: -343.919312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.919312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.919312 (E_RNA)
where:
Base-Base interactions energy: -136.504
where: short stacking energy: -95.786
Base-Backbone interact. energy: -1.295
local terms energy: -206.120523
where:
bonds (distance) C4'-P energy: -52.143
bonds (distance) P-C4' energy: -64.317
flat angles C4'-P-C4' energy: -59.125
flat angles P-C4'-P energy: -29.094
tors. eta vs tors. theta energy: -1.441
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: 101
Temperature: 1.250000
Total energy: -341.854114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.854114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.854114 (E_RNA)
where:
Base-Base interactions energy: -154.777
where: short stacking energy: -101.085
Base-Backbone interact. energy: 2.293
local terms energy: -189.370420
where:
bonds (distance) C4'-P energy: -52.014
bonds (distance) P-C4' energy: -61.038
flat angles C4'-P-C4' energy: -49.361
flat angles P-C4'-P energy: -22.837
tors. eta vs tors. theta energy: -4.122
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: 8
=====================================
Write number: 101
Temperature: 1.300000
Total energy: -281.432656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.432656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.432656 (E_RNA)
where:
Base-Base interactions energy: -102.194
where: short stacking energy: -87.836
Base-Backbone interact. energy: -0.490
local terms energy: -178.748229
where:
bonds (distance) C4'-P energy: -55.086
bonds (distance) P-C4' energy: -59.968
flat angles C4'-P-C4' energy: -47.840
flat angles P-C4'-P energy: -26.740
tors. eta vs tors. theta energy: 10.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 101
Temperature: 1.350000
Total energy: -294.890661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.890661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.890661 (E_RNA)
where:
Base-Base interactions energy: -98.856
where: short stacking energy: -80.486
Base-Backbone interact. energy: -0.227
local terms energy: -195.807544
where:
bonds (distance) C4'-P energy: -64.223
bonds (distance) P-C4' energy: -70.828
flat angles C4'-P-C4' energy: -40.077
flat angles P-C4'-P energy: -15.638
tors. eta vs tors. theta energy: -5.042
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 102
Temperature: 0.900000
Total energy: -1087.153080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1087.153080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1087.153080 (E_RNA)
where:
Base-Base interactions energy: -712.262
where: short stacking energy: -338.841
Base-Backbone interact. energy: -1.046
local terms energy: -373.845373
where:
bonds (distance) C4'-P energy: -70.109
bonds (distance) P-C4' energy: -64.745
flat angles C4'-P-C4' energy: -69.584
flat angles P-C4'-P energy: -58.005
tors. eta vs tors. theta energy: -111.403
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: 102
Temperature: 0.950000
Total energy: -984.515434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -984.515434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -984.515434 (E_RNA)
where:
Base-Base interactions energy: -652.626
where: short stacking energy: -304.336
Base-Backbone interact. energy: -1.105
local terms energy: -330.784204
where:
bonds (distance) C4'-P energy: -63.692
bonds (distance) P-C4' energy: -71.346
flat angles C4'-P-C4' energy: -70.450
flat angles P-C4'-P energy: -38.931
tors. eta vs tors. theta energy: -86.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 102
Temperature: 1.000000
Total energy: -945.958402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -945.958402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -945.958402 (E_RNA)
where:
Base-Base interactions energy: -620.308
where: short stacking energy: -245.999
Base-Backbone interact. energy: -1.256
local terms energy: -324.394710
where:
bonds (distance) C4'-P energy: -64.197
bonds (distance) P-C4' energy: -69.780
flat angles C4'-P-C4' energy: -67.990
flat angles P-C4'-P energy: -56.646
tors. eta vs tors. theta energy: -65.782
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: 5
=====================================
Write number: 102
Temperature: 1.050000
Total energy: -823.588346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -823.588346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -823.588346 (E_RNA)
where:
Base-Base interactions energy: -513.357
where: short stacking energy: -252.262
Base-Backbone interact. energy: 0.007
local terms energy: -310.238019
where:
bonds (distance) C4'-P energy: -57.432
bonds (distance) P-C4' energy: -69.090
flat angles C4'-P-C4' energy: -67.974
flat angles P-C4'-P energy: -46.360
tors. eta vs tors. theta energy: -69.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 102
Temperature: 1.100000
Total energy: -645.679610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -645.679610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -645.679610 (E_RNA)
where:
Base-Base interactions energy: -365.425
where: short stacking energy: -192.114
Base-Backbone interact. energy: 0.478
local terms energy: -280.732710
where:
bonds (distance) C4'-P energy: -60.252
bonds (distance) P-C4' energy: -64.391
flat angles C4'-P-C4' energy: -66.240
flat angles P-C4'-P energy: -38.542
tors. eta vs tors. theta energy: -51.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 102
Temperature: 1.150000
Total energy: -436.049382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -436.049382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -436.049382 (E_RNA)
where:
Base-Base interactions energy: -207.376
where: short stacking energy: -119.543
Base-Backbone interact. energy: -0.197
local terms energy: -228.476775
where:
bonds (distance) C4'-P energy: -64.355
bonds (distance) P-C4' energy: -61.419
flat angles C4'-P-C4' energy: -56.158
flat angles P-C4'-P energy: -32.499
tors. eta vs tors. theta energy: -14.045
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 102
Temperature: 1.200000
Total energy: -339.579570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.579570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.579570 (E_RNA)
where:
Base-Base interactions energy: -135.302
where: short stacking energy: -93.660
Base-Backbone interact. energy: -2.117
local terms energy: -202.161056
where:
bonds (distance) C4'-P energy: -61.654
bonds (distance) P-C4' energy: -53.337
flat angles C4'-P-C4' energy: -46.763
flat angles P-C4'-P energy: -43.848
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: 8, replica: 10
=====================================
Write number: 102
Temperature: 1.250000
Total energy: -313.218966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.218966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.218966 (E_RNA)
where:
Base-Base interactions energy: -135.939
where: short stacking energy: -75.080
Base-Backbone interact. energy: -2.284
local terms energy: -174.996014
where:
bonds (distance) C4'-P energy: -64.544
bonds (distance) P-C4' energy: -53.659
flat angles C4'-P-C4' energy: -50.097
flat angles P-C4'-P energy: -17.005
tors. eta vs tors. theta energy: 10.308
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: 8
=====================================
Write number: 102
Temperature: 1.300000
Total energy: -295.192895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.192895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.192895 (E_RNA)
where:
Base-Base interactions energy: -98.436
where: short stacking energy: -85.529
Base-Backbone interact. energy: 0.769
local terms energy: -197.525846
where:
bonds (distance) C4'-P energy: -38.674
bonds (distance) P-C4' energy: -71.029
flat angles C4'-P-C4' energy: -58.955
flat angles P-C4'-P energy: -30.871
tors. eta vs tors. theta energy: 2.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 102
Temperature: 1.350000
Total energy: -273.375746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.375746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.375746 (E_RNA)
where:
Base-Base interactions energy: -89.766
where: short stacking energy: -76.646
Base-Backbone interact. energy: -0.778
local terms energy: -182.831622
where:
bonds (distance) C4'-P energy: -59.958
bonds (distance) P-C4' energy: -56.239
flat angles C4'-P-C4' energy: -54.182
flat angles P-C4'-P energy: -30.349
tors. eta vs tors. theta energy: 17.897
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: 4
=====================================
Write number: 103
Temperature: 0.900000
Total energy: -1065.453668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1065.453668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1065.453668 (E_RNA)
where:
Base-Base interactions energy: -682.180
where: short stacking energy: -322.649
Base-Backbone interact. energy: -0.973
local terms energy: -382.300621
where:
bonds (distance) C4'-P energy: -74.295
bonds (distance) P-C4' energy: -71.289
flat angles C4'-P-C4' energy: -79.826
flat angles P-C4'-P energy: -44.226
tors. eta vs tors. theta energy: -112.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 103
Temperature: 0.950000
Total energy: -965.835139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -965.835139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -965.835139 (E_RNA)
where:
Base-Base interactions energy: -620.838
where: short stacking energy: -266.256
Base-Backbone interact. energy: -2.480
local terms energy: -342.517722
where:
bonds (distance) C4'-P energy: -70.587
bonds (distance) P-C4' energy: -68.153
flat angles C4'-P-C4' energy: -77.474
flat angles P-C4'-P energy: -44.278
tors. eta vs tors. theta energy: -82.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 103
Temperature: 1.000000
Total energy: -949.405522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -949.405522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -949.405522 (E_RNA)
where:
Base-Base interactions energy: -598.537
where: short stacking energy: -273.534
Base-Backbone interact. energy: -0.913
local terms energy: -349.956008
where:
bonds (distance) C4'-P energy: -66.006
bonds (distance) P-C4' energy: -73.534
flat angles C4'-P-C4' energy: -77.406
flat angles P-C4'-P energy: -39.389
tors. eta vs tors. theta energy: -93.621
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: 4, replica: 5
=====================================
Write number: 103
Temperature: 1.050000
Total energy: -822.747826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -822.747826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -822.747826 (E_RNA)
where:
Base-Base interactions energy: -511.146
where: short stacking energy: -238.396
Base-Backbone interact. energy: 0.714
local terms energy: -312.315862
where:
bonds (distance) C4'-P energy: -62.124
bonds (distance) P-C4' energy: -69.455
flat angles C4'-P-C4' energy: -69.159
flat angles P-C4'-P energy: -41.476
tors. eta vs tors. theta energy: -70.100
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: 2
=====================================
Write number: 103
Temperature: 1.100000
Total energy: -697.715388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -697.715388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -697.715388 (E_RNA)
where:
Base-Base interactions energy: -415.731
where: short stacking energy: -207.037
Base-Backbone interact. energy: -2.304
local terms energy: -279.680275
where:
bonds (distance) C4'-P energy: -60.703
bonds (distance) P-C4' energy: -62.409
flat angles C4'-P-C4' energy: -64.555
flat angles P-C4'-P energy: -37.224
tors. eta vs tors. theta energy: -54.790
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 103
Temperature: 1.150000
Total energy: -423.631663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -423.631663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -423.631663 (E_RNA)
where:
Base-Base interactions energy: -186.622
where: short stacking energy: -126.260
Base-Backbone interact. energy: 0.577
local terms energy: -237.585946
where:
bonds (distance) C4'-P energy: -68.159
bonds (distance) P-C4' energy: -61.388
flat angles C4'-P-C4' energy: -59.707
flat angles P-C4'-P energy: -31.514
tors. eta vs tors. theta energy: -16.818
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 103
Temperature: 1.200000
Total energy: -353.091092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.091092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.091092 (E_RNA)
where:
Base-Base interactions energy: -125.229
where: short stacking energy: -83.861
Base-Backbone interact. energy: -1.529
local terms energy: -226.332835
where:
bonds (distance) C4'-P energy: -70.671
bonds (distance) P-C4' energy: -63.273
flat angles C4'-P-C4' energy: -48.879
flat angles P-C4'-P energy: -40.141
tors. eta vs tors. theta energy: -3.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 103
Temperature: 1.250000
Total energy: -297.843063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.843063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.843063 (E_RNA)
where:
Base-Base interactions energy: -90.912
where: short stacking energy: -61.805
Base-Backbone interact. energy: 1.750
local terms energy: -208.680546
where:
bonds (distance) C4'-P energy: -63.829
bonds (distance) P-C4' energy: -58.453
flat angles C4'-P-C4' energy: -48.503
flat angles P-C4'-P energy: -36.623
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: 9, replica: 8
=====================================
Write number: 103
Temperature: 1.300000
Total energy: -280.363701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.363701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.363701 (E_RNA)
where:
Base-Base interactions energy: -85.251
where: short stacking energy: -80.150
Base-Backbone interact. energy: -0.589
local terms energy: -194.523930
where:
bonds (distance) C4'-P energy: -64.085
bonds (distance) P-C4' energy: -59.095
flat angles C4'-P-C4' energy: -57.827
flat angles P-C4'-P energy: -17.530
tors. eta vs tors. theta energy: 4.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 103
Temperature: 1.350000
Total energy: -277.850663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.850663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.850663 (E_RNA)
where:
Base-Base interactions energy: -92.838
where: short stacking energy: -76.529
Base-Backbone interact. energy: 1.243
local terms energy: -186.256319
where:
bonds (distance) C4'-P energy: -60.107
bonds (distance) P-C4' energy: -63.304
flat angles C4'-P-C4' energy: -42.848
flat angles P-C4'-P energy: -31.623
tors. eta vs tors. theta energy: 11.626
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 104
Temperature: 0.900000
Total energy: -1086.398433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1086.398433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1086.398433 (E_RNA)
where:
Base-Base interactions energy: -699.067
where: short stacking energy: -330.686
Base-Backbone interact. energy: -0.914
local terms energy: -386.416673
where:
bonds (distance) C4'-P energy: -74.805
bonds (distance) P-C4' energy: -75.177
flat angles C4'-P-C4' energy: -71.957
flat angles P-C4'-P energy: -51.004
tors. eta vs tors. theta energy: -113.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 104
Temperature: 0.950000
Total energy: -992.763189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -992.763189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -992.763189 (E_RNA)
where:
Base-Base interactions energy: -641.920
where: short stacking energy: -276.615
Base-Backbone interact. energy: 0.028
local terms energy: -350.870607
where:
bonds (distance) C4'-P energy: -64.946
bonds (distance) P-C4' energy: -70.272
flat angles C4'-P-C4' energy: -79.351
flat angles P-C4'-P energy: -53.872
tors. eta vs tors. theta energy: -82.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 104
Temperature: 1.000000
Total energy: -957.798906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -957.798906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -957.798906 (E_RNA)
where:
Base-Base interactions energy: -607.891
where: short stacking energy: -278.267
Base-Backbone interact. energy: -1.731
local terms energy: -348.177663
where:
bonds (distance) C4'-P energy: -71.790
bonds (distance) P-C4' energy: -67.381
flat angles C4'-P-C4' energy: -68.658
flat angles P-C4'-P energy: -55.149
tors. eta vs tors. theta energy: -85.198
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 104
Temperature: 1.050000
Total energy: -840.645502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -840.645502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -840.645502 (E_RNA)
where:
Base-Base interactions energy: -543.163
where: short stacking energy: -241.044
Base-Backbone interact. energy: -0.623
local terms energy: -296.859685
where:
bonds (distance) C4'-P energy: -50.119
bonds (distance) P-C4' energy: -65.585
flat angles C4'-P-C4' energy: -71.397
flat angles P-C4'-P energy: -49.530
tors. eta vs tors. theta energy: -60.230
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 104
Temperature: 1.100000
Total energy: -699.483857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -699.483857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -699.483857 (E_RNA)
where:
Base-Base interactions energy: -419.058
where: short stacking energy: -197.944
Base-Backbone interact. energy: -1.026
local terms energy: -279.399608
where:
bonds (distance) C4'-P energy: -57.693
bonds (distance) P-C4' energy: -58.311
flat angles C4'-P-C4' energy: -69.638
flat angles P-C4'-P energy: -40.543
tors. eta vs tors. theta energy: -53.214
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 104
Temperature: 1.150000
Total energy: -499.304277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.304277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.304277 (E_RNA)
where:
Base-Base interactions energy: -259.741
where: short stacking energy: -152.992
Base-Backbone interact. energy: -2.399
local terms energy: -237.164726
where:
bonds (distance) C4'-P energy: -46.471
bonds (distance) P-C4' energy: -59.394
flat angles C4'-P-C4' energy: -59.606
flat angles P-C4'-P energy: -37.237
tors. eta vs tors. theta energy: -34.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 104
Temperature: 1.200000
Total energy: -359.879133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.879133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.879133 (E_RNA)
where:
Base-Base interactions energy: -145.142
where: short stacking energy: -89.733
Base-Backbone interact. energy: 1.822
local terms energy: -216.559033
where:
bonds (distance) C4'-P energy: -68.484
bonds (distance) P-C4' energy: -61.826
flat angles C4'-P-C4' energy: -60.527
flat angles P-C4'-P energy: -26.245
tors. eta vs tors. theta energy: 0.522
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 104
Temperature: 1.250000
Total energy: -299.760911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.760911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.760911 (E_RNA)
where:
Base-Base interactions energy: -92.470
where: short stacking energy: -61.235
Base-Backbone interact. energy: -1.355
local terms energy: -205.936444
where:
bonds (distance) C4'-P energy: -59.576
bonds (distance) P-C4' energy: -68.558
flat angles C4'-P-C4' energy: -52.542
flat angles P-C4'-P energy: -25.805
tors. eta vs tors. theta energy: 0.544
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 104
Temperature: 1.300000
Total energy: -291.744393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.744393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.744393 (E_RNA)
where:
Base-Base interactions energy: -84.407
where: short stacking energy: -81.648
Base-Backbone interact. energy: -1.784
local terms energy: -205.553048
where:
bonds (distance) C4'-P energy: -54.075
bonds (distance) P-C4' energy: -60.327
flat angles C4'-P-C4' energy: -54.017
flat angles P-C4'-P energy: -31.685
tors. eta vs tors. theta energy: -5.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 104
Temperature: 1.350000
Total energy: -264.124646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.124646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.124646 (E_RNA)
where:
Base-Base interactions energy: -98.650
where: short stacking energy: -79.855
Base-Backbone interact. energy: 0.062
local terms energy: -165.536526
where:
bonds (distance) C4'-P energy: -61.799
bonds (distance) P-C4' energy: -63.801
flat angles C4'-P-C4' energy: -42.666
flat angles P-C4'-P energy: -17.453
tors. eta vs tors. theta energy: 20.183
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 105
Temperature: 0.900000
Total energy: -1080.013534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1080.013534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1080.013534 (E_RNA)
where:
Base-Base interactions energy: -711.973
where: short stacking energy: -324.571
Base-Backbone interact. energy: -3.614
local terms energy: -364.426939
where:
bonds (distance) C4'-P energy: -65.915
bonds (distance) P-C4' energy: -60.830
flat angles C4'-P-C4' energy: -75.268
flat angles P-C4'-P energy: -48.468
tors. eta vs tors. theta energy: -113.946
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: 105
Temperature: 0.950000
Total energy: -1023.551960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1023.551960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1023.551960 (E_RNA)
where:
Base-Base interactions energy: -651.984
where: short stacking energy: -307.541
Base-Backbone interact. energy: -1.311
local terms energy: -370.256580
where:
bonds (distance) C4'-P energy: -68.290
bonds (distance) P-C4' energy: -62.865
flat angles C4'-P-C4' energy: -80.416
flat angles P-C4'-P energy: -55.596
tors. eta vs tors. theta energy: -103.090
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 105
Temperature: 1.000000
Total energy: -947.310341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -947.310341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -947.310341 (E_RNA)
where:
Base-Base interactions energy: -632.748
where: short stacking energy: -264.344
Base-Backbone interact. energy: 1.222
local terms energy: -315.784060
where:
bonds (distance) C4'-P energy: -64.183
bonds (distance) P-C4' energy: -64.448
flat angles C4'-P-C4' energy: -72.186
flat angles P-C4'-P energy: -45.819
tors. eta vs tors. theta energy: -69.148
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: 105
Temperature: 1.050000
Total energy: -767.770283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -767.770283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -767.770283 (E_RNA)
where:
Base-Base interactions energy: -478.026
where: short stacking energy: -215.378
Base-Backbone interact. energy: -1.179
local terms energy: -288.565199
where:
bonds (distance) C4'-P energy: -73.603
bonds (distance) P-C4' energy: -60.730
flat angles C4'-P-C4' energy: -60.462
flat angles P-C4'-P energy: -39.782
tors. eta vs tors. theta energy: -53.988
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: 2
=====================================
Write number: 105
Temperature: 1.100000
Total energy: -712.002813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -712.002813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -712.002813 (E_RNA)
where:
Base-Base interactions energy: -441.743
where: short stacking energy: -210.612
Base-Backbone interact. energy: 0.079
local terms energy: -270.338487
where:
bonds (distance) C4'-P energy: -65.744
bonds (distance) P-C4' energy: -61.390
flat angles C4'-P-C4' energy: -63.511
flat angles P-C4'-P energy: -32.113
tors. eta vs tors. theta energy: -47.581
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 105
Temperature: 1.150000
Total energy: -556.386572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.386572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -556.386572 (E_RNA)
where:
Base-Base interactions energy: -316.758
where: short stacking energy: -159.446
Base-Backbone interact. energy: -1.983
local terms energy: -237.645165
where:
bonds (distance) C4'-P energy: -51.413
bonds (distance) P-C4' energy: -60.270
flat angles C4'-P-C4' energy: -63.908
flat angles P-C4'-P energy: -40.427
tors. eta vs tors. theta energy: -21.626
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 105
Temperature: 1.200000
Total energy: -369.981493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.981493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.981493 (E_RNA)
where:
Base-Base interactions energy: -144.335
where: short stacking energy: -119.925
Base-Backbone interact. energy: -2.513
local terms energy: -223.133016
where:
bonds (distance) C4'-P energy: -53.552
bonds (distance) P-C4' energy: -62.548
flat angles C4'-P-C4' energy: -66.183
flat angles P-C4'-P energy: -30.251
tors. eta vs tors. theta energy: -10.598
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: 10
=====================================
Write number: 105
Temperature: 1.250000
Total energy: -323.092292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.092292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.092292 (E_RNA)
where:
Base-Base interactions energy: -111.147
where: short stacking energy: -87.393
Base-Backbone interact. energy: 1.480
local terms energy: -213.424833
where:
bonds (distance) C4'-P energy: -58.227
bonds (distance) P-C4' energy: -60.782
flat angles C4'-P-C4' energy: -50.583
flat angles P-C4'-P energy: -43.023
tors. eta vs tors. theta energy: -0.809
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 105
Temperature: 1.300000
Total energy: -304.143092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.143092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.143092 (E_RNA)
where:
Base-Base interactions energy: -92.453
where: short stacking energy: -85.207
Base-Backbone interact. energy: 1.135
local terms energy: -212.824148
where:
bonds (distance) C4'-P energy: -48.971
bonds (distance) P-C4' energy: -81.703
flat angles C4'-P-C4' energy: -53.723
flat angles P-C4'-P energy: -31.288
tors. eta vs tors. theta energy: 2.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 105
Temperature: 1.350000
Total energy: -256.843733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.843733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.843733 (E_RNA)
where:
Base-Base interactions energy: -80.377
where: short stacking energy: -57.804
Base-Backbone interact. energy: 3.353
local terms energy: -179.819215
where:
bonds (distance) C4'-P energy: -62.550
bonds (distance) P-C4' energy: -64.917
flat angles C4'-P-C4' energy: -35.465
flat angles P-C4'-P energy: -32.312
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: 1, replica: 4
=====================================
Write number: 106
Temperature: 0.900000
Total energy: -1074.995981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1074.995981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1074.995981 (E_RNA)
where:
Base-Base interactions energy: -690.813
where: short stacking energy: -323.739
Base-Backbone interact. energy: -0.595
local terms energy: -383.588203
where:
bonds (distance) C4'-P energy: -71.113
bonds (distance) P-C4' energy: -67.250
flat angles C4'-P-C4' energy: -85.508
flat angles P-C4'-P energy: -46.557
tors. eta vs tors. theta energy: -113.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 106
Temperature: 0.950000
Total energy: -1003.228269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1003.228269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1003.228269 (E_RNA)
where:
Base-Base interactions energy: -646.763
where: short stacking energy: -292.703
Base-Backbone interact. energy: -0.684
local terms energy: -355.781099
where:
bonds (distance) C4'-P energy: -68.045
bonds (distance) P-C4' energy: -74.179
flat angles C4'-P-C4' energy: -80.330
flat angles P-C4'-P energy: -37.924
tors. eta vs tors. theta energy: -95.304
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 106
Temperature: 1.000000
Total energy: -952.489320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -952.489320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -952.489320 (E_RNA)
where:
Base-Base interactions energy: -645.058
where: short stacking energy: -262.677
Base-Backbone interact. energy: -0.857
local terms energy: -306.575078
where:
bonds (distance) C4'-P energy: -56.827
bonds (distance) P-C4' energy: -53.906
flat angles C4'-P-C4' energy: -75.365
flat angles P-C4'-P energy: -54.650
tors. eta vs tors. theta energy: -65.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 106
Temperature: 1.050000
Total energy: -800.703041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -800.703041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -800.703041 (E_RNA)
where:
Base-Base interactions energy: -510.074
where: short stacking energy: -224.497
Base-Backbone interact. energy: 0.325
local terms energy: -290.954060
where:
bonds (distance) C4'-P energy: -62.606
bonds (distance) P-C4' energy: -52.707
flat angles C4'-P-C4' energy: -69.097
flat angles P-C4'-P energy: -40.743
tors. eta vs tors. theta energy: -65.801
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 106
Temperature: 1.100000
Total energy: -684.297452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -684.297452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -684.297452 (E_RNA)
where:
Base-Base interactions energy: -401.494
where: short stacking energy: -199.516
Base-Backbone interact. energy: -1.310
local terms energy: -281.492622
where:
bonds (distance) C4'-P energy: -55.224
bonds (distance) P-C4' energy: -69.881
flat angles C4'-P-C4' energy: -60.066
flat angles P-C4'-P energy: -37.301
tors. eta vs tors. theta energy: -59.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 106
Temperature: 1.150000
Total energy: -511.988226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.988226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.988226 (E_RNA)
where:
Base-Base interactions energy: -281.451
where: short stacking energy: -149.151
Base-Backbone interact. energy: 1.637
local terms energy: -232.173807
where:
bonds (distance) C4'-P energy: -62.214
bonds (distance) P-C4' energy: -52.638
flat angles C4'-P-C4' energy: -60.068
flat angles P-C4'-P energy: -35.518
tors. eta vs tors. theta energy: -21.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 106
Temperature: 1.200000
Total energy: -333.818307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.818307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.818307 (E_RNA)
where:
Base-Base interactions energy: -120.618
where: short stacking energy: -102.253
Base-Backbone interact. energy: -2.546
local terms energy: -210.654338
where:
bonds (distance) C4'-P energy: -56.541
bonds (distance) P-C4' energy: -61.015
flat angles C4'-P-C4' energy: -64.727
flat angles P-C4'-P energy: -27.869
tors. eta vs tors. theta energy: -0.503
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: 8, replica: 7
=====================================
Write number: 106
Temperature: 1.250000
Total energy: -315.878404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.878404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.878404 (E_RNA)
where:
Base-Base interactions energy: -118.906
where: short stacking energy: -99.864
Base-Backbone interact. energy: 2.581
local terms energy: -199.553775
where:
bonds (distance) C4'-P energy: -73.271
bonds (distance) P-C4' energy: -56.461
flat angles C4'-P-C4' energy: -51.201
flat angles P-C4'-P energy: -25.239
tors. eta vs tors. theta energy: 6.618
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: 9
=====================================
Write number: 106
Temperature: 1.300000
Total energy: -286.446680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.446680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.446680 (E_RNA)
where:
Base-Base interactions energy: -98.482
where: short stacking energy: -77.752
Base-Backbone interact. energy: -0.231
local terms energy: -187.733715
where:
bonds (distance) C4'-P energy: -59.885
bonds (distance) P-C4' energy: -64.467
flat angles C4'-P-C4' energy: -56.477
flat angles P-C4'-P energy: -24.187
tors. eta vs tors. theta energy: 17.282
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 106
Temperature: 1.350000
Total energy: -270.023853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.023853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.023853 (E_RNA)
where:
Base-Base interactions energy: -74.848
where: short stacking energy: -61.107
Base-Backbone interact. energy: -1.970
local terms energy: -193.205306
where:
bonds (distance) C4'-P energy: -64.488
bonds (distance) P-C4' energy: -65.917
flat angles C4'-P-C4' energy: -43.450
flat angles P-C4'-P energy: -24.227
tors. eta vs tors. theta energy: 4.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 107
Temperature: 0.900000
Total energy: -1101.431650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1101.431650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1101.431650 (E_RNA)
where:
Base-Base interactions energy: -735.958
where: short stacking energy: -332.066
Base-Backbone interact. energy: -1.148
local terms energy: -364.324859
where:
bonds (distance) C4'-P energy: -68.980
bonds (distance) P-C4' energy: -63.507
flat angles C4'-P-C4' energy: -77.468
flat angles P-C4'-P energy: -51.459
tors. eta vs tors. theta energy: -102.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 107
Temperature: 0.950000
Total energy: -988.555409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -988.555409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -988.555409 (E_RNA)
where:
Base-Base interactions energy: -637.627
where: short stacking energy: -280.000
Base-Backbone interact. energy: -1.020
local terms energy: -349.908274
where:
bonds (distance) C4'-P energy: -64.754
bonds (distance) P-C4' energy: -62.241
flat angles C4'-P-C4' energy: -74.877
flat angles P-C4'-P energy: -53.502
tors. eta vs tors. theta energy: -94.534
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: 107
Temperature: 1.000000
Total energy: -912.447285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -912.447285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -912.447285 (E_RNA)
where:
Base-Base interactions energy: -573.537
where: short stacking energy: -274.043
Base-Backbone interact. energy: 0.337
local terms energy: -339.247248
where:
bonds (distance) C4'-P energy: -66.309
bonds (distance) P-C4' energy: -72.974
flat angles C4'-P-C4' energy: -70.029
flat angles P-C4'-P energy: -52.784
tors. eta vs tors. theta energy: -77.151
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 107
Temperature: 1.050000
Total energy: -767.404905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -767.404905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -767.404905 (E_RNA)
where:
Base-Base interactions energy: -471.150
where: short stacking energy: -222.300
Base-Backbone interact. energy: 3.549
local terms energy: -299.804368
where:
bonds (distance) C4'-P energy: -61.287
bonds (distance) P-C4' energy: -64.834
flat angles C4'-P-C4' energy: -66.505
flat angles P-C4'-P energy: -36.051
tors. eta vs tors. theta energy: -71.127
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 107
Temperature: 1.100000
Total energy: -702.230448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -702.230448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -702.230448 (E_RNA)
where:
Base-Base interactions energy: -408.227
where: short stacking energy: -223.421
Base-Backbone interact. energy: -2.305
local terms energy: -291.697996
where:
bonds (distance) C4'-P energy: -71.857
bonds (distance) P-C4' energy: -41.673
flat angles C4'-P-C4' energy: -62.209
flat angles P-C4'-P energy: -52.569
tors. eta vs tors. theta energy: -63.390
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: 6
=====================================
Write number: 107
Temperature: 1.150000
Total energy: -531.888635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.888635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.888635 (E_RNA)
where:
Base-Base interactions energy: -274.509
where: short stacking energy: -163.474
Base-Backbone interact. energy: 1.578
local terms energy: -258.957780
where:
bonds (distance) C4'-P energy: -59.926
bonds (distance) P-C4' energy: -73.007
flat angles C4'-P-C4' energy: -62.456
flat angles P-C4'-P energy: -36.629
tors. eta vs tors. theta energy: -26.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 107
Temperature: 1.200000
Total energy: -341.731190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.731190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.731190 (E_RNA)
where:
Base-Base interactions energy: -121.247
where: short stacking energy: -105.716
Base-Backbone interact. energy: -1.166
local terms energy: -219.318513
where:
bonds (distance) C4'-P energy: -64.867
bonds (distance) P-C4' energy: -75.516
flat angles C4'-P-C4' energy: -36.100
flat angles P-C4'-P energy: -33.681
tors. eta vs tors. theta energy: -9.154
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 107
Temperature: 1.250000
Total energy: -321.505718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.505718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.505718 (E_RNA)
where:
Base-Base interactions energy: -111.418
where: short stacking energy: -87.843
Base-Backbone interact. energy: 1.810
local terms energy: -211.897783
where:
bonds (distance) C4'-P energy: -63.163
bonds (distance) P-C4' energy: -59.390
flat angles C4'-P-C4' energy: -55.603
flat angles P-C4'-P energy: -36.412
tors. eta vs tors. theta energy: 2.671
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 107
Temperature: 1.300000
Total energy: -297.442324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.442324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.442324 (E_RNA)
where:
Base-Base interactions energy: -99.112
where: short stacking energy: -84.035
Base-Backbone interact. energy: -1.478
local terms energy: -196.852860
where:
bonds (distance) C4'-P energy: -58.590
bonds (distance) P-C4' energy: -67.909
flat angles C4'-P-C4' energy: -47.222
flat angles P-C4'-P energy: -35.674
tors. eta vs tors. theta energy: 12.542
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 107
Temperature: 1.350000
Total energy: -289.320356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.320356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.320356 (E_RNA)
where:
Base-Base interactions energy: -102.315
where: short stacking energy: -83.197
Base-Backbone interact. energy: -0.267
local terms energy: -186.737918
where:
bonds (distance) C4'-P energy: -55.647
bonds (distance) P-C4' energy: -57.826
flat angles C4'-P-C4' energy: -45.736
flat angles P-C4'-P energy: -29.793
tors. eta vs tors. theta energy: 2.264
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 108
Temperature: 0.900000
Total energy: -1090.406983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1090.406983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1090.406983 (E_RNA)
where:
Base-Base interactions energy: -708.385
where: short stacking energy: -314.055
Base-Backbone interact. energy: -2.021
local terms energy: -380.001389
where:
bonds (distance) C4'-P energy: -69.753
bonds (distance) P-C4' energy: -68.997
flat angles C4'-P-C4' energy: -76.305
flat angles P-C4'-P energy: -59.722
tors. eta vs tors. theta energy: -105.225
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: 108
Temperature: 0.950000
Total energy: -1003.178920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1003.178920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1003.178920 (E_RNA)
where:
Base-Base interactions energy: -671.224
where: short stacking energy: -290.725
Base-Backbone interact. energy: 1.921
local terms energy: -333.876036
where:
bonds (distance) C4'-P energy: -65.356
bonds (distance) P-C4' energy: -69.033
flat angles C4'-P-C4' energy: -64.720
flat angles P-C4'-P energy: -40.191
tors. eta vs tors. theta energy: -94.577
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: 108
Temperature: 1.000000
Total energy: -914.386325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -914.386325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -914.386325 (E_RNA)
where:
Base-Base interactions energy: -606.199
where: short stacking energy: -246.201
Base-Backbone interact. energy: -2.678
local terms energy: -305.509241
where:
bonds (distance) C4'-P energy: -62.967
bonds (distance) P-C4' energy: -64.627
flat angles C4'-P-C4' energy: -69.730
flat angles P-C4'-P energy: -43.087
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: 4, replica: 5
=====================================
Write number: 108
Temperature: 1.050000
Total energy: -810.800206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -810.800206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -810.800206 (E_RNA)
where:
Base-Base interactions energy: -490.597
where: short stacking energy: -245.135
Base-Backbone interact. energy: -0.504
local terms energy: -319.699473
where:
bonds (distance) C4'-P energy: -65.525
bonds (distance) P-C4' energy: -61.847
flat angles C4'-P-C4' energy: -65.071
flat angles P-C4'-P energy: -52.199
tors. eta vs tors. theta energy: -75.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 108
Temperature: 1.100000
Total energy: -703.158917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -703.158917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -703.158917 (E_RNA)
where:
Base-Base interactions energy: -405.197
where: short stacking energy: -224.849
Base-Backbone interact. energy: -2.590
local terms energy: -295.371600
where:
bonds (distance) C4'-P energy: -68.648
bonds (distance) P-C4' energy: -54.520
flat angles C4'-P-C4' energy: -68.666
flat angles P-C4'-P energy: -40.575
tors. eta vs tors. theta energy: -62.962
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 108
Temperature: 1.150000
Total energy: -563.720124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -563.720124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -563.720124 (E_RNA)
where:
Base-Base interactions energy: -305.055
where: short stacking energy: -133.611
Base-Backbone interact. energy: -0.764
local terms energy: -257.901472
where:
bonds (distance) C4'-P energy: -70.346
bonds (distance) P-C4' energy: -77.631
flat angles C4'-P-C4' energy: -55.770
flat angles P-C4'-P energy: -34.530
tors. eta vs tors. theta energy: -19.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 108
Temperature: 1.200000
Total energy: -362.746681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.746681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.746681 (E_RNA)
where:
Base-Base interactions energy: -157.488
where: short stacking energy: -123.313
Base-Backbone interact. energy: -0.571
local terms energy: -204.687158
where:
bonds (distance) C4'-P energy: -39.168
bonds (distance) P-C4' energy: -60.220
flat angles C4'-P-C4' energy: -54.283
flat angles P-C4'-P energy: -38.712
tors. eta vs tors. theta energy: -12.304
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: 10
=====================================
Write number: 108
Temperature: 1.250000
Total energy: -302.248791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.248791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.248791 (E_RNA)
where:
Base-Base interactions energy: -95.127
where: short stacking energy: -72.015
Base-Backbone interact. energy: 0.774
local terms energy: -207.896035
where:
bonds (distance) C4'-P energy: -62.559
bonds (distance) P-C4' energy: -59.765
flat angles C4'-P-C4' energy: -59.353
flat angles P-C4'-P energy: -31.575
tors. eta vs tors. theta energy: 5.356
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 108
Temperature: 1.300000
Total energy: -285.824300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.824300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.824300 (E_RNA)
where:
Base-Base interactions energy: -98.429
where: short stacking energy: -76.120
Base-Backbone interact. energy: 1.216
local terms energy: -188.611265
where:
bonds (distance) C4'-P energy: -64.010
bonds (distance) P-C4' energy: -63.290
flat angles C4'-P-C4' energy: -42.034
flat angles P-C4'-P energy: -32.374
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: 10, replica: 7
=====================================
Write number: 108
Temperature: 1.350000
Total energy: -272.621335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.621335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.621335 (E_RNA)
where:
Base-Base interactions energy: -94.100
where: short stacking energy: -76.825
Base-Backbone interact. energy: 5.710
local terms energy: -184.232126
where:
bonds (distance) C4'-P energy: -64.804
bonds (distance) P-C4' energy: -64.024
flat angles C4'-P-C4' energy: -37.219
flat angles P-C4'-P energy: -30.794
tors. eta vs tors. theta energy: 12.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 109
Temperature: 0.900000
Total energy: -1098.672731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1098.672731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1098.672731 (E_RNA)
where:
Base-Base interactions energy: -724.954
where: short stacking energy: -350.132
Base-Backbone interact. energy: 0.067
local terms energy: -373.785744
where:
bonds (distance) C4'-P energy: -62.943
bonds (distance) P-C4' energy: -73.762
flat angles C4'-P-C4' energy: -74.573
flat angles P-C4'-P energy: -54.703
tors. eta vs tors. theta energy: -107.805
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: 1
=====================================
Write number: 109
Temperature: 0.950000
Total energy: -983.343108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -983.343108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -983.343108 (E_RNA)
where:
Base-Base interactions energy: -642.003
where: short stacking energy: -296.163
Base-Backbone interact. energy: -2.029
local terms energy: -339.311678
where:
bonds (distance) C4'-P energy: -68.831
bonds (distance) P-C4' energy: -67.998
flat angles C4'-P-C4' energy: -62.942
flat angles P-C4'-P energy: -46.744
tors. eta vs tors. theta energy: -92.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 109
Temperature: 1.000000
Total energy: -876.983062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -876.983062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -876.983062 (E_RNA)
where:
Base-Base interactions energy: -550.412
where: short stacking energy: -258.693
Base-Backbone interact. energy: 5.124
local terms energy: -331.695120
where:
bonds (distance) C4'-P energy: -78.706
bonds (distance) P-C4' energy: -70.789
flat angles C4'-P-C4' energy: -69.227
flat angles P-C4'-P energy: -42.953
tors. eta vs tors. theta energy: -70.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 109
Temperature: 1.050000
Total energy: -859.828408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -859.828408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -859.828408 (E_RNA)
where:
Base-Base interactions energy: -565.058
where: short stacking energy: -239.502
Base-Backbone interact. energy: -1.269
local terms energy: -293.502214
where:
bonds (distance) C4'-P energy: -64.728
bonds (distance) P-C4' energy: -62.939
flat angles C4'-P-C4' energy: -60.182
flat angles P-C4'-P energy: -33.202
tors. eta vs tors. theta energy: -72.451
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: 2
=====================================
Write number: 109
Temperature: 1.100000
Total energy: -660.696459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -660.696459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -660.696459 (E_RNA)
where:
Base-Base interactions energy: -381.781
where: short stacking energy: -194.563
Base-Backbone interact. energy: -0.157
local terms energy: -278.758439
where:
bonds (distance) C4'-P energy: -64.151
bonds (distance) P-C4' energy: -58.065
flat angles C4'-P-C4' energy: -64.932
flat angles P-C4'-P energy: -42.711
tors. eta vs tors. theta energy: -48.899
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 109
Temperature: 1.150000
Total energy: -550.752909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -550.752909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -550.752909 (E_RNA)
where:
Base-Base interactions energy: -291.878
where: short stacking energy: -171.775
Base-Backbone interact. energy: -0.793
local terms energy: -258.081602
where:
bonds (distance) C4'-P energy: -61.278
bonds (distance) P-C4' energy: -66.717
flat angles C4'-P-C4' energy: -70.813
flat angles P-C4'-P energy: -32.367
tors. eta vs tors. theta energy: -26.905
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: 9
=====================================
Write number: 109
Temperature: 1.200000
Total energy: -372.440629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -372.440629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -372.440629 (E_RNA)
where:
Base-Base interactions energy: -150.745
where: short stacking energy: -117.522
Base-Backbone interact. energy: -2.117
local terms energy: -219.578568
where:
bonds (distance) C4'-P energy: -52.518
bonds (distance) P-C4' energy: -68.454
flat angles C4'-P-C4' energy: -56.760
flat angles P-C4'-P energy: -41.614
tors. eta vs tors. theta energy: -0.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 109
Temperature: 1.250000
Total energy: -311.069710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.069710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.069710 (E_RNA)
where:
Base-Base interactions energy: -105.051
where: short stacking energy: -85.017
Base-Backbone interact. energy: -1.373
local terms energy: -204.646352
where:
bonds (distance) C4'-P energy: -49.824
bonds (distance) P-C4' energy: -64.537
flat angles C4'-P-C4' energy: -52.980
flat angles P-C4'-P energy: -38.826
tors. eta vs tors. theta energy: 1.521
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 109
Temperature: 1.300000
Total energy: -285.985385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.985385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.985385 (E_RNA)
where:
Base-Base interactions energy: -108.029
where: short stacking energy: -84.512
Base-Backbone interact. energy: -0.781
local terms energy: -177.175171
where:
bonds (distance) C4'-P energy: -65.386
bonds (distance) P-C4' energy: -61.490
flat angles C4'-P-C4' energy: -39.031
flat angles P-C4'-P energy: -27.200
tors. eta vs tors. theta energy: 15.933
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 109
Temperature: 1.350000
Total energy: -266.205578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.205578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.205578 (E_RNA)
where:
Base-Base interactions energy: -80.412
where: short stacking energy: -67.988
Base-Backbone interact. energy: 4.389
local terms energy: -190.182612
where:
bonds (distance) C4'-P energy: -60.155
bonds (distance) P-C4' energy: -66.030
flat angles C4'-P-C4' energy: -39.842
flat angles P-C4'-P energy: -26.922
tors. eta vs tors. theta energy: 2.767
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 110
Temperature: 0.900000
Total energy: -1095.702558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1095.702558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1095.702558 (E_RNA)
where:
Base-Base interactions energy: -716.880
where: short stacking energy: -335.868
Base-Backbone interact. energy: -1.069
local terms energy: -377.753755
where:
bonds (distance) C4'-P energy: -69.892
bonds (distance) P-C4' energy: -63.372
flat angles C4'-P-C4' energy: -76.962
flat angles P-C4'-P energy: -56.774
tors. eta vs tors. theta energy: -110.754
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 110
Temperature: 0.950000
Total energy: -1044.186724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1044.186724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1044.186724 (E_RNA)
where:
Base-Base interactions energy: -680.975
where: short stacking energy: -316.103
Base-Backbone interact. energy: 1.422
local terms energy: -364.633542
where:
bonds (distance) C4'-P energy: -69.110
bonds (distance) P-C4' energy: -65.538
flat angles C4'-P-C4' energy: -78.441
flat angles P-C4'-P energy: -48.127
tors. eta vs tors. theta energy: -103.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 110
Temperature: 1.000000
Total energy: -925.496533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -925.496533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -925.496533 (E_RNA)
where:
Base-Base interactions energy: -582.669
where: short stacking energy: -252.688
Base-Backbone interact. energy: -1.886
local terms energy: -340.940880
where:
bonds (distance) C4'-P energy: -71.001
bonds (distance) P-C4' energy: -71.812
flat angles C4'-P-C4' energy: -69.021
flat angles P-C4'-P energy: -52.574
tors. eta vs tors. theta energy: -76.533
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 110
Temperature: 1.050000
Total energy: -850.230842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -850.230842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -850.230842 (E_RNA)
where:
Base-Base interactions energy: -546.178
where: short stacking energy: -243.803
Base-Backbone interact. energy: -1.065
local terms energy: -302.987159
where:
bonds (distance) C4'-P energy: -62.299
bonds (distance) P-C4' energy: -59.731
flat angles C4'-P-C4' energy: -70.842
flat angles P-C4'-P energy: -47.239
tors. eta vs tors. theta energy: -62.876
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 110
Temperature: 1.100000
Total energy: -626.542464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -626.542464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -626.542464 (E_RNA)
where:
Base-Base interactions energy: -348.592
where: short stacking energy: -187.110
Base-Backbone interact. energy: -1.709
local terms energy: -276.241589
where:
bonds (distance) C4'-P energy: -59.622
bonds (distance) P-C4' energy: -63.923
flat angles C4'-P-C4' energy: -66.269
flat angles P-C4'-P energy: -37.390
tors. eta vs tors. theta energy: -49.037
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: 6
=====================================
Write number: 110
Temperature: 1.150000
Total energy: -548.139324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.139324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.139324 (E_RNA)
where:
Base-Base interactions energy: -305.379
where: short stacking energy: -183.205
Base-Backbone interact. energy: -0.392
local terms energy: -242.368240
where:
bonds (distance) C4'-P energy: -68.431
bonds (distance) P-C4' energy: -64.137
flat angles C4'-P-C4' energy: -58.505
flat angles P-C4'-P energy: -13.951
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: 7, replica: 8
=====================================
Write number: 110
Temperature: 1.200000
Total energy: -333.532826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.532826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.532826 (E_RNA)
where:
Base-Base interactions energy: -123.548
where: short stacking energy: -111.765
Base-Backbone interact. energy: -1.680
local terms energy: -208.305254
where:
bonds (distance) C4'-P energy: -61.597
bonds (distance) P-C4' energy: -66.873
flat angles C4'-P-C4' energy: -46.002
flat angles P-C4'-P energy: -28.393
tors. eta vs tors. theta energy: -5.441
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: 9
=====================================
Write number: 110
Temperature: 1.250000
Total energy: -326.063296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.063296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.063296 (E_RNA)
where:
Base-Base interactions energy: -110.905
where: short stacking energy: -93.127
Base-Backbone interact. energy: -1.637
local terms energy: -213.521981
where:
bonds (distance) C4'-P energy: -62.960
bonds (distance) P-C4' energy: -61.688
flat angles C4'-P-C4' energy: -53.894
flat angles P-C4'-P energy: -33.978
tors. eta vs tors. theta energy: -1.002
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: 7
=====================================
Write number: 110
Temperature: 1.300000
Total energy: -296.608049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.608049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.608049 (E_RNA)
where:
Base-Base interactions energy: -118.018
where: short stacking energy: -71.181
Base-Backbone interact. energy: 0.909
local terms energy: -179.499423
where:
bonds (distance) C4'-P energy: -48.561
bonds (distance) P-C4' energy: -62.536
flat angles C4'-P-C4' energy: -43.521
flat angles P-C4'-P energy: -41.727
tors. eta vs tors. theta energy: 16.846
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 110
Temperature: 1.350000
Total energy: -274.257830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.257830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.257830 (E_RNA)
where:
Base-Base interactions energy: -101.154
where: short stacking energy: -77.316
Base-Backbone interact. energy: 8.273
local terms energy: -181.377048
where:
bonds (distance) C4'-P energy: -50.447
bonds (distance) P-C4' energy: -55.301
flat angles C4'-P-C4' energy: -56.702
flat angles P-C4'-P energy: -30.853
tors. eta vs tors. theta energy: 11.926
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: 4
=====================================
Write number: 111
Temperature: 0.900000
Total energy: -1068.149349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1068.149349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1068.149349 (E_RNA)
where:
Base-Base interactions energy: -701.875
where: short stacking energy: -300.938
Base-Backbone interact. energy: -1.655
local terms energy: -364.619723
where:
bonds (distance) C4'-P energy: -69.890
bonds (distance) P-C4' energy: -71.820
flat angles C4'-P-C4' energy: -78.930
flat angles P-C4'-P energy: -44.062
tors. eta vs tors. theta energy: -99.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 111
Temperature: 0.950000
Total energy: -1036.408220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1036.408220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1036.408220 (E_RNA)
where:
Base-Base interactions energy: -670.237
where: short stacking energy: -300.927
Base-Backbone interact. energy: -0.506
local terms energy: -365.665054
where:
bonds (distance) C4'-P energy: -68.896
bonds (distance) P-C4' energy: -75.201
flat angles C4'-P-C4' energy: -77.147
flat angles P-C4'-P energy: -47.356
tors. eta vs tors. theta energy: -97.066
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: 3, replica: 5
=====================================
Write number: 111
Temperature: 1.000000
Total energy: -942.283347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -942.283347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -942.283347 (E_RNA)
where:
Base-Base interactions energy: -597.042
where: short stacking energy: -279.302
Base-Backbone interact. energy: -1.504
local terms energy: -343.737296
where:
bonds (distance) C4'-P energy: -70.170
bonds (distance) P-C4' energy: -57.614
flat angles C4'-P-C4' energy: -74.301
flat angles P-C4'-P energy: -48.348
tors. eta vs tors. theta energy: -93.303
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 111
Temperature: 1.050000
Total energy: -808.276397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -808.276397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -808.276397 (E_RNA)
where:
Base-Base interactions energy: -516.162
where: short stacking energy: -229.324
Base-Backbone interact. energy: -2.756
local terms energy: -289.358389
where:
bonds (distance) C4'-P energy: -46.293
bonds (distance) P-C4' energy: -70.591
flat angles C4'-P-C4' energy: -74.075
flat angles P-C4'-P energy: -36.895
tors. eta vs tors. theta energy: -61.504
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 111
Temperature: 1.100000
Total energy: -633.973915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -633.973915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -633.973915 (E_RNA)
where:
Base-Base interactions energy: -365.495
where: short stacking energy: -167.554
Base-Backbone interact. energy: -1.483
local terms energy: -266.995851
where:
bonds (distance) C4'-P energy: -69.023
bonds (distance) P-C4' energy: -61.654
flat angles C4'-P-C4' energy: -55.037
flat angles P-C4'-P energy: -43.338
tors. eta vs tors. theta energy: -37.944
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: 6
=====================================
Write number: 111
Temperature: 1.150000
Total energy: -514.968020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.968020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.968020 (E_RNA)
where:
Base-Base interactions energy: -270.282
where: short stacking energy: -144.571
Base-Backbone interact. energy: -0.053
local terms energy: -244.632856
where:
bonds (distance) C4'-P energy: -58.044
bonds (distance) P-C4' energy: -62.322
flat angles C4'-P-C4' energy: -64.641
flat angles P-C4'-P energy: -31.409
tors. eta vs tors. theta energy: -28.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 111
Temperature: 1.200000
Total energy: -352.563722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.563722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.563722 (E_RNA)
where:
Base-Base interactions energy: -121.006
where: short stacking energy: -97.374
Base-Backbone interact. energy: 2.266
local terms energy: -233.824204
where:
bonds (distance) C4'-P energy: -54.312
bonds (distance) P-C4' energy: -64.823
flat angles C4'-P-C4' energy: -58.190
flat angles P-C4'-P energy: -46.452
tors. eta vs tors. theta energy: -10.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 111
Temperature: 1.250000
Total energy: -333.346290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.346290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.346290 (E_RNA)
where:
Base-Base interactions energy: -123.777
where: short stacking energy: -96.889
Base-Backbone interact. energy: -1.112
local terms energy: -208.457373
where:
bonds (distance) C4'-P energy: -63.077
bonds (distance) P-C4' energy: -58.905
flat angles C4'-P-C4' energy: -52.037
flat angles P-C4'-P energy: -32.691
tors. eta vs tors. theta energy: -1.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 111
Temperature: 1.300000
Total energy: -304.260091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.260091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.260091 (E_RNA)
where:
Base-Base interactions energy: -97.985
where: short stacking energy: -81.957
Base-Backbone interact. energy: 4.042
local terms energy: -210.317598
where:
bonds (distance) C4'-P energy: -67.532
bonds (distance) P-C4' energy: -64.613
flat angles C4'-P-C4' energy: -63.626
flat angles P-C4'-P energy: -27.403
tors. eta vs tors. theta energy: 12.856
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: 10
=====================================
Write number: 111
Temperature: 1.350000
Total energy: -276.213798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.213798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.213798 (E_RNA)
where:
Base-Base interactions energy: -79.059
where: short stacking energy: -69.263
Base-Backbone interact. energy: -0.888
local terms energy: -196.267378
where:
bonds (distance) C4'-P energy: -62.804
bonds (distance) P-C4' energy: -64.562
flat angles C4'-P-C4' energy: -47.426
flat angles P-C4'-P energy: -34.877
tors. eta vs tors. theta energy: 13.402
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 112
Temperature: 0.900000
Total energy: -1116.447131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1116.447131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1116.447131 (E_RNA)
where:
Base-Base interactions energy: -761.020
where: short stacking energy: -344.784
Base-Backbone interact. energy: 4.583
local terms energy: -360.010343
where:
bonds (distance) C4'-P energy: -75.634
bonds (distance) P-C4' energy: -55.325
flat angles C4'-P-C4' energy: -67.906
flat angles P-C4'-P energy: -53.300
tors. eta vs tors. theta energy: -107.846
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: 1
=====================================
Write number: 112
Temperature: 0.950000
Total energy: -1026.384433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1026.384433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1026.384433 (E_RNA)
where:
Base-Base interactions energy: -666.762
where: short stacking energy: -298.505
Base-Backbone interact. energy: -0.325
local terms energy: -359.297328
where:
bonds (distance) C4'-P energy: -70.968
bonds (distance) P-C4' energy: -69.976
flat angles C4'-P-C4' energy: -70.501
flat angles P-C4'-P energy: -48.619
tors. eta vs tors. theta energy: -99.234
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 112
Temperature: 1.000000
Total energy: -925.396970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -925.396970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -925.396970 (E_RNA)
where:
Base-Base interactions energy: -593.319
where: short stacking energy: -281.633
Base-Backbone interact. energy: 1.398
local terms energy: -333.476232
where:
bonds (distance) C4'-P energy: -52.915
bonds (distance) P-C4' energy: -70.011
flat angles C4'-P-C4' energy: -66.941
flat angles P-C4'-P energy: -53.521
tors. eta vs tors. theta energy: -90.088
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: 3
=====================================
Write number: 112
Temperature: 1.050000
Total energy: -810.253090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -810.253090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -810.253090 (E_RNA)
where:
Base-Base interactions energy: -537.519
where: short stacking energy: -229.128
Base-Backbone interact. energy: -2.442
local terms energy: -270.292533
where:
bonds (distance) C4'-P energy: -49.732
bonds (distance) P-C4' energy: -59.009
flat angles C4'-P-C4' energy: -58.333
flat angles P-C4'-P energy: -37.771
tors. eta vs tors. theta energy: -65.446
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 112
Temperature: 1.100000
Total energy: -658.452401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -658.452401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -658.452401 (E_RNA)
where:
Base-Base interactions energy: -364.297
where: short stacking energy: -189.625
Base-Backbone interact. energy: -0.333
local terms energy: -293.822988
where:
bonds (distance) C4'-P energy: -67.536
bonds (distance) P-C4' energy: -75.306
flat angles C4'-P-C4' energy: -61.816
flat angles P-C4'-P energy: -43.844
tors. eta vs tors. theta energy: -45.321
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: 6, replica: 6
=====================================
Write number: 112
Temperature: 1.150000
Total energy: -549.704016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.704016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.704016 (E_RNA)
where:
Base-Base interactions energy: -298.476
where: short stacking energy: -176.908
Base-Backbone interact. energy: 0.549
local terms energy: -251.777388
where:
bonds (distance) C4'-P energy: -52.779
bonds (distance) P-C4' energy: -66.266
flat angles C4'-P-C4' energy: -56.651
flat angles P-C4'-P energy: -40.641
tors. eta vs tors. theta energy: -35.441
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: 7
=====================================
Write number: 112
Temperature: 1.200000
Total energy: -326.967796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.967796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.967796 (E_RNA)
where:
Base-Base interactions energy: -106.768
where: short stacking energy: -89.585
Base-Backbone interact. energy: -1.609
local terms energy: -218.590856
where:
bonds (distance) C4'-P energy: -70.497
bonds (distance) P-C4' energy: -71.350
flat angles C4'-P-C4' energy: -40.481
flat angles P-C4'-P energy: -37.164
tors. eta vs tors. theta energy: 0.901
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 112
Temperature: 1.250000
Total energy: -314.637325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.637325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.637325 (E_RNA)
where:
Base-Base interactions energy: -112.157
where: short stacking energy: -91.583
Base-Backbone interact. energy: 0.839
local terms energy: -203.318653
where:
bonds (distance) C4'-P energy: -62.611
bonds (distance) P-C4' energy: -51.956
flat angles C4'-P-C4' energy: -61.104
flat angles P-C4'-P energy: -33.052
tors. eta vs tors. theta energy: 5.404
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 112
Temperature: 1.300000
Total energy: -276.064630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.064630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.064630 (E_RNA)
where:
Base-Base interactions energy: -84.302
where: short stacking energy: -71.193
Base-Backbone interact. energy: -0.918
local terms energy: -190.844510
where:
bonds (distance) C4'-P energy: -53.766
bonds (distance) P-C4' energy: -61.663
flat angles C4'-P-C4' energy: -44.509
flat angles P-C4'-P energy: -37.375
tors. eta vs tors. theta energy: 6.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 112
Temperature: 1.350000
Total energy: -295.249275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.249275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.249275 (E_RNA)
where:
Base-Base interactions energy: -95.252
where: short stacking energy: -81.144
Base-Backbone interact. energy: -0.589
local terms energy: -199.409216
where:
bonds (distance) C4'-P energy: -62.342
bonds (distance) P-C4' energy: -59.255
flat angles C4'-P-C4' energy: -36.614
flat angles P-C4'-P energy: -35.310
tors. eta vs tors. theta energy: -5.887
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: 4
=====================================
Write number: 113
Temperature: 0.900000
Total energy: -1109.400537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1109.400537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1109.400537 (E_RNA)
where:
Base-Base interactions energy: -735.275
where: short stacking energy: -328.533
Base-Backbone interact. energy: -0.338
local terms energy: -373.787734
where:
bonds (distance) C4'-P energy: -67.321
bonds (distance) P-C4' energy: -67.699
flat angles C4'-P-C4' energy: -72.007
flat angles P-C4'-P energy: -52.715
tors. eta vs tors. theta energy: -114.045
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 113
Temperature: 0.950000
Total energy: -1016.556193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1016.556193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1016.556193 (E_RNA)
where:
Base-Base interactions energy: -669.525
where: short stacking energy: -293.184
Base-Backbone interact. energy: -1.994
local terms energy: -345.037719
where:
bonds (distance) C4'-P energy: -61.419
bonds (distance) P-C4' energy: -74.558
flat angles C4'-P-C4' energy: -72.696
flat angles P-C4'-P energy: -46.670
tors. eta vs tors. theta energy: -89.695
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 113
Temperature: 1.000000
Total energy: -914.620265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -914.620265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -914.620265 (E_RNA)
where:
Base-Base interactions energy: -574.399
where: short stacking energy: -284.635
Base-Backbone interact. energy: -0.486
local terms energy: -339.735555
where:
bonds (distance) C4'-P energy: -62.504
bonds (distance) P-C4' energy: -60.995
flat angles C4'-P-C4' energy: -79.428
flat angles P-C4'-P energy: -51.280
tors. eta vs tors. theta energy: -85.529
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 113
Temperature: 1.050000
Total energy: -871.968989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -871.968989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -871.968989 (E_RNA)
where:
Base-Base interactions energy: -560.615
where: short stacking energy: -234.712
Base-Backbone interact. energy: -2.158
local terms energy: -309.196235
where:
bonds (distance) C4'-P energy: -71.605
bonds (distance) P-C4' energy: -59.250
flat angles C4'-P-C4' energy: -66.662
flat angles P-C4'-P energy: -44.663
tors. eta vs tors. theta energy: -67.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 113
Temperature: 1.100000
Total energy: -683.785884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -683.785884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -683.785884 (E_RNA)
where:
Base-Base interactions energy: -429.553
where: short stacking energy: -212.630
Base-Backbone interact. energy: -1.866
local terms energy: -252.367304
where:
bonds (distance) C4'-P energy: -56.121
bonds (distance) P-C4' energy: -57.190
flat angles C4'-P-C4' energy: -65.376
flat angles P-C4'-P energy: -29.084
tors. eta vs tors. theta energy: -44.597
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: 6
=====================================
Write number: 113
Temperature: 1.150000
Total energy: -578.798752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -578.798752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -578.798752 (E_RNA)
where:
Base-Base interactions energy: -325.729
where: short stacking energy: -142.127
Base-Backbone interact. energy: 2.011
local terms energy: -255.080297
where:
bonds (distance) C4'-P energy: -55.097
bonds (distance) P-C4' energy: -61.582
flat angles C4'-P-C4' energy: -64.258
flat angles P-C4'-P energy: -36.766
tors. eta vs tors. theta energy: -37.377
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: 7
=====================================
Write number: 113
Temperature: 1.200000
Total energy: -338.218094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.218094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.218094 (E_RNA)
where:
Base-Base interactions energy: -128.727
where: short stacking energy: -103.152
Base-Backbone interact. energy: -0.558
local terms energy: -208.933688
where:
bonds (distance) C4'-P energy: -55.416
bonds (distance) P-C4' energy: -48.599
flat angles C4'-P-C4' energy: -65.637
flat angles P-C4'-P energy: -39.054
tors. eta vs tors. theta energy: -0.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 113
Temperature: 1.250000
Total energy: -311.371435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.371435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.371435 (E_RNA)
where:
Base-Base interactions energy: -130.966
where: short stacking energy: -113.405
Base-Backbone interact. energy: 0.822
local terms energy: -181.227308
where:
bonds (distance) C4'-P energy: -49.660
bonds (distance) P-C4' energy: -62.985
flat angles C4'-P-C4' energy: -46.632
flat angles P-C4'-P energy: -24.140
tors. eta vs tors. theta energy: 2.190
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 113
Temperature: 1.300000
Total energy: -292.924693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.924693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.924693 (E_RNA)
where:
Base-Base interactions energy: -106.132
where: short stacking energy: -74.777
Base-Backbone interact. energy: -0.797
local terms energy: -185.995452
where:
bonds (distance) C4'-P energy: -65.600
bonds (distance) P-C4' energy: -50.489
flat angles C4'-P-C4' energy: -53.085
flat angles P-C4'-P energy: -27.266
tors. eta vs tors. theta energy: 10.444
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 113
Temperature: 1.350000
Total energy: -266.580104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.580104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.580104 (E_RNA)
where:
Base-Base interactions energy: -79.028
where: short stacking energy: -58.363
Base-Backbone interact. energy: -4.536
local terms energy: -183.016829
where:
bonds (distance) C4'-P energy: -65.904
bonds (distance) P-C4' energy: -57.397
flat angles C4'-P-C4' energy: -51.712
flat angles P-C4'-P energy: -27.122
tors. eta vs tors. theta energy: 19.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 114
Temperature: 0.900000
Total energy: -1105.310238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1105.310238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1105.310238 (E_RNA)
where:
Base-Base interactions energy: -726.252
where: short stacking energy: -341.859
Base-Backbone interact. energy: -0.490
local terms energy: -378.568291
where:
bonds (distance) C4'-P energy: -66.244
bonds (distance) P-C4' energy: -64.189
flat angles C4'-P-C4' energy: -79.073
flat angles P-C4'-P energy: -54.527
tors. eta vs tors. theta energy: -114.535
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: 114
Temperature: 0.950000
Total energy: -984.584108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -984.584108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -984.584108 (E_RNA)
where:
Base-Base interactions energy: -642.037
where: short stacking energy: -287.803
Base-Backbone interact. energy: -1.477
local terms energy: -341.070673
where:
bonds (distance) C4'-P energy: -78.292
bonds (distance) P-C4' energy: -71.112
flat angles C4'-P-C4' energy: -66.657
flat angles P-C4'-P energy: -38.006
tors. eta vs tors. theta energy: -87.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 114
Temperature: 1.000000
Total energy: -908.410549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -908.410549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -908.410549 (E_RNA)
where:
Base-Base interactions energy: -577.789
where: short stacking energy: -277.532
Base-Backbone interact. energy: -2.911
local terms energy: -327.710831
where:
bonds (distance) C4'-P energy: -61.630
bonds (distance) P-C4' energy: -63.624
flat angles C4'-P-C4' energy: -73.904
flat angles P-C4'-P energy: -44.780
tors. eta vs tors. theta energy: -83.773
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: 3
=====================================
Write number: 114
Temperature: 1.050000
Total energy: -854.246657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -854.246657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -854.246657 (E_RNA)
where:
Base-Base interactions energy: -549.358
where: short stacking energy: -252.992
Base-Backbone interact. energy: -1.311
local terms energy: -303.577936
where:
bonds (distance) C4'-P energy: -57.285
bonds (distance) P-C4' energy: -63.056
flat angles C4'-P-C4' energy: -73.537
flat angles P-C4'-P energy: -39.674
tors. eta vs tors. theta energy: -70.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 114
Temperature: 1.100000
Total energy: -687.473400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -687.473400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -687.473400 (E_RNA)
where:
Base-Base interactions energy: -404.900
where: short stacking energy: -190.289
Base-Backbone interact. energy: 1.549
local terms energy: -284.122824
where:
bonds (distance) C4'-P energy: -46.549
bonds (distance) P-C4' energy: -64.944
flat angles C4'-P-C4' energy: -66.067
flat angles P-C4'-P energy: -52.791
tors. eta vs tors. theta energy: -53.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 114
Temperature: 1.150000
Total energy: -552.629612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.629612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.629612 (E_RNA)
where:
Base-Base interactions energy: -307.933
where: short stacking energy: -170.377
Base-Backbone interact. energy: -1.837
local terms energy: -242.859565
where:
bonds (distance) C4'-P energy: -50.349
bonds (distance) P-C4' energy: -60.481
flat angles C4'-P-C4' energy: -55.059
flat angles P-C4'-P energy: -44.980
tors. eta vs tors. theta energy: -31.990
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 114
Temperature: 1.200000
Total energy: -366.951188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.951188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.951188 (E_RNA)
where:
Base-Base interactions energy: -149.856
where: short stacking energy: -99.303
Base-Backbone interact. energy: -2.890
local terms energy: -214.204693
where:
bonds (distance) C4'-P energy: -56.053
bonds (distance) P-C4' energy: -60.127
flat angles C4'-P-C4' energy: -58.745
flat angles P-C4'-P energy: -37.983
tors. eta vs tors. theta energy: -1.297
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: 7
=====================================
Write number: 114
Temperature: 1.250000
Total energy: -316.076440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.076440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.076440 (E_RNA)
where:
Base-Base interactions energy: -112.741
where: short stacking energy: -80.595
Base-Backbone interact. energy: 0.595
local terms energy: -203.930481
where:
bonds (distance) C4'-P energy: -60.459
bonds (distance) P-C4' energy: -58.575
flat angles C4'-P-C4' energy: -56.576
flat angles P-C4'-P energy: -32.454
tors. eta vs tors. theta energy: 4.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 114
Temperature: 1.300000
Total energy: -281.541493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.541493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.541493 (E_RNA)
where:
Base-Base interactions energy: -90.868
where: short stacking energy: -87.796
Base-Backbone interact. energy: 3.119
local terms energy: -193.792892
where:
bonds (distance) C4'-P energy: -70.727
bonds (distance) P-C4' energy: -59.104
flat angles C4'-P-C4' energy: -48.026
flat angles P-C4'-P energy: -26.509
tors. eta vs tors. theta energy: 10.573
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 114
Temperature: 1.350000
Total energy: -277.177144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.177144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.177144 (E_RNA)
where:
Base-Base interactions energy: -97.238
where: short stacking energy: -79.133
Base-Backbone interact. energy: 0.801
local terms energy: -180.739452
where:
bonds (distance) C4'-P energy: -49.577
bonds (distance) P-C4' energy: -63.234
flat angles C4'-P-C4' energy: -54.208
flat angles P-C4'-P energy: -23.370
tors. eta vs tors. theta energy: 9.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 115
Temperature: 0.900000
Total energy: -1123.638722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1123.638722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1123.638722 (E_RNA)
where:
Base-Base interactions energy: -754.253
where: short stacking energy: -344.744
Base-Backbone interact. energy: -1.370
local terms energy: -368.015507
where:
bonds (distance) C4'-P energy: -67.419
bonds (distance) P-C4' energy: -62.594
flat angles C4'-P-C4' energy: -78.466
flat angles P-C4'-P energy: -46.314
tors. eta vs tors. theta energy: -113.223
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 115
Temperature: 0.950000
Total energy: -1010.103473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1010.103473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1010.103473 (E_RNA)
where:
Base-Base interactions energy: -671.156
where: short stacking energy: -301.968
Base-Backbone interact. energy: 0.495
local terms energy: -339.442295
where:
bonds (distance) C4'-P energy: -68.226
bonds (distance) P-C4' energy: -70.676
flat angles C4'-P-C4' energy: -69.062
flat angles P-C4'-P energy: -40.841
tors. eta vs tors. theta energy: -90.636
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: 5
=====================================
Write number: 115
Temperature: 1.000000
Total energy: -915.247059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -915.247059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -915.247059 (E_RNA)
where:
Base-Base interactions energy: -582.147
where: short stacking energy: -268.903
Base-Backbone interact. energy: 0.380
local terms energy: -333.479137
where:
bonds (distance) C4'-P energy: -60.688
bonds (distance) P-C4' energy: -63.793
flat angles C4'-P-C4' energy: -75.035
flat angles P-C4'-P energy: -53.963
tors. eta vs tors. theta energy: -80.000
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: 3
=====================================
Write number: 115
Temperature: 1.050000
Total energy: -822.278026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -822.278026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -822.278026 (E_RNA)
where:
Base-Base interactions energy: -520.570
where: short stacking energy: -246.679
Base-Backbone interact. energy: -0.843
local terms energy: -300.864846
where:
bonds (distance) C4'-P energy: -59.744
bonds (distance) P-C4' energy: -69.137
flat angles C4'-P-C4' energy: -64.898
flat angles P-C4'-P energy: -45.017
tors. eta vs tors. theta energy: -62.069
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: 5, replica: 2
=====================================
Write number: 115
Temperature: 1.100000
Total energy: -672.697384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -672.697384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -672.697384 (E_RNA)
where:
Base-Base interactions energy: -386.105
where: short stacking energy: -197.104
Base-Backbone interact. energy: 1.152
local terms energy: -287.744719
where:
bonds (distance) C4'-P energy: -59.204
bonds (distance) P-C4' energy: -69.588
flat angles C4'-P-C4' energy: -62.078
flat angles P-C4'-P energy: -41.332
tors. eta vs tors. theta energy: -55.544
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: 6
=====================================
Write number: 115
Temperature: 1.150000
Total energy: -570.090839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -570.090839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -570.090839 (E_RNA)
where:
Base-Base interactions energy: -326.564
where: short stacking energy: -175.729
Base-Backbone interact. energy: 0.987
local terms energy: -244.513918
where:
bonds (distance) C4'-P energy: -57.619
bonds (distance) P-C4' energy: -68.541
flat angles C4'-P-C4' energy: -49.785
flat angles P-C4'-P energy: -28.226
tors. eta vs tors. theta energy: -40.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 115
Temperature: 1.200000
Total energy: -325.590155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.590155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.590155 (E_RNA)
where:
Base-Base interactions energy: -113.465
where: short stacking energy: -79.153
Base-Backbone interact. energy: -0.572
local terms energy: -211.553296
where:
bonds (distance) C4'-P energy: -56.208
bonds (distance) P-C4' energy: -59.888
flat angles C4'-P-C4' energy: -57.967
flat angles P-C4'-P energy: -42.578
tors. eta vs tors. theta energy: 5.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 115
Temperature: 1.250000
Total energy: -339.897096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.897096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.897096 (E_RNA)
where:
Base-Base interactions energy: -114.005
where: short stacking energy: -90.452
Base-Backbone interact. energy: -2.494
local terms energy: -223.397918
where:
bonds (distance) C4'-P energy: -57.101
bonds (distance) P-C4' energy: -73.002
flat angles C4'-P-C4' energy: -60.713
flat angles P-C4'-P energy: -37.531
tors. eta vs tors. theta energy: 4.949
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 115
Temperature: 1.300000
Total energy: -298.032864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.032864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.032864 (E_RNA)
where:
Base-Base interactions energy: -120.526
where: short stacking energy: -93.414
Base-Backbone interact. energy: -1.686
local terms energy: -175.821145
where:
bonds (distance) C4'-P energy: -56.966
bonds (distance) P-C4' energy: -40.636
flat angles C4'-P-C4' energy: -46.299
flat angles P-C4'-P energy: -30.651
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: 8
=====================================
Write number: 115
Temperature: 1.350000
Total energy: -266.587241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.587241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.587241 (E_RNA)
where:
Base-Base interactions energy: -81.139
where: short stacking energy: -75.080
Base-Backbone interact. energy: -0.928
local terms energy: -184.519870
where:
bonds (distance) C4'-P energy: -60.917
bonds (distance) P-C4' energy: -63.864
flat angles C4'-P-C4' energy: -56.602
flat angles P-C4'-P energy: -20.528
tors. eta vs tors. theta energy: 17.391
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: 1, replica: 4
=====================================
Write number: 116
Temperature: 0.900000
Total energy: -1107.223806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1107.223806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1107.223806 (E_RNA)
where:
Base-Base interactions energy: -727.426
where: short stacking energy: -336.592
Base-Backbone interact. energy: 0.091
local terms energy: -379.888816
where:
bonds (distance) C4'-P energy: -61.038
bonds (distance) P-C4' energy: -75.372
flat angles C4'-P-C4' energy: -75.006
flat angles P-C4'-P energy: -54.665
tors. eta vs tors. theta energy: -113.809
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: 2, replica: 1
=====================================
Write number: 116
Temperature: 0.950000
Total energy: -1004.159042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1004.159042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1004.159042 (E_RNA)
where:
Base-Base interactions energy: -667.452
where: short stacking energy: -300.165
Base-Backbone interact. energy: -0.239
local terms energy: -336.468670
where:
bonds (distance) C4'-P energy: -62.889
bonds (distance) P-C4' energy: -71.234
flat angles C4'-P-C4' energy: -63.021
flat angles P-C4'-P energy: -45.813
tors. eta vs tors. theta energy: -93.512
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 116
Temperature: 1.000000
Total energy: -910.882749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -910.882749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -910.882749 (E_RNA)
where:
Base-Base interactions energy: -573.766
where: short stacking energy: -270.614
Base-Backbone interact. energy: -0.232
local terms energy: -336.885293
where:
bonds (distance) C4'-P energy: -67.685
bonds (distance) P-C4' energy: -51.010
flat angles C4'-P-C4' energy: -81.898
flat angles P-C4'-P energy: -50.660
tors. eta vs tors. theta energy: -85.632
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 116
Temperature: 1.050000
Total energy: -842.252938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -842.252938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -842.252938 (E_RNA)
where:
Base-Base interactions energy: -538.244
where: short stacking energy: -228.734
Base-Backbone interact. energy: -2.598
local terms energy: -301.411407
where:
bonds (distance) C4'-P energy: -66.057
bonds (distance) P-C4' energy: -66.102
flat angles C4'-P-C4' energy: -60.465
flat angles P-C4'-P energy: -47.264
tors. eta vs tors. theta energy: -61.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 116
Temperature: 1.100000
Total energy: -707.995864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -707.995864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -707.995864 (E_RNA)
where:
Base-Base interactions energy: -425.972
where: short stacking energy: -198.570
Base-Backbone interact. energy: 0.188
local terms energy: -282.212012
where:
bonds (distance) C4'-P energy: -60.147
bonds (distance) P-C4' energy: -71.305
flat angles C4'-P-C4' energy: -65.815
flat angles P-C4'-P energy: -41.901
tors. eta vs tors. theta energy: -43.044
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: 6
=====================================
Write number: 116
Temperature: 1.150000
Total energy: -557.728462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -557.728462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -557.728462 (E_RNA)
where:
Base-Base interactions energy: -308.426
where: short stacking energy: -166.580
Base-Backbone interact. energy: -0.613
local terms energy: -248.689540
where:
bonds (distance) C4'-P energy: -48.116
bonds (distance) P-C4' energy: -71.467
flat angles C4'-P-C4' energy: -66.702
flat angles P-C4'-P energy: -33.748
tors. eta vs tors. theta energy: -28.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 116
Temperature: 1.200000
Total energy: -338.763705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.763705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.763705 (E_RNA)
where:
Base-Base interactions energy: -133.614
where: short stacking energy: -89.015
Base-Backbone interact. energy: 0.748
local terms energy: -205.896941
where:
bonds (distance) C4'-P energy: -57.189
bonds (distance) P-C4' energy: -65.600
flat angles C4'-P-C4' energy: -57.464
flat angles P-C4'-P energy: -30.401
tors. eta vs tors. theta energy: 4.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 116
Temperature: 1.250000
Total energy: -322.799294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.799294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.799294 (E_RNA)
where:
Base-Base interactions energy: -96.047
where: short stacking energy: -79.812
Base-Backbone interact. energy: -1.479
local terms energy: -225.272519
where:
bonds (distance) C4'-P energy: -68.370
bonds (distance) P-C4' energy: -69.530
flat angles C4'-P-C4' energy: -53.975
flat angles P-C4'-P energy: -35.019
tors. eta vs tors. theta energy: 1.621
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 116
Temperature: 1.300000
Total energy: -283.222254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.222254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.222254 (E_RNA)
where:
Base-Base interactions energy: -68.507
where: short stacking energy: -65.100
Base-Backbone interact. energy: 5.392
local terms energy: -220.107363
where:
bonds (distance) C4'-P energy: -64.526
bonds (distance) P-C4' energy: -60.984
flat angles C4'-P-C4' energy: -58.968
flat angles P-C4'-P energy: -35.958
tors. eta vs tors. theta energy: 0.328
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: 8
=====================================
Write number: 116
Temperature: 1.350000
Total energy: -270.647742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.647742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.647742 (E_RNA)
where:
Base-Base interactions energy: -93.785
where: short stacking energy: -71.451
Base-Backbone interact. energy: -1.223
local terms energy: -175.639567
where:
bonds (distance) C4'-P energy: -55.620
bonds (distance) P-C4' energy: -47.926
flat angles C4'-P-C4' energy: -51.935
flat angles P-C4'-P energy: -39.128
tors. eta vs tors. theta energy: 18.970
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: 4
=====================================
Write number: 117
Temperature: 0.900000
Total energy: -1102.266731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1102.266731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1102.266731 (E_RNA)
where:
Base-Base interactions energy: -730.823
where: short stacking energy: -339.104
Base-Backbone interact. energy: 1.162
local terms energy: -372.606258
where:
bonds (distance) C4'-P energy: -72.737
bonds (distance) P-C4' energy: -71.337
flat angles C4'-P-C4' energy: -74.629
flat angles P-C4'-P energy: -41.797
tors. eta vs tors. theta energy: -112.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 117
Temperature: 0.950000
Total energy: -1011.237188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1011.237188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1011.237188 (E_RNA)
where:
Base-Base interactions energy: -661.579
where: short stacking energy: -294.449
Base-Backbone interact. energy: -0.026
local terms energy: -349.632426
where:
bonds (distance) C4'-P energy: -61.767
bonds (distance) P-C4' energy: -72.473
flat angles C4'-P-C4' energy: -73.805
flat angles P-C4'-P energy: -56.076
tors. eta vs tors. theta energy: -85.511
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 117
Temperature: 1.000000
Total energy: -914.784684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -914.784684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -914.784684 (E_RNA)
where:
Base-Base interactions energy: -587.691
where: short stacking energy: -262.172
Base-Backbone interact. energy: -0.931
local terms energy: -326.162686
where:
bonds (distance) C4'-P energy: -68.692
bonds (distance) P-C4' energy: -54.499
flat angles C4'-P-C4' energy: -72.521
flat angles P-C4'-P energy: -50.349
tors. eta vs tors. theta energy: -80.101
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 117
Temperature: 1.050000
Total energy: -810.827980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -810.827980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -810.827980 (E_RNA)
where:
Base-Base interactions energy: -515.446
where: short stacking energy: -244.658
Base-Backbone interact. energy: -0.678
local terms energy: -294.704045
where:
bonds (distance) C4'-P energy: -67.392
bonds (distance) P-C4' energy: -62.758
flat angles C4'-P-C4' energy: -61.174
flat angles P-C4'-P energy: -37.473
tors. eta vs tors. theta energy: -65.907
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: 2
=====================================
Write number: 117
Temperature: 1.100000
Total energy: -656.370894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -656.370894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -656.370894 (E_RNA)
where:
Base-Base interactions energy: -391.043
where: short stacking energy: -198.478
Base-Backbone interact. energy: -1.316
local terms energy: -264.011323
where:
bonds (distance) C4'-P energy: -64.792
bonds (distance) P-C4' energy: -65.934
flat angles C4'-P-C4' energy: -54.108
flat angles P-C4'-P energy: -35.420
tors. eta vs tors. theta energy: -43.757
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: 6
=====================================
Write number: 117
Temperature: 1.150000
Total energy: -556.671986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.671986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -556.671986 (E_RNA)
where:
Base-Base interactions energy: -305.763
where: short stacking energy: -168.010
Base-Backbone interact. energy: -1.023
local terms energy: -249.886126
where:
bonds (distance) C4'-P energy: -67.018
bonds (distance) P-C4' energy: -61.088
flat angles C4'-P-C4' energy: -56.362
flat angles P-C4'-P energy: -35.276
tors. eta vs tors. theta energy: -30.142
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: 10
=====================================
Write number: 117
Temperature: 1.200000
Total energy: -349.250631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.250631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.250631 (E_RNA)
where:
Base-Base interactions energy: -130.606
where: short stacking energy: -109.144
Base-Backbone interact. energy: -1.447
local terms energy: -217.197472
where:
bonds (distance) C4'-P energy: -66.509
bonds (distance) P-C4' energy: -66.920
flat angles C4'-P-C4' energy: -47.634
flat angles P-C4'-P energy: -25.592
tors. eta vs tors. theta energy: -10.542
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: 7
=====================================
Write number: 117
Temperature: 1.250000
Total energy: -332.007678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.007678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.007678 (E_RNA)
where:
Base-Base interactions energy: -121.710
where: short stacking energy: -66.750
Base-Backbone interact. energy: -0.953
local terms energy: -209.344930
where:
bonds (distance) C4'-P energy: -61.073
bonds (distance) P-C4' energy: -74.502
flat angles C4'-P-C4' energy: -46.081
flat angles P-C4'-P energy: -38.325
tors. eta vs tors. theta energy: 10.636
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 117
Temperature: 1.300000
Total energy: -295.725600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.725600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.725600 (E_RNA)
where:
Base-Base interactions energy: -100.712
where: short stacking energy: -75.208
Base-Backbone interact. energy: 2.763
local terms energy: -197.776326
where:
bonds (distance) C4'-P energy: -59.932
bonds (distance) P-C4' energy: -65.261
flat angles C4'-P-C4' energy: -39.678
flat angles P-C4'-P energy: -32.523
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: 10, replica: 8
=====================================
Write number: 117
Temperature: 1.350000
Total energy: -267.752397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.752397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.752397 (E_RNA)
where:
Base-Base interactions energy: -103.677
where: short stacking energy: -72.124
Base-Backbone interact. energy: 1.207
local terms energy: -165.282450
where:
bonds (distance) C4'-P energy: -42.665
bonds (distance) P-C4' energy: -55.842
flat angles C4'-P-C4' energy: -50.038
flat angles P-C4'-P energy: -24.660
tors. eta vs tors. theta energy: 7.923
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: 1, replica: 4
=====================================
Write number: 118
Temperature: 0.900000
Total energy: -1106.697903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1106.697903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1106.697903 (E_RNA)
where:
Base-Base interactions energy: -726.484
where: short stacking energy: -335.233
Base-Backbone interact. energy: -0.232
local terms energy: -379.982604
where:
bonds (distance) C4'-P energy: -73.768
bonds (distance) P-C4' energy: -73.557
flat angles C4'-P-C4' energy: -75.938
flat angles P-C4'-P energy: -45.360
tors. eta vs tors. theta energy: -111.359
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 118
Temperature: 0.950000
Total energy: -1010.907315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1010.907315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1010.907315 (E_RNA)
where:
Base-Base interactions energy: -665.245
where: short stacking energy: -313.794
Base-Backbone interact. energy: 1.978
local terms energy: -347.640430
where:
bonds (distance) C4'-P energy: -62.155
bonds (distance) P-C4' energy: -68.753
flat angles C4'-P-C4' energy: -80.310
flat angles P-C4'-P energy: -43.628
tors. eta vs tors. theta energy: -92.793
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: 5
=====================================
Write number: 118
Temperature: 1.000000
Total energy: -900.333342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -900.333342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -900.333342 (E_RNA)
where:
Base-Base interactions energy: -568.484
where: short stacking energy: -269.543
Base-Backbone interact. energy: 3.792
local terms energy: -335.641206
where:
bonds (distance) C4'-P energy: -70.355
bonds (distance) P-C4' energy: -63.227
flat angles C4'-P-C4' energy: -73.560
flat angles P-C4'-P energy: -45.895
tors. eta vs tors. theta energy: -82.604
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 118
Temperature: 1.050000
Total energy: -804.771308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -804.771308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -804.771308 (E_RNA)
where:
Base-Base interactions energy: -516.948
where: short stacking energy: -215.085
Base-Backbone interact. energy: -0.483
local terms energy: -287.339454
where:
bonds (distance) C4'-P energy: -67.987
bonds (distance) P-C4' energy: -64.547
flat angles C4'-P-C4' energy: -59.633
flat angles P-C4'-P energy: -38.563
tors. eta vs tors. theta energy: -56.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 118
Temperature: 1.100000
Total energy: -628.915828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -628.915828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -628.915828 (E_RNA)
where:
Base-Base interactions energy: -367.162
where: short stacking energy: -184.299
Base-Backbone interact. energy: 2.085
local terms energy: -263.838680
where:
bonds (distance) C4'-P energy: -58.105
bonds (distance) P-C4' energy: -56.377
flat angles C4'-P-C4' energy: -61.206
flat angles P-C4'-P energy: -45.991
tors. eta vs tors. theta energy: -42.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 118
Temperature: 1.150000
Total energy: -587.407139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -587.407139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -587.407139 (E_RNA)
where:
Base-Base interactions energy: -358.432
where: short stacking energy: -158.320
Base-Backbone interact. energy: 1.087
local terms energy: -230.062558
where:
bonds (distance) C4'-P energy: -55.709
bonds (distance) P-C4' energy: -49.030
flat angles C4'-P-C4' energy: -46.293
flat angles P-C4'-P energy: -40.225
tors. eta vs tors. theta energy: -38.806
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 118
Temperature: 1.200000
Total energy: -358.495322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.495322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.495322 (E_RNA)
where:
Base-Base interactions energy: -136.324
where: short stacking energy: -86.963
Base-Backbone interact. energy: -2.034
local terms energy: -220.136638
where:
bonds (distance) C4'-P energy: -72.925
bonds (distance) P-C4' energy: -59.234
flat angles C4'-P-C4' energy: -49.961
flat angles P-C4'-P energy: -35.120
tors. eta vs tors. theta energy: -2.897
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: 10
=====================================
Write number: 118
Temperature: 1.250000
Total energy: -309.386079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.386079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.386079 (E_RNA)
where:
Base-Base interactions energy: -118.625
where: short stacking energy: -97.932
Base-Backbone interact. energy: -0.506
local terms energy: -190.255296
where:
bonds (distance) C4'-P energy: -54.059
bonds (distance) P-C4' energy: -64.362
flat angles C4'-P-C4' energy: -40.459
flat angles P-C4'-P energy: -34.519
tors. eta vs tors. theta energy: 3.144
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: 9, replica: 9
=====================================
Write number: 118
Temperature: 1.300000
Total energy: -301.430381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.430381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.430381 (E_RNA)
where:
Base-Base interactions energy: -105.576
where: short stacking energy: -96.833
Base-Backbone interact. energy: 0.583
local terms energy: -196.437446
where:
bonds (distance) C4'-P energy: -49.488
bonds (distance) P-C4' energy: -60.636
flat angles C4'-P-C4' energy: -59.000
flat angles P-C4'-P energy: -27.671
tors. eta vs tors. theta energy: 0.358
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: 8
=====================================
Write number: 118
Temperature: 1.350000
Total energy: -277.276437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.276437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.276437 (E_RNA)
where:
Base-Base interactions energy: -77.282
where: short stacking energy: -55.084
Base-Backbone interact. energy: 0.650
local terms energy: -200.644053
where:
bonds (distance) C4'-P energy: -52.037
bonds (distance) P-C4' energy: -69.517
flat angles C4'-P-C4' energy: -52.708
flat angles P-C4'-P energy: -38.740
tors. eta vs tors. theta energy: 12.357
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 119
Temperature: 0.900000
Total energy: -1113.948047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1113.948047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1113.948047 (E_RNA)
where:
Base-Base interactions energy: -732.544
where: short stacking energy: -343.021
Base-Backbone interact. energy: -0.717
local terms energy: -380.686442
where:
bonds (distance) C4'-P energy: -69.524
bonds (distance) P-C4' energy: -75.091
flat angles C4'-P-C4' energy: -71.786
flat angles P-C4'-P energy: -48.348
tors. eta vs tors. theta energy: -115.937
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 119
Temperature: 0.950000
Total energy: -1035.018296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1035.018296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1035.018296 (E_RNA)
where:
Base-Base interactions energy: -684.366
where: short stacking energy: -313.221
Base-Backbone interact. energy: -0.736
local terms energy: -349.916741
where:
bonds (distance) C4'-P energy: -64.513
bonds (distance) P-C4' energy: -63.668
flat angles C4'-P-C4' energy: -80.740
flat angles P-C4'-P energy: -39.993
tors. eta vs tors. theta energy: -101.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 119
Temperature: 1.000000
Total energy: -901.720663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -901.720663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -901.720663 (E_RNA)
where:
Base-Base interactions energy: -577.899
where: short stacking energy: -275.808
Base-Backbone interact. energy: -0.325
local terms energy: -323.496404
where:
bonds (distance) C4'-P energy: -62.460
bonds (distance) P-C4' energy: -68.188
flat angles C4'-P-C4' energy: -69.047
flat angles P-C4'-P energy: -40.700
tors. eta vs tors. theta energy: -83.101
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 119
Temperature: 1.050000
Total energy: -784.559445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -784.559445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -784.559445 (E_RNA)
where:
Base-Base interactions energy: -494.308
where: short stacking energy: -235.490
Base-Backbone interact. energy: 0.149
local terms energy: -290.400853
where:
bonds (distance) C4'-P energy: -70.124
bonds (distance) P-C4' energy: -65.316
flat angles C4'-P-C4' energy: -65.312
flat angles P-C4'-P energy: -40.615
tors. eta vs tors. theta energy: -49.034
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: 2
=====================================
Write number: 119
Temperature: 1.100000
Total energy: -645.332134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -645.332134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -645.332134 (E_RNA)
where:
Base-Base interactions energy: -377.198
where: short stacking energy: -183.187
Base-Backbone interact. energy: -2.117
local terms energy: -266.017243
where:
bonds (distance) C4'-P energy: -72.102
bonds (distance) P-C4' energy: -63.433
flat angles C4'-P-C4' energy: -59.905
flat angles P-C4'-P energy: -41.990
tors. eta vs tors. theta energy: -28.588
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: 6
=====================================
Write number: 119
Temperature: 1.150000
Total energy: -584.322749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -584.322749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -584.322749 (E_RNA)
where:
Base-Base interactions energy: -331.183
where: short stacking energy: -160.893
Base-Backbone interact. energy: 0.683
local terms energy: -253.822234
where:
bonds (distance) C4'-P energy: -67.216
bonds (distance) P-C4' energy: -52.866
flat angles C4'-P-C4' energy: -62.099
flat angles P-C4'-P energy: -40.258
tors. eta vs tors. theta energy: -31.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 119
Temperature: 1.200000
Total energy: -325.090125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.090125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.090125 (E_RNA)
where:
Base-Base interactions energy: -123.843
where: short stacking energy: -76.687
Base-Backbone interact. energy: -0.745
local terms energy: -200.502396
where:
bonds (distance) C4'-P energy: -58.965
bonds (distance) P-C4' energy: -58.377
flat angles C4'-P-C4' energy: -50.081
flat angles P-C4'-P energy: -37.815
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: 8, replica: 10
=====================================
Write number: 119
Temperature: 1.250000
Total energy: -321.420894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.420894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.420894 (E_RNA)
where:
Base-Base interactions energy: -127.997
where: short stacking energy: -93.450
Base-Backbone interact. energy: -1.286
local terms energy: -192.138231
where:
bonds (distance) C4'-P energy: -59.872
bonds (distance) P-C4' energy: -57.154
flat angles C4'-P-C4' energy: -52.679
flat angles P-C4'-P energy: -27.816
tors. eta vs tors. theta energy: 5.383
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 119
Temperature: 1.300000
Total energy: -279.686702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.686702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.686702 (E_RNA)
where:
Base-Base interactions energy: -86.510
where: short stacking energy: -59.545
Base-Backbone interact. energy: -0.853
local terms energy: -192.324443
where:
bonds (distance) C4'-P energy: -61.696
bonds (distance) P-C4' energy: -53.833
flat angles C4'-P-C4' energy: -64.489
flat angles P-C4'-P energy: -27.504
tors. eta vs tors. theta energy: 15.198
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 119
Temperature: 1.350000
Total energy: -312.702530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.702530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.702530 (E_RNA)
where:
Base-Base interactions energy: -102.850
where: short stacking energy: -83.418
Base-Backbone interact. energy: -0.798
local terms energy: -209.054250
where:
bonds (distance) C4'-P energy: -63.907
bonds (distance) P-C4' energy: -58.890
flat angles C4'-P-C4' energy: -56.428
flat angles P-C4'-P energy: -42.644
tors. eta vs tors. theta energy: 12.816
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 120
Temperature: 0.900000
Total energy: -1113.808942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1113.808942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1113.808942 (E_RNA)
where:
Base-Base interactions energy: -736.804
where: short stacking energy: -336.613
Base-Backbone interact. energy: 0.582
local terms energy: -377.586215
where:
bonds (distance) C4'-P energy: -75.491
bonds (distance) P-C4' energy: -62.347
flat angles C4'-P-C4' energy: -72.350
flat angles P-C4'-P energy: -54.323
tors. eta vs tors. theta energy: -113.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 120
Temperature: 0.950000
Total energy: -1016.791486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1016.791486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1016.791486 (E_RNA)
where:
Base-Base interactions energy: -659.006
where: short stacking energy: -307.605
Base-Backbone interact. energy: 0.791
local terms energy: -358.575777
where:
bonds (distance) C4'-P energy: -67.233
bonds (distance) P-C4' energy: -69.467
flat angles C4'-P-C4' energy: -80.847
flat angles P-C4'-P energy: -45.020
tors. eta vs tors. theta energy: -96.008
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: 5
=====================================
Write number: 120
Temperature: 1.000000
Total energy: -935.302835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -935.302835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -935.302835 (E_RNA)
where:
Base-Base interactions energy: -586.586
where: short stacking energy: -280.560
Base-Backbone interact. energy: 0.023
local terms energy: -348.739733
where:
bonds (distance) C4'-P energy: -71.159
bonds (distance) P-C4' energy: -75.660
flat angles C4'-P-C4' energy: -71.525
flat angles P-C4'-P energy: -43.504
tors. eta vs tors. theta energy: -86.891
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 120
Temperature: 1.050000
Total energy: -755.992078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -755.992078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -755.992078 (E_RNA)
where:
Base-Base interactions energy: -484.398
where: short stacking energy: -209.392
Base-Backbone interact. energy: -2.991
local terms energy: -268.603519
where:
bonds (distance) C4'-P energy: -47.757
bonds (distance) P-C4' energy: -63.705
flat angles C4'-P-C4' energy: -60.572
flat angles P-C4'-P energy: -45.903
tors. eta vs tors. theta energy: -50.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 120
Temperature: 1.100000
Total energy: -622.011303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -622.011303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -622.011303 (E_RNA)
where:
Base-Base interactions energy: -373.259
where: short stacking energy: -192.927
Base-Backbone interact. energy: 0.461
local terms energy: -249.213629
where:
bonds (distance) C4'-P energy: -58.923
bonds (distance) P-C4' energy: -64.289
flat angles C4'-P-C4' energy: -48.350
flat angles P-C4'-P energy: -39.774
tors. eta vs tors. theta energy: -37.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 120
Temperature: 1.150000
Total energy: -573.580443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -573.580443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -573.580443 (E_RNA)
where:
Base-Base interactions energy: -336.750
where: short stacking energy: -137.950
Base-Backbone interact. energy: -0.001
local terms energy: -236.829712
where:
bonds (distance) C4'-P energy: -56.500
bonds (distance) P-C4' energy: -64.001
flat angles C4'-P-C4' energy: -59.457
flat angles P-C4'-P energy: -44.308
tors. eta vs tors. theta energy: -12.564
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: 7
=====================================
Write number: 120
Temperature: 1.200000
Total energy: -327.667348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.667348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.667348 (E_RNA)
where:
Base-Base interactions energy: -136.339
where: short stacking energy: -95.453
Base-Backbone interact. energy: -2.691
local terms energy: -188.637245
where:
bonds (distance) C4'-P energy: -58.184
bonds (distance) P-C4' energy: -55.286
flat angles C4'-P-C4' energy: -51.877
flat angles P-C4'-P energy: -34.012
tors. eta vs tors. theta energy: 10.722
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: 8, replica: 10
=====================================
Write number: 120
Temperature: 1.250000
Total energy: -338.584504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.584504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.584504 (E_RNA)
where:
Base-Base interactions energy: -128.952
where: short stacking energy: -111.416
Base-Backbone interact. energy: -2.710
local terms energy: -206.923233
where:
bonds (distance) C4'-P energy: -46.953
bonds (distance) P-C4' energy: -53.825
flat angles C4'-P-C4' energy: -63.292
flat angles P-C4'-P energy: -31.152
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: 9, replica: 8
=====================================
Write number: 120
Temperature: 1.300000
Total energy: -289.689678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.689678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.689678 (E_RNA)
where:
Base-Base interactions energy: -92.571
where: short stacking energy: -72.976
Base-Backbone interact. energy: -1.112
local terms energy: -196.006006
where:
bonds (distance) C4'-P energy: -65.044
bonds (distance) P-C4' energy: -53.793
flat angles C4'-P-C4' energy: -44.984
flat angles P-C4'-P energy: -41.163
tors. eta vs tors. theta energy: 8.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 120
Temperature: 1.350000
Total energy: -279.748488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.748488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.748488 (E_RNA)
where:
Base-Base interactions energy: -95.176
where: short stacking energy: -48.827
Base-Backbone interact. energy: 1.803
local terms energy: -186.375451
where:
bonds (distance) C4'-P energy: -58.802
bonds (distance) P-C4' energy: -65.709
flat angles C4'-P-C4' energy: -57.783
flat angles P-C4'-P energy: -29.053
tors. eta vs tors. theta energy: 24.971
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: 1, replica: 4
=====================================
Write number: 121
Temperature: 0.900000
Total energy: -1122.638051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1122.638051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1122.638051 (E_RNA)
where:
Base-Base interactions energy: -730.523
where: short stacking energy: -339.482
Base-Backbone interact. energy: -0.610
local terms energy: -391.504247
where:
bonds (distance) C4'-P energy: -66.508
bonds (distance) P-C4' energy: -78.151
flat angles C4'-P-C4' energy: -76.191
flat angles P-C4'-P energy: -51.506
tors. eta vs tors. theta energy: -119.149
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: 1
=====================================
Write number: 121
Temperature: 0.950000
Total energy: -1036.279642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1036.279642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1036.279642 (E_RNA)
where:
Base-Base interactions energy: -667.323
where: short stacking energy: -302.059
Base-Backbone interact. energy: 0.301
local terms energy: -369.257501
where:
bonds (distance) C4'-P energy: -66.411
bonds (distance) P-C4' energy: -73.638
flat angles C4'-P-C4' energy: -81.815
flat angles P-C4'-P energy: -51.665
tors. eta vs tors. theta energy: -95.729
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 121
Temperature: 1.000000
Total energy: -917.927405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -917.927405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -917.927405 (E_RNA)
where:
Base-Base interactions energy: -578.347
where: short stacking energy: -265.899
Base-Backbone interact. energy: 0.728
local terms energy: -340.308446
where:
bonds (distance) C4'-P energy: -69.180
bonds (distance) P-C4' energy: -72.212
flat angles C4'-P-C4' energy: -76.339
flat angles P-C4'-P energy: -41.892
tors. eta vs tors. theta energy: -80.686
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: 3
=====================================
Write number: 121
Temperature: 1.050000
Total energy: -830.467519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -830.467519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -830.467519 (E_RNA)
where:
Base-Base interactions energy: -525.919
where: short stacking energy: -244.177
Base-Backbone interact. energy: -0.585
local terms energy: -303.963689
where:
bonds (distance) C4'-P energy: -61.570
bonds (distance) P-C4' energy: -60.237
flat angles C4'-P-C4' energy: -69.391
flat angles P-C4'-P energy: -44.694
tors. eta vs tors. theta energy: -68.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 121
Temperature: 1.100000
Total energy: -619.717809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -619.717809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -619.717809 (E_RNA)
where:
Base-Base interactions energy: -345.903
where: short stacking energy: -173.367
Base-Backbone interact. energy: -1.455
local terms energy: -272.360087
where:
bonds (distance) C4'-P energy: -72.665
bonds (distance) P-C4' energy: -56.945
flat angles C4'-P-C4' energy: -69.173
flat angles P-C4'-P energy: -43.992
tors. eta vs tors. theta energy: -29.584
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: 6, replica: 6
=====================================
Write number: 121
Temperature: 1.150000
Total energy: -554.435262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -554.435262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -554.435262 (E_RNA)
where:
Base-Base interactions energy: -314.268
where: short stacking energy: -166.913
Base-Backbone interact. energy: -0.730
local terms energy: -239.438026
where:
bonds (distance) C4'-P energy: -59.505
bonds (distance) P-C4' energy: -66.380
flat angles C4'-P-C4' energy: -50.993
flat angles P-C4'-P energy: -44.125
tors. eta vs tors. theta energy: -18.435
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: 7
=====================================
Write number: 121
Temperature: 1.200000
Total energy: -368.550701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.550701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.550701 (E_RNA)
where:
Base-Base interactions energy: -146.648
where: short stacking energy: -106.002
Base-Backbone interact. energy: -0.295
local terms energy: -221.607333
where:
bonds (distance) C4'-P energy: -66.171
bonds (distance) P-C4' energy: -61.846
flat angles C4'-P-C4' energy: -58.743
flat angles P-C4'-P energy: -28.861
tors. eta vs tors. theta energy: -5.987
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 121
Temperature: 1.250000
Total energy: -319.748491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.748491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.748491 (E_RNA)
where:
Base-Base interactions energy: -117.559
where: short stacking energy: -88.178
Base-Backbone interact. energy: -0.861
local terms energy: -201.329170
where:
bonds (distance) C4'-P energy: -63.052
bonds (distance) P-C4' energy: -74.208
flat angles C4'-P-C4' energy: -46.272
flat angles P-C4'-P energy: -26.146
tors. eta vs tors. theta energy: 8.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 121
Temperature: 1.300000
Total energy: -292.215306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.215306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.215306 (E_RNA)
where:
Base-Base interactions energy: -119.573
where: short stacking energy: -87.715
Base-Backbone interact. energy: 1.506
local terms energy: -174.148096
where:
bonds (distance) C4'-P energy: -47.987
bonds (distance) P-C4' energy: -56.739
flat angles C4'-P-C4' energy: -46.193
flat angles P-C4'-P energy: -20.635
tors. eta vs tors. theta energy: -2.594
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 121
Temperature: 1.350000
Total energy: -284.562463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.562463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.562463 (E_RNA)
where:
Base-Base interactions energy: -86.240
where: short stacking energy: -75.851
Base-Backbone interact. energy: 4.578
local terms energy: -202.899921
where:
bonds (distance) C4'-P energy: -58.190
bonds (distance) P-C4' energy: -67.048
flat angles C4'-P-C4' energy: -43.993
flat angles P-C4'-P energy: -29.603
tors. eta vs tors. theta energy: -4.067
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 122
Temperature: 0.900000
Total energy: -1125.952090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1125.952090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1125.952090 (E_RNA)
where:
Base-Base interactions energy: -743.046
where: short stacking energy: -334.282
Base-Backbone interact. energy: 1.327
local terms energy: -384.233266
where:
bonds (distance) C4'-P energy: -66.952
bonds (distance) P-C4' energy: -69.334
flat angles C4'-P-C4' energy: -83.663
flat angles P-C4'-P energy: -56.940
tors. eta vs tors. theta energy: -107.344
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: 1
=====================================
Write number: 122
Temperature: 0.950000
Total energy: -1036.376028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1036.376028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1036.376028 (E_RNA)
where:
Base-Base interactions energy: -679.976
where: short stacking energy: -303.200
Base-Backbone interact. energy: -0.622
local terms energy: -355.777919
where:
bonds (distance) C4'-P energy: -74.219
bonds (distance) P-C4' energy: -55.626
flat angles C4'-P-C4' energy: -79.922
flat angles P-C4'-P energy: -42.575
tors. eta vs tors. theta energy: -103.435
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 122
Temperature: 1.000000
Total energy: -898.308119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -898.308119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -898.308119 (E_RNA)
where:
Base-Base interactions energy: -574.551
where: short stacking energy: -281.277
Base-Backbone interact. energy: -3.531
local terms energy: -320.226313
where:
bonds (distance) C4'-P energy: -54.737
bonds (distance) P-C4' energy: -75.943
flat angles C4'-P-C4' energy: -64.862
flat angles P-C4'-P energy: -41.311
tors. eta vs tors. theta energy: -83.373
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: 3
=====================================
Write number: 122
Temperature: 1.050000
Total energy: -826.487195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -826.487195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -826.487195 (E_RNA)
where:
Base-Base interactions energy: -518.422
where: short stacking energy: -253.695
Base-Backbone interact. energy: -3.038
local terms energy: -305.027146
where:
bonds (distance) C4'-P energy: -60.654
bonds (distance) P-C4' energy: -60.901
flat angles C4'-P-C4' energy: -68.546
flat angles P-C4'-P energy: -40.964
tors. eta vs tors. theta energy: -73.962
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 122
Temperature: 1.100000
Total energy: -629.594618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -629.594618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -629.594618 (E_RNA)
where:
Base-Base interactions energy: -356.351
where: short stacking energy: -190.379
Base-Backbone interact. energy: -0.496
local terms energy: -272.748191
where:
bonds (distance) C4'-P energy: -53.002
bonds (distance) P-C4' energy: -60.563
flat angles C4'-P-C4' energy: -63.521
flat angles P-C4'-P energy: -44.869
tors. eta vs tors. theta energy: -50.793
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 122
Temperature: 1.150000
Total energy: -577.431830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -577.431830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -577.431830 (E_RNA)
where:
Base-Base interactions energy: -317.646
where: short stacking energy: -160.857
Base-Backbone interact. energy: -0.590
local terms energy: -259.196425
where:
bonds (distance) C4'-P energy: -58.088
bonds (distance) P-C4' energy: -61.811
flat angles C4'-P-C4' energy: -63.520
flat angles P-C4'-P energy: -38.919
tors. eta vs tors. theta energy: -36.858
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 122
Temperature: 1.200000
Total energy: -389.554964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -389.554964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -389.554964 (E_RNA)
where:
Base-Base interactions energy: -175.133
where: short stacking energy: -116.377
Base-Backbone interact. energy: 0.705
local terms energy: -215.126382
where:
bonds (distance) C4'-P energy: -52.026
bonds (distance) P-C4' energy: -68.238
flat angles C4'-P-C4' energy: -52.789
flat angles P-C4'-P energy: -40.450
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: 8, replica: 7
=====================================
Write number: 122
Temperature: 1.250000
Total energy: -321.650362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.650362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.650362 (E_RNA)
where:
Base-Base interactions energy: -123.441
where: short stacking energy: -99.215
Base-Backbone interact. energy: -1.001
local terms energy: -197.208042
where:
bonds (distance) C4'-P energy: -58.312
bonds (distance) P-C4' energy: -63.050
flat angles C4'-P-C4' energy: -68.185
flat angles P-C4'-P energy: -14.203
tors. eta vs tors. theta energy: 6.542
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 122
Temperature: 1.300000
Total energy: -278.378907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.378907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.378907 (E_RNA)
where:
Base-Base interactions energy: -90.127
where: short stacking energy: -66.413
Base-Backbone interact. energy: -2.718
local terms energy: -185.534056
where:
bonds (distance) C4'-P energy: -62.907
bonds (distance) P-C4' energy: -57.434
flat angles C4'-P-C4' energy: -53.817
flat angles P-C4'-P energy: -37.050
tors. eta vs tors. theta energy: 25.674
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 122
Temperature: 1.350000
Total energy: -273.932563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.932563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.932563 (E_RNA)
where:
Base-Base interactions energy: -121.944
where: short stacking energy: -68.499
Base-Backbone interact. energy: -2.141
local terms energy: -149.847393
where:
bonds (distance) C4'-P energy: -51.612
bonds (distance) P-C4' energy: -52.136
flat angles C4'-P-C4' energy: -43.991
flat angles P-C4'-P energy: -29.575
tors. eta vs tors. theta energy: 27.467
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: 4
=====================================
Write number: 123
Temperature: 0.900000
Total energy: -1101.593768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1101.593768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1101.593768 (E_RNA)
where:
Base-Base interactions energy: -727.348
where: short stacking energy: -332.683
Base-Backbone interact. energy: -1.037
local terms energy: -373.209209
where:
bonds (distance) C4'-P energy: -70.688
bonds (distance) P-C4' energy: -69.796
flat angles C4'-P-C4' energy: -78.320
flat angles P-C4'-P energy: -46.105
tors. eta vs tors. theta energy: -108.301
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: 123
Temperature: 0.950000
Total energy: -1011.620722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1011.620722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1011.620722 (E_RNA)
where:
Base-Base interactions energy: -674.093
where: short stacking energy: -306.088
Base-Backbone interact. energy: -1.069
local terms energy: -336.458167
where:
bonds (distance) C4'-P energy: -62.611
bonds (distance) P-C4' energy: -68.259
flat angles C4'-P-C4' energy: -71.192
flat angles P-C4'-P energy: -45.626
tors. eta vs tors. theta energy: -88.770
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 123
Temperature: 1.000000
Total energy: -942.980974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -942.980974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -942.980974 (E_RNA)
where:
Base-Base interactions energy: -604.365
where: short stacking energy: -275.748
Base-Backbone interact. energy: -0.592
local terms energy: -338.023247
where:
bonds (distance) C4'-P energy: -56.740
bonds (distance) P-C4' energy: -67.933
flat angles C4'-P-C4' energy: -72.142
flat angles P-C4'-P energy: -48.444
tors. eta vs tors. theta energy: -92.765
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: 3
=====================================
Write number: 123
Temperature: 1.050000
Total energy: -819.966100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -819.966100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -819.966100 (E_RNA)
where:
Base-Base interactions energy: -536.146
where: short stacking energy: -247.980
Base-Backbone interact. energy: -2.426
local terms energy: -281.394243
where:
bonds (distance) C4'-P energy: -58.963
bonds (distance) P-C4' energy: -55.286
flat angles C4'-P-C4' energy: -60.315
flat angles P-C4'-P energy: -38.840
tors. eta vs tors. theta energy: -67.989
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 123
Temperature: 1.100000
Total energy: -592.073041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -592.073041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -592.073041 (E_RNA)
where:
Base-Base interactions energy: -339.256
where: short stacking energy: -174.918
Base-Backbone interact. energy: -0.086
local terms energy: -252.731007
where:
bonds (distance) C4'-P energy: -61.826
bonds (distance) P-C4' energy: -73.319
flat angles C4'-P-C4' energy: -58.298
flat angles P-C4'-P energy: -24.626
tors. eta vs tors. theta energy: -34.663
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 123
Temperature: 1.150000
Total energy: -548.115399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.115399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.115399 (E_RNA)
where:
Base-Base interactions energy: -299.678
where: short stacking energy: -158.008
Base-Backbone interact. energy: -1.212
local terms energy: -247.224964
where:
bonds (distance) C4'-P energy: -61.657
bonds (distance) P-C4' energy: -64.132
flat angles C4'-P-C4' energy: -64.663
flat angles P-C4'-P energy: -33.149
tors. eta vs tors. theta energy: -23.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 123
Temperature: 1.200000
Total energy: -365.826293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.826293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.826293 (E_RNA)
where:
Base-Base interactions energy: -140.275
where: short stacking energy: -116.478
Base-Backbone interact. energy: -1.884
local terms energy: -223.667517
where:
bonds (distance) C4'-P energy: -68.650
bonds (distance) P-C4' energy: -71.614
flat angles C4'-P-C4' energy: -46.985
flat angles P-C4'-P energy: -21.702
tors. eta vs tors. theta energy: -14.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 123
Temperature: 1.250000
Total energy: -324.812494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.812494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.812494 (E_RNA)
where:
Base-Base interactions energy: -102.158
where: short stacking energy: -86.977
Base-Backbone interact. energy: 0.322
local terms energy: -222.976711
where:
bonds (distance) C4'-P energy: -60.303
bonds (distance) P-C4' energy: -60.851
flat angles C4'-P-C4' energy: -61.855
flat angles P-C4'-P energy: -34.161
tors. eta vs tors. theta energy: -5.808
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: 7
=====================================
Write number: 123
Temperature: 1.300000
Total energy: -281.020296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.020296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.020296 (E_RNA)
where:
Base-Base interactions energy: -106.152
where: short stacking energy: -82.770
Base-Backbone interact. energy: 2.204
local terms energy: -177.072131
where:
bonds (distance) C4'-P energy: -39.092
bonds (distance) P-C4' energy: -57.573
flat angles C4'-P-C4' energy: -50.357
flat angles P-C4'-P energy: -38.157
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: 10, replica: 10
=====================================
Write number: 123
Temperature: 1.350000
Total energy: -264.521275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.521275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.521275 (E_RNA)
where:
Base-Base interactions energy: -73.804
where: short stacking energy: -57.344
Base-Backbone interact. energy: 0.777
local terms energy: -191.494712
where:
bonds (distance) C4'-P energy: -56.697
bonds (distance) P-C4' energy: -66.064
flat angles C4'-P-C4' energy: -57.485
flat angles P-C4'-P energy: -23.546
tors. eta vs tors. theta energy: 12.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 124
Temperature: 0.900000
Total energy: -1098.371124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1098.371124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1098.371124 (E_RNA)
where:
Base-Base interactions energy: -722.056
where: short stacking energy: -305.685
Base-Backbone interact. energy: -2.357
local terms energy: -373.958101
where:
bonds (distance) C4'-P energy: -67.002
bonds (distance) P-C4' energy: -73.285
flat angles C4'-P-C4' energy: -81.565
flat angles P-C4'-P energy: -53.686
tors. eta vs tors. theta energy: -98.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 124
Temperature: 0.950000
Total energy: -1013.108109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1013.108109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1013.108109 (E_RNA)
where:
Base-Base interactions energy: -656.226
where: short stacking energy: -308.382
Base-Backbone interact. energy: -2.103
local terms energy: -354.778668
where:
bonds (distance) C4'-P energy: -74.612
bonds (distance) P-C4' energy: -64.732
flat angles C4'-P-C4' energy: -71.908
flat angles P-C4'-P energy: -51.763
tors. eta vs tors. theta energy: -91.762
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: 5
=====================================
Write number: 124
Temperature: 1.000000
Total energy: -916.050416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -916.050416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -916.050416 (E_RNA)
where:
Base-Base interactions energy: -595.032
where: short stacking energy: -272.552
Base-Backbone interact. energy: -1.971
local terms energy: -319.048246
where:
bonds (distance) C4'-P energy: -65.199
bonds (distance) P-C4' energy: -54.868
flat angles C4'-P-C4' energy: -65.100
flat angles P-C4'-P energy: -52.485
tors. eta vs tors. theta energy: -81.397
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: 3
=====================================
Write number: 124
Temperature: 1.050000
Total energy: -803.357023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -803.357023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -803.357023 (E_RNA)
where:
Base-Base interactions energy: -498.611
where: short stacking energy: -221.158
Base-Backbone interact. energy: 0.609
local terms energy: -305.354915
where:
bonds (distance) C4'-P energy: -64.070
bonds (distance) P-C4' energy: -65.126
flat angles C4'-P-C4' energy: -72.096
flat angles P-C4'-P energy: -45.068
tors. eta vs tors. theta energy: -58.995
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 124
Temperature: 1.100000
Total energy: -605.065384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -605.065384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -605.065384 (E_RNA)
where:
Base-Base interactions energy: -327.498
where: short stacking energy: -172.230
Base-Backbone interact. energy: 1.883
local terms energy: -279.450292
where:
bonds (distance) C4'-P energy: -65.456
bonds (distance) P-C4' energy: -61.216
flat angles C4'-P-C4' energy: -66.922
flat angles P-C4'-P energy: -46.439
tors. eta vs tors. theta energy: -39.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 124
Temperature: 1.150000
Total energy: -517.948906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.948906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.948906 (E_RNA)
where:
Base-Base interactions energy: -258.121
where: short stacking energy: -151.408
Base-Backbone interact. energy: -1.050
local terms energy: -258.778593
where:
bonds (distance) C4'-P energy: -60.303
bonds (distance) P-C4' energy: -57.368
flat angles C4'-P-C4' energy: -62.722
flat angles P-C4'-P energy: -45.882
tors. eta vs tors. theta energy: -32.504
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 124
Temperature: 1.200000
Total energy: -325.749077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.749077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.749077 (E_RNA)
where:
Base-Base interactions energy: -118.289
where: short stacking energy: -107.809
Base-Backbone interact. energy: -0.553
local terms energy: -206.906434
where:
bonds (distance) C4'-P energy: -51.899
bonds (distance) P-C4' energy: -61.237
flat angles C4'-P-C4' energy: -54.328
flat angles P-C4'-P energy: -35.523
tors. eta vs tors. theta energy: -3.919
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 124
Temperature: 1.250000
Total energy: -328.946803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.946803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.946803 (E_RNA)
where:
Base-Base interactions energy: -118.060
where: short stacking energy: -91.503
Base-Backbone interact. energy: -2.840
local terms energy: -208.046721
where:
bonds (distance) C4'-P energy: -55.072
bonds (distance) P-C4' energy: -67.804
flat angles C4'-P-C4' energy: -50.732
flat angles P-C4'-P energy: -43.647
tors. eta vs tors. theta energy: 9.207
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 124
Temperature: 1.300000
Total energy: -283.139402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.139402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.139402 (E_RNA)
where:
Base-Base interactions energy: -101.092
where: short stacking energy: -89.270
Base-Backbone interact. energy: 4.067
local terms energy: -186.114648
where:
bonds (distance) C4'-P energy: -58.257
bonds (distance) P-C4' energy: -62.646
flat angles C4'-P-C4' energy: -35.519
flat angles P-C4'-P energy: -28.574
tors. eta vs tors. theta energy: -1.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 124
Temperature: 1.350000
Total energy: -264.419714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.419714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.419714 (E_RNA)
where:
Base-Base interactions energy: -73.353
where: short stacking energy: -53.642
Base-Backbone interact. energy: -0.305
local terms energy: -190.761750
where:
bonds (distance) C4'-P energy: -58.145
bonds (distance) P-C4' energy: -66.650
flat angles C4'-P-C4' energy: -45.046
flat angles P-C4'-P energy: -35.394
tors. eta vs tors. theta energy: 14.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 125
Temperature: 0.900000
Total energy: -1128.075679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1128.075679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1128.075679 (E_RNA)
where:
Base-Base interactions energy: -748.984
where: short stacking energy: -332.306
Base-Backbone interact. energy: -0.686
local terms energy: -378.406322
where:
bonds (distance) C4'-P energy: -69.313
bonds (distance) P-C4' energy: -64.373
flat angles C4'-P-C4' energy: -81.715
flat angles P-C4'-P energy: -52.321
tors. eta vs tors. theta energy: -110.684
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: 125
Temperature: 0.950000
Total energy: -1009.759810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1009.759810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1009.759810 (E_RNA)
where:
Base-Base interactions energy: -656.872
where: short stacking energy: -297.574
Base-Backbone interact. energy: -2.002
local terms energy: -350.885805
where:
bonds (distance) C4'-P energy: -70.574
bonds (distance) P-C4' energy: -63.827
flat angles C4'-P-C4' energy: -78.677
flat angles P-C4'-P energy: -45.417
tors. eta vs tors. theta energy: -92.391
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: 5
=====================================
Write number: 125
Temperature: 1.000000
Total energy: -945.269823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -945.269823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -945.269823 (E_RNA)
where:
Base-Base interactions energy: -598.192
where: short stacking energy: -302.531
Base-Backbone interact. energy: -0.842
local terms energy: -346.235025
where:
bonds (distance) C4'-P energy: -61.157
bonds (distance) P-C4' energy: -71.015
flat angles C4'-P-C4' energy: -75.351
flat angles P-C4'-P energy: -42.754
tors. eta vs tors. theta energy: -95.958
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 125
Temperature: 1.050000
Total energy: -788.884412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -788.884412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -788.884412 (E_RNA)
where:
Base-Base interactions energy: -495.525
where: short stacking energy: -227.430
Base-Backbone interact. energy: -0.565
local terms energy: -292.794539
where:
bonds (distance) C4'-P energy: -53.085
bonds (distance) P-C4' energy: -68.047
flat angles C4'-P-C4' energy: -71.982
flat angles P-C4'-P energy: -45.938
tors. eta vs tors. theta energy: -53.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 125
Temperature: 1.100000
Total energy: -567.611619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -567.611619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -567.611619 (E_RNA)
where:
Base-Base interactions energy: -313.680
where: short stacking energy: -147.633
Base-Backbone interact. energy: -2.128
local terms energy: -251.804487
where:
bonds (distance) C4'-P energy: -63.521
bonds (distance) P-C4' energy: -63.104
flat angles C4'-P-C4' energy: -54.681
flat angles P-C4'-P energy: -44.248
tors. eta vs tors. theta energy: -26.250
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 125
Temperature: 1.150000
Total energy: -509.399054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.399054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.399054 (E_RNA)
where:
Base-Base interactions energy: -258.782
where: short stacking energy: -134.268
Base-Backbone interact. energy: -0.966
local terms energy: -249.650995
where:
bonds (distance) C4'-P energy: -52.478
bonds (distance) P-C4' energy: -66.475
flat angles C4'-P-C4' energy: -57.304
flat angles P-C4'-P energy: -46.614
tors. eta vs tors. theta energy: -26.779
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: 9
=====================================
Write number: 125
Temperature: 1.200000
Total energy: -350.722760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.722760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.722760 (E_RNA)
where:
Base-Base interactions energy: -131.323
where: short stacking energy: -109.694
Base-Backbone interact. energy: 1.213
local terms energy: -220.612935
where:
bonds (distance) C4'-P energy: -54.914
bonds (distance) P-C4' energy: -68.367
flat angles C4'-P-C4' energy: -51.973
flat angles P-C4'-P energy: -42.297
tors. eta vs tors. theta energy: -3.062
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 125
Temperature: 1.250000
Total energy: -337.280841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.280841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.280841 (E_RNA)
where:
Base-Base interactions energy: -132.603
where: short stacking energy: -103.549
Base-Backbone interact. energy: 2.600
local terms energy: -207.278150
where:
bonds (distance) C4'-P energy: -60.095
bonds (distance) P-C4' energy: -65.259
flat angles C4'-P-C4' energy: -48.388
flat angles P-C4'-P energy: -35.707
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: 8
=====================================
Write number: 125
Temperature: 1.300000
Total energy: -308.778822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.778822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.778822 (E_RNA)
where:
Base-Base interactions energy: -103.150
where: short stacking energy: -81.783
Base-Backbone interact. energy: -0.599
local terms energy: -205.029962
where:
bonds (distance) C4'-P energy: -59.040
bonds (distance) P-C4' energy: -63.614
flat angles C4'-P-C4' energy: -48.180
flat angles P-C4'-P energy: -27.475
tors. eta vs tors. theta energy: -6.721
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 125
Temperature: 1.350000
Total energy: -275.629793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.629793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.629793 (E_RNA)
where:
Base-Base interactions energy: -98.930
where: short stacking energy: -83.134
Base-Backbone interact. energy: -1.515
local terms energy: -175.184553
where:
bonds (distance) C4'-P energy: -62.469
bonds (distance) P-C4' energy: -51.769
flat angles C4'-P-C4' energy: -53.365
flat angles P-C4'-P energy: -24.435
tors. eta vs tors. theta energy: 16.853
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: 1, replica: 4
=====================================
Write number: 126
Temperature: 0.900000
Total energy: -1137.842301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1137.842301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1137.842301 (E_RNA)
where:
Base-Base interactions energy: -763.688
where: short stacking energy: -328.995
Base-Backbone interact. energy: 0.283
local terms energy: -374.437201
where:
bonds (distance) C4'-P energy: -68.118
bonds (distance) P-C4' energy: -71.177
flat angles C4'-P-C4' energy: -76.233
flat angles P-C4'-P energy: -45.825
tors. eta vs tors. theta energy: -113.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 126
Temperature: 0.950000
Total energy: -1020.457552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1020.457552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1020.457552 (E_RNA)
where:
Base-Base interactions energy: -665.648
where: short stacking energy: -311.349
Base-Backbone interact. energy: -2.221
local terms energy: -352.588272
where:
bonds (distance) C4'-P energy: -72.146
bonds (distance) P-C4' energy: -62.863
flat angles C4'-P-C4' energy: -74.168
flat angles P-C4'-P energy: -41.231
tors. eta vs tors. theta energy: -102.180
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: 5
=====================================
Write number: 126
Temperature: 1.000000
Total energy: -917.617007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -917.617007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -917.617007 (E_RNA)
where:
Base-Base interactions energy: -566.090
where: short stacking energy: -271.888
Base-Backbone interact. energy: -1.277
local terms energy: -350.250079
where:
bonds (distance) C4'-P energy: -64.302
bonds (distance) P-C4' energy: -76.223
flat angles C4'-P-C4' energy: -72.588
flat angles P-C4'-P energy: -50.974
tors. eta vs tors. theta energy: -86.162
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 126
Temperature: 1.050000
Total energy: -810.337322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -810.337322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -810.337322 (E_RNA)
where:
Base-Base interactions energy: -519.213
where: short stacking energy: -227.149
Base-Backbone interact. energy: -2.112
local terms energy: -289.012894
where:
bonds (distance) C4'-P energy: -57.897
bonds (distance) P-C4' energy: -65.027
flat angles C4'-P-C4' energy: -69.136
flat angles P-C4'-P energy: -28.921
tors. eta vs tors. theta energy: -68.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 126
Temperature: 1.100000
Total energy: -548.841580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.841580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.841580 (E_RNA)
where:
Base-Base interactions energy: -273.779
where: short stacking energy: -160.982
Base-Backbone interact. energy: 0.778
local terms energy: -275.840812
where:
bonds (distance) C4'-P energy: -52.094
bonds (distance) P-C4' energy: -71.422
flat angles C4'-P-C4' energy: -67.883
flat angles P-C4'-P energy: -50.851
tors. eta vs tors. theta energy: -33.590
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: 6, replica: 2
=====================================
Write number: 126
Temperature: 1.150000
Total energy: -554.355180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -554.355180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -554.355180 (E_RNA)
where:
Base-Base interactions energy: -294.185
where: short stacking energy: -171.456
Base-Backbone interact. energy: -1.808
local terms energy: -258.361732
where:
bonds (distance) C4'-P energy: -61.785
bonds (distance) P-C4' energy: -64.947
flat angles C4'-P-C4' energy: -64.783
flat angles P-C4'-P energy: -24.558
tors. eta vs tors. theta energy: -42.288
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: 9
=====================================
Write number: 126
Temperature: 1.200000
Total energy: -334.560308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.560308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.560308 (E_RNA)
where:
Base-Base interactions energy: -114.159
where: short stacking energy: -98.458
Base-Backbone interact. energy: -0.890
local terms energy: -219.511542
where:
bonds (distance) C4'-P energy: -61.081
bonds (distance) P-C4' energy: -69.444
flat angles C4'-P-C4' energy: -54.540
flat angles P-C4'-P energy: -33.181
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: 8, replica: 7
=====================================
Write number: 126
Temperature: 1.250000
Total energy: -361.881239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.881239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.881239 (E_RNA)
where:
Base-Base interactions energy: -143.865
where: short stacking energy: -121.902
Base-Backbone interact. energy: -0.261
local terms energy: -217.755561
where:
bonds (distance) C4'-P energy: -60.166
bonds (distance) P-C4' energy: -57.255
flat angles C4'-P-C4' energy: -50.939
flat angles P-C4'-P energy: -42.717
tors. eta vs tors. theta energy: -6.678
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 126
Temperature: 1.300000
Total energy: -320.350999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.350999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.350999 (E_RNA)
where:
Base-Base interactions energy: -120.708
where: short stacking energy: -110.049
Base-Backbone interact. energy: 5.307
local terms energy: -204.949926
where:
bonds (distance) C4'-P energy: -53.674
bonds (distance) P-C4' energy: -66.162
flat angles C4'-P-C4' energy: -47.120
flat angles P-C4'-P energy: -34.996
tors. eta vs tors. theta energy: -2.997
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: 10, replica: 10
=====================================
Write number: 126
Temperature: 1.350000
Total energy: -263.571192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.571192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.571192 (E_RNA)
where:
Base-Base interactions energy: -78.156
where: short stacking energy: -68.438
Base-Backbone interact. energy: -1.346
local terms energy: -184.069234
where:
bonds (distance) C4'-P energy: -66.294
bonds (distance) P-C4' energy: -53.398
flat angles C4'-P-C4' energy: -58.007
flat angles P-C4'-P energy: -17.959
tors. eta vs tors. theta energy: 11.589
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 127
Temperature: 0.900000
Total energy: -1114.539431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1114.539431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1114.539431 (E_RNA)
where:
Base-Base interactions energy: -754.425
where: short stacking energy: -330.434
Base-Backbone interact. energy: -1.564
local terms energy: -358.550184
where:
bonds (distance) C4'-P energy: -56.689
bonds (distance) P-C4' energy: -77.335
flat angles C4'-P-C4' energy: -75.249
flat angles P-C4'-P energy: -39.829
tors. eta vs tors. theta energy: -109.448
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: 1
=====================================
Write number: 127
Temperature: 0.950000
Total energy: -1009.543437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1009.543437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1009.543437 (E_RNA)
where:
Base-Base interactions energy: -673.227
where: short stacking energy: -292.637
Base-Backbone interact. energy: 2.099
local terms energy: -338.415711
where:
bonds (distance) C4'-P energy: -69.956
bonds (distance) P-C4' energy: -57.387
flat angles C4'-P-C4' energy: -63.202
flat angles P-C4'-P energy: -52.579
tors. eta vs tors. theta energy: -95.291
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: 5
=====================================
Write number: 127
Temperature: 1.000000
Total energy: -860.128984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -860.128984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -860.128984 (E_RNA)
where:
Base-Base interactions energy: -538.427
where: short stacking energy: -254.127
Base-Backbone interact. energy: -2.433
local terms energy: -319.268900
where:
bonds (distance) C4'-P energy: -64.885
bonds (distance) P-C4' energy: -69.175
flat angles C4'-P-C4' energy: -68.181
flat angles P-C4'-P energy: -39.322
tors. eta vs tors. theta energy: -77.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 127
Temperature: 1.050000
Total energy: -812.156456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -812.156456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -812.156456 (E_RNA)
where:
Base-Base interactions energy: -506.382
where: short stacking energy: -212.668
Base-Backbone interact. energy: -2.089
local terms energy: -303.685575
where:
bonds (distance) C4'-P energy: -72.676
bonds (distance) P-C4' energy: -68.556
flat angles C4'-P-C4' energy: -60.656
flat angles P-C4'-P energy: -38.118
tors. eta vs tors. theta energy: -63.679
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: 5, replica: 6
=====================================
Write number: 127
Temperature: 1.100000
Total energy: -571.230285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -571.230285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -571.230285 (E_RNA)
where:
Base-Base interactions energy: -307.718
where: short stacking energy: -184.996
Base-Backbone interact. energy: 0.368
local terms energy: -263.880040
where:
bonds (distance) C4'-P energy: -49.856
bonds (distance) P-C4' energy: -72.410
flat angles C4'-P-C4' energy: -56.806
flat angles P-C4'-P energy: -49.132
tors. eta vs tors. theta energy: -35.676
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 127
Temperature: 1.150000
Total energy: -593.454282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -593.454282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -593.454282 (E_RNA)
where:
Base-Base interactions energy: -332.881
where: short stacking energy: -165.897
Base-Backbone interact. energy: -0.697
local terms energy: -259.876255
where:
bonds (distance) C4'-P energy: -62.402
bonds (distance) P-C4' energy: -76.910
flat angles C4'-P-C4' energy: -60.565
flat angles P-C4'-P energy: -38.781
tors. eta vs tors. theta energy: -21.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 127
Temperature: 1.200000
Total energy: -329.065774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.065774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.065774 (E_RNA)
where:
Base-Base interactions energy: -94.004
where: short stacking energy: -72.293
Base-Backbone interact. energy: -0.221
local terms energy: -234.841169
where:
bonds (distance) C4'-P energy: -59.121
bonds (distance) P-C4' energy: -79.751
flat angles C4'-P-C4' energy: -49.313
flat angles P-C4'-P energy: -46.623
tors. eta vs tors. theta energy: -0.033
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: 8, replica: 7
=====================================
Write number: 127
Temperature: 1.250000
Total energy: -302.604287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.604287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.604287 (E_RNA)
where:
Base-Base interactions energy: -101.416
where: short stacking energy: -97.687
Base-Backbone interact. energy: -0.430
local terms energy: -200.758289
where:
bonds (distance) C4'-P energy: -51.597
bonds (distance) P-C4' energy: -56.867
flat angles C4'-P-C4' energy: -60.844
flat angles P-C4'-P energy: -28.916
tors. eta vs tors. theta energy: -2.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 127
Temperature: 1.300000
Total energy: -290.908212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.908212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.908212 (E_RNA)
where:
Base-Base interactions energy: -97.490
where: short stacking energy: -80.963
Base-Backbone interact. energy: 1.740
local terms energy: -195.157987
where:
bonds (distance) C4'-P energy: -51.510
bonds (distance) P-C4' energy: -63.804
flat angles C4'-P-C4' energy: -40.854
flat angles P-C4'-P energy: -41.010
tors. eta vs tors. theta energy: 2.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 127
Temperature: 1.350000
Total energy: -273.993212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.993212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.993212 (E_RNA)
where:
Base-Base interactions energy: -95.291
where: short stacking energy: -64.698
Base-Backbone interact. energy: -0.395
local terms energy: -178.306420
where:
bonds (distance) C4'-P energy: -65.989
bonds (distance) P-C4' energy: -63.186
flat angles C4'-P-C4' energy: -33.097
flat angles P-C4'-P energy: -30.021
tors. eta vs tors. theta energy: 13.986
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 128
Temperature: 0.900000
Total energy: -1105.604361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1105.604361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1105.604361 (E_RNA)
where:
Base-Base interactions energy: -728.392
where: short stacking energy: -337.326
Base-Backbone interact. energy: -1.857
local terms energy: -375.355357
where:
bonds (distance) C4'-P energy: -73.451
bonds (distance) P-C4' energy: -65.028
flat angles C4'-P-C4' energy: -80.286
flat angles P-C4'-P energy: -45.579
tors. eta vs tors. theta energy: -111.012
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: 1
=====================================
Write number: 128
Temperature: 0.950000
Total energy: -1028.768789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1028.768789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1028.768789 (E_RNA)
where:
Base-Base interactions energy: -693.022
where: short stacking energy: -310.146
Base-Backbone interact. energy: -0.151
local terms energy: -335.595277
where:
bonds (distance) C4'-P energy: -70.054
bonds (distance) P-C4' energy: -72.944
flat angles C4'-P-C4' energy: -56.737
flat angles P-C4'-P energy: -48.440
tors. eta vs tors. theta energy: -87.420
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: 3, replica: 5
=====================================
Write number: 128
Temperature: 1.000000
Total energy: -882.486526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -882.486526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -882.486526 (E_RNA)
where:
Base-Base interactions energy: -572.020
where: short stacking energy: -255.955
Base-Backbone interact. energy: -0.079
local terms energy: -310.387487
where:
bonds (distance) C4'-P energy: -64.204
bonds (distance) P-C4' energy: -67.654
flat angles C4'-P-C4' energy: -62.157
flat angles P-C4'-P energy: -42.408
tors. eta vs tors. theta energy: -73.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 128
Temperature: 1.050000
Total energy: -778.163021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -778.163021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -778.163021 (E_RNA)
where:
Base-Base interactions energy: -457.463
where: short stacking energy: -207.769
Base-Backbone interact. energy: 1.291
local terms energy: -321.991656
where:
bonds (distance) C4'-P energy: -75.540
bonds (distance) P-C4' energy: -69.569
flat angles C4'-P-C4' energy: -66.246
flat angles P-C4'-P energy: -50.471
tors. eta vs tors. theta energy: -60.165
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 128
Temperature: 1.100000
Total energy: -667.503068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -667.503068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -667.503068 (E_RNA)
where:
Base-Base interactions energy: -382.670
where: short stacking energy: -188.260
Base-Backbone interact. energy: -0.399
local terms energy: -284.434747
where:
bonds (distance) C4'-P energy: -63.381
bonds (distance) P-C4' energy: -61.755
flat angles C4'-P-C4' energy: -71.377
flat angles P-C4'-P energy: -41.640
tors. eta vs tors. theta energy: -46.282
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: 6, replica: 6
=====================================
Write number: 128
Temperature: 1.150000
Total energy: -558.111547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -558.111547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -558.111547 (E_RNA)
where:
Base-Base interactions energy: -305.152
where: short stacking energy: -168.679
Base-Backbone interact. energy: -1.946
local terms energy: -251.013617
where:
bonds (distance) C4'-P energy: -65.051
bonds (distance) P-C4' energy: -58.337
flat angles C4'-P-C4' energy: -60.654
flat angles P-C4'-P energy: -33.497
tors. eta vs tors. theta energy: -33.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 128
Temperature: 1.200000
Total energy: -363.695491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.695491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.695491 (E_RNA)
where:
Base-Base interactions energy: -145.628
where: short stacking energy: -94.055
Base-Backbone interact. energy: -1.638
local terms energy: -216.429665
where:
bonds (distance) C4'-P energy: -58.126
bonds (distance) P-C4' energy: -58.543
flat angles C4'-P-C4' energy: -60.935
flat angles P-C4'-P energy: -34.695
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: 8, replica: 7
=====================================
Write number: 128
Temperature: 1.250000
Total energy: -342.995100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.995100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.995100 (E_RNA)
where:
Base-Base interactions energy: -135.440
where: short stacking energy: -99.249
Base-Backbone interact. energy: 0.958
local terms energy: -208.513373
where:
bonds (distance) C4'-P energy: -66.993
bonds (distance) P-C4' energy: -43.622
flat angles C4'-P-C4' energy: -47.975
flat angles P-C4'-P energy: -38.641
tors. eta vs tors. theta energy: -11.283
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: 10
=====================================
Write number: 128
Temperature: 1.300000
Total energy: -274.488490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.488490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.488490 (E_RNA)
where:
Base-Base interactions energy: -100.191
where: short stacking energy: -60.355
Base-Backbone interact. energy: -1.960
local terms energy: -172.337472
where:
bonds (distance) C4'-P energy: -56.251
bonds (distance) P-C4' energy: -69.223
flat angles C4'-P-C4' energy: -42.069
flat angles P-C4'-P energy: -22.179
tors. eta vs tors. theta energy: 17.386
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: 10, replica: 8
=====================================
Write number: 128
Temperature: 1.350000
Total energy: -264.519538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.519538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.519538 (E_RNA)
where:
Base-Base interactions energy: -83.649
where: short stacking energy: -63.506
Base-Backbone interact. energy: -0.432
local terms energy: -180.438545
where:
bonds (distance) C4'-P energy: -58.745
bonds (distance) P-C4' energy: -53.876
flat angles C4'-P-C4' energy: -51.586
flat angles P-C4'-P energy: -34.648
tors. eta vs tors. theta energy: 18.416
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 129
Temperature: 0.900000
Total energy: -1102.307023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1102.307023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1102.307023 (E_RNA)
where:
Base-Base interactions energy: -729.076
where: short stacking energy: -335.369
Base-Backbone interact. energy: -1.193
local terms energy: -372.038433
where:
bonds (distance) C4'-P energy: -56.453
bonds (distance) P-C4' energy: -70.714
flat angles C4'-P-C4' energy: -81.771
flat angles P-C4'-P energy: -50.530
tors. eta vs tors. theta energy: -112.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 129
Temperature: 0.950000
Total energy: -999.615352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -999.615352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -999.615352 (E_RNA)
where:
Base-Base interactions energy: -649.408
where: short stacking energy: -282.380
Base-Backbone interact. energy: -2.090
local terms energy: -348.116781
where:
bonds (distance) C4'-P energy: -62.213
bonds (distance) P-C4' energy: -76.779
flat angles C4'-P-C4' energy: -68.017
flat angles P-C4'-P energy: -47.168
tors. eta vs tors. theta energy: -93.940
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 129
Temperature: 1.000000
Total energy: -868.865624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -868.865624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -868.865624 (E_RNA)
where:
Base-Base interactions energy: -548.878
where: short stacking energy: -250.430
Base-Backbone interact. energy: -1.252
local terms energy: -318.735619
where:
bonds (distance) C4'-P energy: -66.386
bonds (distance) P-C4' energy: -56.974
flat angles C4'-P-C4' energy: -75.680
flat angles P-C4'-P energy: -44.768
tors. eta vs tors. theta energy: -74.928
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 129
Temperature: 1.050000
Total energy: -774.114372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -774.114372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -774.114372 (E_RNA)
where:
Base-Base interactions energy: -482.416
where: short stacking energy: -224.900
Base-Backbone interact. energy: -1.031
local terms energy: -290.667088
where:
bonds (distance) C4'-P energy: -50.823
bonds (distance) P-C4' energy: -70.655
flat angles C4'-P-C4' energy: -70.630
flat angles P-C4'-P energy: -36.343
tors. eta vs tors. theta energy: -62.217
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: 2
=====================================
Write number: 129
Temperature: 1.100000
Total energy: -664.083642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -664.083642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -664.083642 (E_RNA)
where:
Base-Base interactions energy: -382.123
where: short stacking energy: -200.220
Base-Backbone interact. energy: -0.699
local terms energy: -281.262231
where:
bonds (distance) C4'-P energy: -59.257
bonds (distance) P-C4' energy: -61.570
flat angles C4'-P-C4' energy: -68.855
flat angles P-C4'-P energy: -43.249
tors. eta vs tors. theta energy: -48.332
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: 6
=====================================
Write number: 129
Temperature: 1.150000
Total energy: -560.834348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -560.834348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -560.834348 (E_RNA)
where:
Base-Base interactions energy: -312.865
where: short stacking energy: -143.871
Base-Backbone interact. energy: -2.033
local terms energy: -245.936737
where:
bonds (distance) C4'-P energy: -58.493
bonds (distance) P-C4' energy: -47.788
flat angles C4'-P-C4' energy: -68.567
flat angles P-C4'-P energy: -43.500
tors. eta vs tors. theta energy: -27.589
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 129
Temperature: 1.200000
Total energy: -336.502804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.502804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.502804 (E_RNA)
where:
Base-Base interactions energy: -133.925
where: short stacking energy: -96.999
Base-Backbone interact. energy: -2.317
local terms energy: -200.260576
where:
bonds (distance) C4'-P energy: -60.122
bonds (distance) P-C4' energy: -64.379
flat angles C4'-P-C4' energy: -46.405
flat angles P-C4'-P energy: -26.006
tors. eta vs tors. theta energy: -3.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 129
Temperature: 1.250000
Total energy: -310.789613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.789613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.789613 (E_RNA)
where:
Base-Base interactions energy: -122.143
where: short stacking energy: -96.721
Base-Backbone interact. energy: -1.136
local terms energy: -187.510839
where:
bonds (distance) C4'-P energy: -43.245
bonds (distance) P-C4' energy: -67.070
flat angles C4'-P-C4' energy: -49.478
flat angles P-C4'-P energy: -32.900
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: 9, replica: 7
=====================================
Write number: 129
Temperature: 1.300000
Total energy: -284.879096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.879096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.879096 (E_RNA)
where:
Base-Base interactions energy: -96.381
where: short stacking energy: -73.479
Base-Backbone interact. energy: 0.577
local terms energy: -189.074955
where:
bonds (distance) C4'-P energy: -48.370
bonds (distance) P-C4' energy: -70.270
flat angles C4'-P-C4' energy: -54.884
flat angles P-C4'-P energy: -21.231
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: 10, replica: 8
=====================================
Write number: 129
Temperature: 1.350000
Total energy: -273.317349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.317349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.317349 (E_RNA)
where:
Base-Base interactions energy: -90.024
where: short stacking energy: -77.678
Base-Backbone interact. energy: -1.900
local terms energy: -181.393685
where:
bonds (distance) C4'-P energy: -65.693
bonds (distance) P-C4' energy: -48.499
flat angles C4'-P-C4' energy: -51.321
flat angles P-C4'-P energy: -22.740
tors. eta vs tors. theta energy: 6.860
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 130
Temperature: 0.900000
Total energy: -1041.606584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1041.606584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1041.606584 (E_RNA)
where:
Base-Base interactions energy: -677.906
where: short stacking energy: -298.540
Base-Backbone interact. energy: 1.410
local terms energy: -365.110373
where:
bonds (distance) C4'-P energy: -62.117
bonds (distance) P-C4' energy: -72.892
flat angles C4'-P-C4' energy: -73.597
flat angles P-C4'-P energy: -58.583
tors. eta vs tors. theta energy: -97.921
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: 4
=====================================
Write number: 130
Temperature: 0.950000
Total energy: -1063.152886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1063.152886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1063.152886 (E_RNA)
where:
Base-Base interactions energy: -705.930
where: short stacking energy: -294.319
Base-Backbone interact. energy: -0.749
local terms energy: -356.473810
where:
bonds (distance) C4'-P energy: -71.120
bonds (distance) P-C4' energy: -71.503
flat angles C4'-P-C4' energy: -72.803
flat angles P-C4'-P energy: -45.627
tors. eta vs tors. theta energy: -95.420
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: 3, replica: 5
=====================================
Write number: 130
Temperature: 1.000000
Total energy: -869.845968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -869.845968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -869.845968 (E_RNA)
where:
Base-Base interactions energy: -547.363
where: short stacking energy: -261.269
Base-Backbone interact. energy: -1.194
local terms energy: -321.288889
where:
bonds (distance) C4'-P energy: -56.901
bonds (distance) P-C4' energy: -72.812
flat angles C4'-P-C4' energy: -75.620
flat angles P-C4'-P energy: -38.110
tors. eta vs tors. theta energy: -77.847
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 130
Temperature: 1.050000
Total energy: -813.321208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -813.321208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -813.321208 (E_RNA)
where:
Base-Base interactions energy: -512.082
where: short stacking energy: -211.928
Base-Backbone interact. energy: 0.573
local terms energy: -301.811661
where:
bonds (distance) C4'-P energy: -59.270
bonds (distance) P-C4' energy: -67.124
flat angles C4'-P-C4' energy: -71.488
flat angles P-C4'-P energy: -39.193
tors. eta vs tors. theta energy: -64.738
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 130
Temperature: 1.100000
Total energy: -673.408405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -673.408405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -673.408405 (E_RNA)
where:
Base-Base interactions energy: -401.092
where: short stacking energy: -212.515
Base-Backbone interact. energy: -2.501
local terms energy: -269.815076
where:
bonds (distance) C4'-P energy: -65.072
bonds (distance) P-C4' energy: -58.057
flat angles C4'-P-C4' energy: -58.485
flat angles P-C4'-P energy: -41.102
tors. eta vs tors. theta energy: -47.099
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 130
Temperature: 1.150000
Total energy: -553.030765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -553.030765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -553.030765 (E_RNA)
where:
Base-Base interactions energy: -298.208
where: short stacking energy: -161.141
Base-Backbone interact. energy: -2.898
local terms energy: -251.925394
where:
bonds (distance) C4'-P energy: -52.135
bonds (distance) P-C4' energy: -66.317
flat angles C4'-P-C4' energy: -60.778
flat angles P-C4'-P energy: -42.334
tors. eta vs tors. theta energy: -30.362
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: 7, replica: 10
=====================================
Write number: 130
Temperature: 1.200000
Total energy: -358.665731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.665731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.665731 (E_RNA)
where:
Base-Base interactions energy: -133.591
where: short stacking energy: -105.095
Base-Backbone interact. energy: -0.231
local terms energy: -224.843245
where:
bonds (distance) C4'-P energy: -65.117
bonds (distance) P-C4' energy: -65.454
flat angles C4'-P-C4' energy: -52.964
flat angles P-C4'-P energy: -37.769
tors. eta vs tors. theta energy: -3.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 130
Temperature: 1.250000
Total energy: -335.579417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.579417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.579417 (E_RNA)
where:
Base-Base interactions energy: -114.681
where: short stacking energy: -97.110
Base-Backbone interact. energy: -0.993
local terms energy: -219.904744
where:
bonds (distance) C4'-P energy: -65.916
bonds (distance) P-C4' energy: -50.409
flat angles C4'-P-C4' energy: -57.645
flat angles P-C4'-P energy: -39.676
tors. eta vs tors. theta energy: -6.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 130
Temperature: 1.300000
Total energy: -287.967681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.967681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.967681 (E_RNA)
where:
Base-Base interactions energy: -97.120
where: short stacking energy: -88.150
Base-Backbone interact. energy: 1.405
local terms energy: -192.252735
where:
bonds (distance) C4'-P energy: -50.876
bonds (distance) P-C4' energy: -58.006
flat angles C4'-P-C4' energy: -52.979
flat angles P-C4'-P energy: -30.832
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: 10, replica: 7
=====================================
Write number: 130
Temperature: 1.350000
Total energy: -263.989724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.989724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.989724 (E_RNA)
where:
Base-Base interactions energy: -100.156
where: short stacking energy: -88.740
Base-Backbone interact. energy: 0.409
local terms energy: -164.242419
where:
bonds (distance) C4'-P energy: -59.011
bonds (distance) P-C4' energy: -52.364
flat angles C4'-P-C4' energy: -38.519
flat angles P-C4'-P energy: -21.158
tors. eta vs tors. theta energy: 6.809
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 131
Temperature: 0.900000
Total energy: -1033.961624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1033.961624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1033.961624 (E_RNA)
where:
Base-Base interactions energy: -686.818
where: short stacking energy: -290.049
Base-Backbone interact. energy: -0.657
local terms energy: -346.486148
where:
bonds (distance) C4'-P energy: -74.593
bonds (distance) P-C4' energy: -65.392
flat angles C4'-P-C4' energy: -70.017
flat angles P-C4'-P energy: -48.147
tors. eta vs tors. theta energy: -88.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 131
Temperature: 0.950000
Total energy: -1035.466930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1035.466930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1035.466930 (E_RNA)
where:
Base-Base interactions energy: -681.993
where: short stacking energy: -302.906
Base-Backbone interact. energy: -1.076
local terms energy: -352.397580
where:
bonds (distance) C4'-P energy: -73.492
bonds (distance) P-C4' energy: -74.582
flat angles C4'-P-C4' energy: -58.450
flat angles P-C4'-P energy: -43.805
tors. eta vs tors. theta energy: -102.068
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: 5
=====================================
Write number: 131
Temperature: 1.000000
Total energy: -939.060989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -939.060989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -939.060989 (E_RNA)
where:
Base-Base interactions energy: -594.167
where: short stacking energy: -303.136
Base-Backbone interact. energy: -0.408
local terms energy: -344.485483
where:
bonds (distance) C4'-P energy: -56.814
bonds (distance) P-C4' energy: -64.705
flat angles C4'-P-C4' energy: -75.839
flat angles P-C4'-P energy: -46.000
tors. eta vs tors. theta energy: -101.127
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 131
Temperature: 1.050000
Total energy: -895.105265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -895.105265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -895.105265 (E_RNA)
where:
Base-Base interactions energy: -567.510
where: short stacking energy: -252.521
Base-Backbone interact. energy: -0.826
local terms energy: -326.769128
where:
bonds (distance) C4'-P energy: -73.561
bonds (distance) P-C4' energy: -63.938
flat angles C4'-P-C4' energy: -65.831
flat angles P-C4'-P energy: -49.682
tors. eta vs tors. theta energy: -73.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 131
Temperature: 1.100000
Total energy: -664.174136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -664.174136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -664.174136 (E_RNA)
where:
Base-Base interactions energy: -382.831
where: short stacking energy: -183.805
Base-Backbone interact. energy: -0.314
local terms energy: -281.028763
where:
bonds (distance) C4'-P energy: -57.851
bonds (distance) P-C4' energy: -66.489
flat angles C4'-P-C4' energy: -62.765
flat angles P-C4'-P energy: -37.898
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: 6, replica: 6
=====================================
Write number: 131
Temperature: 1.150000
Total energy: -555.925379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -555.925379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -555.925379 (E_RNA)
where:
Base-Base interactions energy: -310.966
where: short stacking energy: -145.320
Base-Backbone interact. energy: 3.196
local terms energy: -248.155872
where:
bonds (distance) C4'-P energy: -59.978
bonds (distance) P-C4' energy: -71.230
flat angles C4'-P-C4' energy: -55.635
flat angles P-C4'-P energy: -36.496
tors. eta vs tors. theta energy: -24.816
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 131
Temperature: 1.200000
Total energy: -336.932166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.932166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.932166 (E_RNA)
where:
Base-Base interactions energy: -121.658
where: short stacking energy: -101.657
Base-Backbone interact. energy: 0.539
local terms energy: -215.813125
where:
bonds (distance) C4'-P energy: -59.854
bonds (distance) P-C4' energy: -67.835
flat angles C4'-P-C4' energy: -52.496
flat angles P-C4'-P energy: -34.184
tors. eta vs tors. theta energy: -1.445
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 131
Temperature: 1.250000
Total energy: -327.380971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.380971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.380971 (E_RNA)
where:
Base-Base interactions energy: -127.382
where: short stacking energy: -104.040
Base-Backbone interact. energy: -0.762
local terms energy: -199.237375
where:
bonds (distance) C4'-P energy: -39.894
bonds (distance) P-C4' energy: -63.479
flat angles C4'-P-C4' energy: -57.648
flat angles P-C4'-P energy: -43.248
tors. eta vs tors. theta energy: 5.031
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 131
Temperature: 1.300000
Total energy: -284.692627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.692627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.692627 (E_RNA)
where:
Base-Base interactions energy: -99.037
where: short stacking energy: -61.935
Base-Backbone interact. energy: 1.140
local terms energy: -186.795849
where:
bonds (distance) C4'-P energy: -54.166
bonds (distance) P-C4' energy: -63.477
flat angles C4'-P-C4' energy: -51.208
flat angles P-C4'-P energy: -32.828
tors. eta vs tors. theta energy: 14.884
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 131
Temperature: 1.350000
Total energy: -264.775212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.775212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.775212 (E_RNA)
where:
Base-Base interactions energy: -84.706
where: short stacking energy: -51.774
Base-Backbone interact. energy: -2.064
local terms energy: -178.005678
where:
bonds (distance) C4'-P energy: -51.694
bonds (distance) P-C4' energy: -68.075
flat angles C4'-P-C4' energy: -54.738
flat angles P-C4'-P energy: -17.505
tors. eta vs tors. theta energy: 14.006
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 132
Temperature: 0.900000
Total energy: -1061.885170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1061.885170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1061.885170 (E_RNA)
where:
Base-Base interactions energy: -684.453
where: short stacking energy: -317.536
Base-Backbone interact. energy: 0.242
local terms energy: -377.674193
where:
bonds (distance) C4'-P energy: -65.961
bonds (distance) P-C4' energy: -72.377
flat angles C4'-P-C4' energy: -80.084
flat angles P-C4'-P energy: -51.813
tors. eta vs tors. theta energy: -107.439
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: 2, replica: 1
=====================================
Write number: 132
Temperature: 0.950000
Total energy: -1017.053400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1017.053400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1017.053400 (E_RNA)
where:
Base-Base interactions energy: -661.132
where: short stacking energy: -317.303
Base-Backbone interact. energy: 0.479
local terms energy: -356.400499
where:
bonds (distance) C4'-P energy: -60.716
bonds (distance) P-C4' energy: -70.729
flat angles C4'-P-C4' energy: -74.748
flat angles P-C4'-P energy: -46.709
tors. eta vs tors. theta energy: -103.498
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 132
Temperature: 1.000000
Total energy: -924.734726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -924.734726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -924.734726 (E_RNA)
where:
Base-Base interactions energy: -572.476
where: short stacking energy: -274.843
Base-Backbone interact. energy: -2.871
local terms energy: -349.387740
where:
bonds (distance) C4'-P energy: -64.471
bonds (distance) P-C4' energy: -67.847
flat angles C4'-P-C4' energy: -76.312
flat angles P-C4'-P energy: -48.393
tors. eta vs tors. theta energy: -92.365
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: 3
=====================================
Write number: 132
Temperature: 1.050000
Total energy: -888.254597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -888.254597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -888.254597 (E_RNA)
where:
Base-Base interactions energy: -587.748
where: short stacking energy: -246.987
Base-Backbone interact. energy: 1.068
local terms energy: -301.574467
where:
bonds (distance) C4'-P energy: -59.834
bonds (distance) P-C4' energy: -59.435
flat angles C4'-P-C4' energy: -71.007
flat angles P-C4'-P energy: -42.615
tors. eta vs tors. theta energy: -68.684
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: 2
=====================================
Write number: 132
Temperature: 1.100000
Total energy: -658.850001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -658.850001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -658.850001 (E_RNA)
where:
Base-Base interactions energy: -397.352
where: short stacking energy: -206.272
Base-Backbone interact. energy: -0.924
local terms energy: -260.573185
where:
bonds (distance) C4'-P energy: -48.282
bonds (distance) P-C4' energy: -60.548
flat angles C4'-P-C4' energy: -63.762
flat angles P-C4'-P energy: -39.682
tors. eta vs tors. theta energy: -48.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 132
Temperature: 1.150000
Total energy: -564.382725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -564.382725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -564.382725 (E_RNA)
where:
Base-Base interactions energy: -328.262
where: short stacking energy: -157.223
Base-Backbone interact. energy: 0.839
local terms energy: -236.960308
where:
bonds (distance) C4'-P energy: -63.551
bonds (distance) P-C4' energy: -56.219
flat angles C4'-P-C4' energy: -56.667
flat angles P-C4'-P energy: -30.089
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: 9
=====================================
Write number: 132
Temperature: 1.200000
Total energy: -328.668459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.668459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.668459 (E_RNA)
where:
Base-Base interactions energy: -128.089
where: short stacking energy: -102.799
Base-Backbone interact. energy: 0.249
local terms energy: -200.828719
where:
bonds (distance) C4'-P energy: -62.628
bonds (distance) P-C4' energy: -60.739
flat angles C4'-P-C4' energy: -50.503
flat angles P-C4'-P energy: -24.051
tors. eta vs tors. theta energy: -2.907
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: 132
Temperature: 1.250000
Total energy: -323.630083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.630083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.630083 (E_RNA)
where:
Base-Base interactions energy: -115.408
where: short stacking energy: -62.809
Base-Backbone interact. energy: -0.440
local terms energy: -207.782376
where:
bonds (distance) C4'-P energy: -62.732
bonds (distance) P-C4' energy: -63.309
flat angles C4'-P-C4' energy: -51.730
flat angles P-C4'-P energy: -37.742
tors. eta vs tors. theta energy: 7.730
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 132
Temperature: 1.300000
Total energy: -286.808019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.808019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.808019 (E_RNA)
where:
Base-Base interactions energy: -119.516
where: short stacking energy: -90.324
Base-Backbone interact. energy: 2.865
local terms energy: -170.157001
where:
bonds (distance) C4'-P energy: -48.206
bonds (distance) P-C4' energy: -51.722
flat angles C4'-P-C4' energy: -46.299
flat angles P-C4'-P energy: -31.320
tors. eta vs tors. theta energy: 7.390
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 132
Temperature: 1.350000
Total energy: -277.023563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.023563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.023563 (E_RNA)
where:
Base-Base interactions energy: -95.146
where: short stacking energy: -78.697
Base-Backbone interact. energy: 1.826
local terms energy: -183.704162
where:
bonds (distance) C4'-P energy: -50.736
bonds (distance) P-C4' energy: -58.750
flat angles C4'-P-C4' energy: -50.579
flat angles P-C4'-P energy: -36.047
tors. eta vs tors. theta energy: 12.408
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 133
Temperature: 0.900000
Total energy: -1085.504377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1085.504377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1085.504377 (E_RNA)
where:
Base-Base interactions energy: -723.356
where: short stacking energy: -332.558
Base-Backbone interact. energy: -0.926
local terms energy: -361.221906
where:
bonds (distance) C4'-P energy: -68.986
bonds (distance) P-C4' energy: -52.461
flat angles C4'-P-C4' energy: -75.129
flat angles P-C4'-P energy: -48.064
tors. eta vs tors. theta energy: -116.581
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 133
Temperature: 0.950000
Total energy: -988.843875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -988.843875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -988.843875 (E_RNA)
where:
Base-Base interactions energy: -636.441
where: short stacking energy: -284.037
Base-Backbone interact. energy: -2.354
local terms energy: -350.048293
where:
bonds (distance) C4'-P energy: -66.497
bonds (distance) P-C4' energy: -62.333
flat angles C4'-P-C4' energy: -75.724
flat angles P-C4'-P energy: -52.079
tors. eta vs tors. theta energy: -93.414
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: 3, replica: 5
=====================================
Write number: 133
Temperature: 1.000000
Total energy: -924.785463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -924.785463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -924.785463 (E_RNA)
where:
Base-Base interactions energy: -582.919
where: short stacking energy: -281.744
Base-Backbone interact. energy: -1.027
local terms energy: -340.839759
where:
bonds (distance) C4'-P energy: -53.819
bonds (distance) P-C4' energy: -70.582
flat angles C4'-P-C4' energy: -67.635
flat angles P-C4'-P energy: -57.779
tors. eta vs tors. theta energy: -91.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 133
Temperature: 1.050000
Total energy: -860.547325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -860.547325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -860.547325 (E_RNA)
where:
Base-Base interactions energy: -555.940
where: short stacking energy: -232.876
Base-Backbone interact. energy: 1.640
local terms energy: -306.247101
where:
bonds (distance) C4'-P energy: -55.828
bonds (distance) P-C4' energy: -64.531
flat angles C4'-P-C4' energy: -72.067
flat angles P-C4'-P energy: -44.273
tors. eta vs tors. theta energy: -69.549
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 133
Temperature: 1.100000
Total energy: -672.938402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -672.938402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -672.938402 (E_RNA)
where:
Base-Base interactions energy: -381.049
where: short stacking energy: -197.778
Base-Backbone interact. energy: 1.014
local terms energy: -292.903920
where:
bonds (distance) C4'-P energy: -66.365
bonds (distance) P-C4' energy: -55.099
flat angles C4'-P-C4' energy: -70.569
flat angles P-C4'-P energy: -49.371
tors. eta vs tors. theta energy: -51.500
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 133
Temperature: 1.150000
Total energy: -580.423449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -580.423449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -580.423449 (E_RNA)
where:
Base-Base interactions energy: -327.565
where: short stacking energy: -177.769
Base-Backbone interact. energy: 8.080
local terms energy: -260.938141
where:
bonds (distance) C4'-P energy: -63.337
bonds (distance) P-C4' energy: -48.441
flat angles C4'-P-C4' energy: -67.256
flat angles P-C4'-P energy: -45.596
tors. eta vs tors. theta energy: -36.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 133
Temperature: 1.200000
Total energy: -370.561982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.561982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.561982 (E_RNA)
where:
Base-Base interactions energy: -130.284
where: short stacking energy: -117.079
Base-Backbone interact. energy: 1.369
local terms energy: -241.646431
where:
bonds (distance) C4'-P energy: -54.644
bonds (distance) P-C4' energy: -72.533
flat angles C4'-P-C4' energy: -57.873
flat angles P-C4'-P energy: -42.606
tors. eta vs tors. theta energy: -13.991
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 133
Temperature: 1.250000
Total energy: -311.790181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.790181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.790181 (E_RNA)
where:
Base-Base interactions energy: -125.398
where: short stacking energy: -99.020
Base-Backbone interact. energy: 0.216
local terms energy: -186.608592
where:
bonds (distance) C4'-P energy: -51.070
bonds (distance) P-C4' energy: -66.085
flat angles C4'-P-C4' energy: -50.643
flat angles P-C4'-P energy: -25.994
tors. eta vs tors. theta energy: 7.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 133
Temperature: 1.300000
Total energy: -302.663167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.663167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.663167 (E_RNA)
where:
Base-Base interactions energy: -93.236
where: short stacking energy: -77.933
Base-Backbone interact. energy: -0.239
local terms energy: -209.188854
where:
bonds (distance) C4'-P energy: -49.042
bonds (distance) P-C4' energy: -56.403
flat angles C4'-P-C4' energy: -64.509
flat angles P-C4'-P energy: -38.656
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: 10, replica: 7
=====================================
Write number: 133
Temperature: 1.350000
Total energy: -264.302271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.302271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.302271 (E_RNA)
where:
Base-Base interactions energy: -78.554
where: short stacking energy: -66.933
Base-Backbone interact. energy: -2.633
local terms energy: -183.114658
where:
bonds (distance) C4'-P energy: -60.311
bonds (distance) P-C4' energy: -62.630
flat angles C4'-P-C4' energy: -48.235
flat angles P-C4'-P energy: -21.653
tors. eta vs tors. theta energy: 9.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 134
Temperature: 0.900000
Total energy: -1085.908231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1085.908231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1085.908231 (E_RNA)
where:
Base-Base interactions energy: -718.470
where: short stacking energy: -325.663
Base-Backbone interact. energy: -1.539
local terms energy: -365.899146
where:
bonds (distance) C4'-P energy: -67.600
bonds (distance) P-C4' energy: -67.195
flat angles C4'-P-C4' energy: -73.501
flat angles P-C4'-P energy: -50.568
tors. eta vs tors. theta energy: -107.035
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 134
Temperature: 0.950000
Total energy: -993.987182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -993.987182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -993.987182 (E_RNA)
where:
Base-Base interactions energy: -658.660
where: short stacking energy: -284.124
Base-Backbone interact. energy: 0.388
local terms energy: -335.715017
where:
bonds (distance) C4'-P energy: -62.571
bonds (distance) P-C4' energy: -62.174
flat angles C4'-P-C4' energy: -75.869
flat angles P-C4'-P energy: -41.778
tors. eta vs tors. theta energy: -93.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 134
Temperature: 1.000000
Total energy: -905.930989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -905.930989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -905.930989 (E_RNA)
where:
Base-Base interactions energy: -572.635
where: short stacking energy: -290.448
Base-Backbone interact. energy: 0.989
local terms energy: -334.285768
where:
bonds (distance) C4'-P energy: -67.870
bonds (distance) P-C4' energy: -63.475
flat angles C4'-P-C4' energy: -69.243
flat angles P-C4'-P energy: -46.723
tors. eta vs tors. theta energy: -86.975
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: 4, replica: 3
=====================================
Write number: 134
Temperature: 1.050000
Total energy: -873.762210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -873.762210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -873.762210 (E_RNA)
where:
Base-Base interactions energy: -576.658
where: short stacking energy: -257.526
Base-Backbone interact. energy: -0.110
local terms energy: -296.994091
where:
bonds (distance) C4'-P energy: -51.177
bonds (distance) P-C4' energy: -60.202
flat angles C4'-P-C4' energy: -71.473
flat angles P-C4'-P energy: -40.126
tors. eta vs tors. theta energy: -74.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 134
Temperature: 1.100000
Total energy: -653.871471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -653.871471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -653.871471 (E_RNA)
where:
Base-Base interactions energy: -392.703
where: short stacking energy: -201.379
Base-Backbone interact. energy: -0.193
local terms energy: -260.975427
where:
bonds (distance) C4'-P energy: -59.000
bonds (distance) P-C4' energy: -60.121
flat angles C4'-P-C4' energy: -50.427
flat angles P-C4'-P energy: -44.883
tors. eta vs tors. theta energy: -46.545
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: 6
=====================================
Write number: 134
Temperature: 1.150000
Total energy: -562.444942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -562.444942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -562.444942 (E_RNA)
where:
Base-Base interactions energy: -319.315
where: short stacking energy: -150.357
Base-Backbone interact. energy: 0.919
local terms energy: -244.048692
where:
bonds (distance) C4'-P energy: -56.280
bonds (distance) P-C4' energy: -59.947
flat angles C4'-P-C4' energy: -53.926
flat angles P-C4'-P energy: -41.250
tors. eta vs tors. theta energy: -32.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 134
Temperature: 1.200000
Total energy: -361.831673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.831673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.831673 (E_RNA)
where:
Base-Base interactions energy: -141.174
where: short stacking energy: -105.810
Base-Backbone interact. energy: -1.453
local terms energy: -219.204878
where:
bonds (distance) C4'-P energy: -60.656
bonds (distance) P-C4' energy: -59.068
flat angles C4'-P-C4' energy: -62.001
flat angles P-C4'-P energy: -35.632
tors. eta vs tors. theta energy: -1.848
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 134
Temperature: 1.250000
Total energy: -317.590732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.590732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.590732 (E_RNA)
where:
Base-Base interactions energy: -117.885
where: short stacking energy: -91.014
Base-Backbone interact. energy: -0.879
local terms energy: -198.827565
where:
bonds (distance) C4'-P energy: -51.261
bonds (distance) P-C4' energy: -48.509
flat angles C4'-P-C4' energy: -58.946
flat angles P-C4'-P energy: -44.186
tors. eta vs tors. theta energy: 4.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 134
Temperature: 1.300000
Total energy: -293.034933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.034933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.034933 (E_RNA)
where:
Base-Base interactions energy: -95.735
where: short stacking energy: -68.276
Base-Backbone interact. energy: -1.147
local terms energy: -196.152916
where:
bonds (distance) C4'-P energy: -58.307
bonds (distance) P-C4' energy: -72.717
flat angles C4'-P-C4' energy: -49.673
flat angles P-C4'-P energy: -27.440
tors. eta vs tors. theta energy: 11.985
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 134
Temperature: 1.350000
Total energy: -272.348095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.348095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.348095 (E_RNA)
where:
Base-Base interactions energy: -96.584
where: short stacking energy: -81.024
Base-Backbone interact. energy: -0.868
local terms energy: -174.895828
where:
bonds (distance) C4'-P energy: -47.815
bonds (distance) P-C4' energy: -67.055
flat angles C4'-P-C4' energy: -46.568
flat angles P-C4'-P energy: -25.773
tors. eta vs tors. theta energy: 12.314
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: 4
=====================================
Write number: 135
Temperature: 0.900000
Total energy: -1098.243998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1098.243998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1098.243998 (E_RNA)
where:
Base-Base interactions energy: -719.599
where: short stacking energy: -329.905
Base-Backbone interact. energy: -0.547
local terms energy: -378.098433
where:
bonds (distance) C4'-P energy: -65.306
bonds (distance) P-C4' energy: -68.146
flat angles C4'-P-C4' energy: -83.088
flat angles P-C4'-P energy: -47.117
tors. eta vs tors. theta energy: -114.442
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: 135
Temperature: 0.950000
Total energy: -1012.363191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1012.363191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1012.363191 (E_RNA)
where:
Base-Base interactions energy: -672.054
where: short stacking energy: -282.839
Base-Backbone interact. energy: -0.158
local terms energy: -340.151299
where:
bonds (distance) C4'-P energy: -74.073
bonds (distance) P-C4' energy: -60.460
flat angles C4'-P-C4' energy: -70.389
flat angles P-C4'-P energy: -48.590
tors. eta vs tors. theta energy: -86.640
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: 5
=====================================
Write number: 135
Temperature: 1.000000
Total energy: -898.737824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -898.737824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -898.737824 (E_RNA)
where:
Base-Base interactions energy: -562.741
where: short stacking energy: -269.998
Base-Backbone interact. energy: -1.550
local terms energy: -334.447210
where:
bonds (distance) C4'-P energy: -61.855
bonds (distance) P-C4' energy: -56.378
flat angles C4'-P-C4' energy: -78.734
flat angles P-C4'-P energy: -49.878
tors. eta vs tors. theta energy: -87.603
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: 3
=====================================
Write number: 135
Temperature: 1.050000
Total energy: -875.919838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -875.919838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -875.919838 (E_RNA)
where:
Base-Base interactions energy: -562.749
where: short stacking energy: -255.000
Base-Backbone interact. energy: -0.064
local terms energy: -313.106252
where:
bonds (distance) C4'-P energy: -61.802
bonds (distance) P-C4' energy: -61.597
flat angles C4'-P-C4' energy: -72.852
flat angles P-C4'-P energy: -47.325
tors. eta vs tors. theta energy: -69.530
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 135
Temperature: 1.100000
Total energy: -602.917255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -602.917255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -602.917255 (E_RNA)
where:
Base-Base interactions energy: -347.024
where: short stacking energy: -160.236
Base-Backbone interact. energy: -2.256
local terms energy: -253.637706
where:
bonds (distance) C4'-P energy: -64.526
bonds (distance) P-C4' energy: -66.054
flat angles C4'-P-C4' energy: -59.029
flat angles P-C4'-P energy: -36.564
tors. eta vs tors. theta energy: -27.465
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 135
Temperature: 1.150000
Total energy: -580.670094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -580.670094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -580.670094 (E_RNA)
where:
Base-Base interactions energy: -292.438
where: short stacking energy: -156.709
Base-Backbone interact. energy: -0.884
local terms energy: -287.347560
where:
bonds (distance) C4'-P energy: -70.005
bonds (distance) P-C4' energy: -60.649
flat angles C4'-P-C4' energy: -67.841
flat angles P-C4'-P energy: -50.024
tors. eta vs tors. theta energy: -38.829
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: 7, replica: 9
=====================================
Write number: 135
Temperature: 1.200000
Total energy: -346.633991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.633991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.633991 (E_RNA)
where:
Base-Base interactions energy: -130.757
where: short stacking energy: -100.313
Base-Backbone interact. energy: 3.014
local terms energy: -218.890834
where:
bonds (distance) C4'-P energy: -59.060
bonds (distance) P-C4' energy: -61.992
flat angles C4'-P-C4' energy: -56.262
flat angles P-C4'-P energy: -36.751
tors. eta vs tors. theta energy: -4.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 135
Temperature: 1.250000
Total energy: -336.377953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.377953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.377953 (E_RNA)
where:
Base-Base interactions energy: -162.103
where: short stacking energy: -93.846
Base-Backbone interact. energy: 0.157
local terms energy: -174.432610
where:
bonds (distance) C4'-P energy: -50.993
bonds (distance) P-C4' energy: -58.886
flat angles C4'-P-C4' energy: -49.260
flat angles P-C4'-P energy: -29.562
tors. eta vs tors. theta energy: 14.270
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 135
Temperature: 1.300000
Total energy: -308.002085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.002085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.002085 (E_RNA)
where:
Base-Base interactions energy: -105.297
where: short stacking energy: -81.437
Base-Backbone interact. energy: 3.916
local terms energy: -206.621207
where:
bonds (distance) C4'-P energy: -57.415
bonds (distance) P-C4' energy: -62.326
flat angles C4'-P-C4' energy: -49.040
flat angles P-C4'-P energy: -29.999
tors. eta vs tors. theta energy: -7.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 135
Temperature: 1.350000
Total energy: -282.732679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.732679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.732679 (E_RNA)
where:
Base-Base interactions energy: -90.326
where: short stacking energy: -72.214
Base-Backbone interact. energy: 1.475
local terms energy: -193.880949
where:
bonds (distance) C4'-P energy: -62.009
bonds (distance) P-C4' energy: -62.799
flat angles C4'-P-C4' energy: -39.149
flat angles P-C4'-P energy: -41.153
tors. eta vs tors. theta energy: 11.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 136
Temperature: 0.900000
Total energy: -1119.085563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1119.085563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1119.085563 (E_RNA)
where:
Base-Base interactions energy: -745.715
where: short stacking energy: -339.312
Base-Backbone interact. energy: -2.153
local terms energy: -371.217758
where:
bonds (distance) C4'-P energy: -66.039
bonds (distance) P-C4' energy: -63.375
flat angles C4'-P-C4' energy: -76.605
flat angles P-C4'-P energy: -47.416
tors. eta vs tors. theta energy: -117.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 136
Temperature: 0.950000
Total energy: -1016.956325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1016.956325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1016.956325 (E_RNA)
where:
Base-Base interactions energy: -659.664
where: short stacking energy: -275.095
Base-Backbone interact. energy: 1.484
local terms energy: -358.776417
where:
bonds (distance) C4'-P energy: -66.201
bonds (distance) P-C4' energy: -74.297
flat angles C4'-P-C4' energy: -83.342
flat angles P-C4'-P energy: -49.206
tors. eta vs tors. theta energy: -85.730
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: 5
=====================================
Write number: 136
Temperature: 1.000000
Total energy: -905.349259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -905.349259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -905.349259 (E_RNA)
where:
Base-Base interactions energy: -562.481
where: short stacking energy: -294.376
Base-Backbone interact. energy: 0.150
local terms energy: -343.018389
where:
bonds (distance) C4'-P energy: -69.542
bonds (distance) P-C4' energy: -71.491
flat angles C4'-P-C4' energy: -60.664
flat angles P-C4'-P energy: -48.625
tors. eta vs tors. theta energy: -92.697
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: 136
Temperature: 1.050000
Total energy: -860.274054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -860.274054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -860.274054 (E_RNA)
where:
Base-Base interactions energy: -536.410
where: short stacking energy: -267.729
Base-Backbone interact. energy: 1.648
local terms energy: -325.511885
where:
bonds (distance) C4'-P energy: -63.721
bonds (distance) P-C4' energy: -70.680
flat angles C4'-P-C4' energy: -73.694
flat angles P-C4'-P energy: -44.176
tors. eta vs tors. theta energy: -73.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 136
Temperature: 1.100000
Total energy: -610.218731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -610.218731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -610.218731 (E_RNA)
where:
Base-Base interactions energy: -318.190
where: short stacking energy: -155.810
Base-Backbone interact. energy: -0.379
local terms energy: -291.649989
where:
bonds (distance) C4'-P energy: -74.145
bonds (distance) P-C4' energy: -68.096
flat angles C4'-P-C4' energy: -61.987
flat angles P-C4'-P energy: -35.519
tors. eta vs tors. theta energy: -51.903
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 136
Temperature: 1.150000
Total energy: -571.324089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -571.324089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -571.324089 (E_RNA)
where:
Base-Base interactions energy: -320.147
where: short stacking energy: -181.923
Base-Backbone interact. energy: -0.023
local terms energy: -251.154315
where:
bonds (distance) C4'-P energy: -55.278
bonds (distance) P-C4' energy: -68.299
flat angles C4'-P-C4' energy: -54.999
flat angles P-C4'-P energy: -36.199
tors. eta vs tors. theta energy: -36.379
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: 9
=====================================
Write number: 136
Temperature: 1.200000
Total energy: -326.172776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.172776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.172776 (E_RNA)
where:
Base-Base interactions energy: -105.484
where: short stacking energy: -86.467
Base-Backbone interact. energy: -1.933
local terms energy: -218.755465
where:
bonds (distance) C4'-P energy: -62.993
bonds (distance) P-C4' energy: -56.627
flat angles C4'-P-C4' energy: -59.636
flat angles P-C4'-P energy: -37.243
tors. eta vs tors. theta energy: -2.256
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: 10
=====================================
Write number: 136
Temperature: 1.250000
Total energy: -334.848881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.848881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.848881 (E_RNA)
where:
Base-Base interactions energy: -125.213
where: short stacking energy: -83.674
Base-Backbone interact. energy: -2.626
local terms energy: -207.009205
where:
bonds (distance) C4'-P energy: -67.523
bonds (distance) P-C4' energy: -62.696
flat angles C4'-P-C4' energy: -57.509
flat angles P-C4'-P energy: -24.514
tors. eta vs tors. theta energy: 5.233
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 136
Temperature: 1.300000
Total energy: -283.127010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.127010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.127010 (E_RNA)
where:
Base-Base interactions energy: -100.162
where: short stacking energy: -76.500
Base-Backbone interact. energy: 0.362
local terms energy: -183.326410
where:
bonds (distance) C4'-P energy: -54.863
bonds (distance) P-C4' energy: -59.795
flat angles C4'-P-C4' energy: -54.780
flat angles P-C4'-P energy: -27.710
tors. eta vs tors. theta energy: 13.821
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: 7
=====================================
Write number: 136
Temperature: 1.350000
Total energy: -269.224263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.224263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.224263 (E_RNA)
where:
Base-Base interactions energy: -76.522
where: short stacking energy: -65.742
Base-Backbone interact. energy: -1.586
local terms energy: -191.115854
where:
bonds (distance) C4'-P energy: -65.677
bonds (distance) P-C4' energy: -50.269
flat angles C4'-P-C4' energy: -54.713
flat angles P-C4'-P energy: -26.789
tors. eta vs tors. theta energy: 6.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 137
Temperature: 0.900000
Total energy: -1117.432026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1117.432026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1117.432026 (E_RNA)
where:
Base-Base interactions energy: -730.644
where: short stacking energy: -347.955
Base-Backbone interact. energy: 0.717
local terms energy: -387.505073
where:
bonds (distance) C4'-P energy: -67.266
bonds (distance) P-C4' energy: -70.811
flat angles C4'-P-C4' energy: -82.090
flat angles P-C4'-P energy: -50.513
tors. eta vs tors. theta energy: -116.825
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 137
Temperature: 0.950000
Total energy: -1000.280476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1000.280476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1000.280476 (E_RNA)
where:
Base-Base interactions energy: -659.783
where: short stacking energy: -276.626
Base-Backbone interact. energy: 0.567
local terms energy: -341.064292
where:
bonds (distance) C4'-P energy: -67.671
bonds (distance) P-C4' energy: -62.660
flat angles C4'-P-C4' energy: -77.811
flat angles P-C4'-P energy: -45.518
tors. eta vs tors. theta energy: -87.405
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 137
Temperature: 1.000000
Total energy: -879.567527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -879.567527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -879.567527 (E_RNA)
where:
Base-Base interactions energy: -552.296
where: short stacking energy: -277.849
Base-Backbone interact. energy: -1.996
local terms energy: -325.276305
where:
bonds (distance) C4'-P energy: -69.032
bonds (distance) P-C4' energy: -61.940
flat angles C4'-P-C4' energy: -61.056
flat angles P-C4'-P energy: -45.597
tors. eta vs tors. theta energy: -87.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 137
Temperature: 1.050000
Total energy: -813.413638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -813.413638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -813.413638 (E_RNA)
where:
Base-Base interactions energy: -499.073
where: short stacking energy: -249.034
Base-Backbone interact. energy: -1.790
local terms energy: -312.550662
where:
bonds (distance) C4'-P energy: -57.636
bonds (distance) P-C4' energy: -69.340
flat angles C4'-P-C4' energy: -67.350
flat angles P-C4'-P energy: -50.400
tors. eta vs tors. theta energy: -67.825
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 137
Temperature: 1.100000
Total energy: -602.239035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -602.239035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -602.239035 (E_RNA)
where:
Base-Base interactions energy: -328.229
where: short stacking energy: -182.628
Base-Backbone interact. energy: 0.702
local terms energy: -274.711776
where:
bonds (distance) C4'-P energy: -59.498
bonds (distance) P-C4' energy: -71.650
flat angles C4'-P-C4' energy: -69.424
flat angles P-C4'-P energy: -39.346
tors. eta vs tors. theta energy: -34.793
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 137
Temperature: 1.150000
Total energy: -555.304412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -555.304412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -555.304412 (E_RNA)
where:
Base-Base interactions energy: -307.932
where: short stacking energy: -156.291
Base-Backbone interact. energy: 3.848
local terms energy: -251.220032
where:
bonds (distance) C4'-P energy: -55.537
bonds (distance) P-C4' energy: -65.729
flat angles C4'-P-C4' energy: -60.456
flat angles P-C4'-P energy: -40.608
tors. eta vs tors. theta energy: -28.891
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 137
Temperature: 1.200000
Total energy: -368.995653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.995653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.995653 (E_RNA)
where:
Base-Base interactions energy: -173.949
where: short stacking energy: -106.139
Base-Backbone interact. energy: 0.904
local terms energy: -195.950360
where:
bonds (distance) C4'-P energy: -56.750
bonds (distance) P-C4' energy: -70.432
flat angles C4'-P-C4' energy: -48.204
flat angles P-C4'-P energy: -22.373
tors. eta vs tors. theta energy: 1.809
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 137
Temperature: 1.250000
Total energy: -308.580337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.580337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.580337 (E_RNA)
where:
Base-Base interactions energy: -113.050
where: short stacking energy: -89.097
Base-Backbone interact. energy: 0.140
local terms energy: -195.670338
where:
bonds (distance) C4'-P energy: -51.252
bonds (distance) P-C4' energy: -70.989
flat angles C4'-P-C4' energy: -60.265
flat angles P-C4'-P energy: -31.767
tors. eta vs tors. theta energy: 18.603
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 137
Temperature: 1.300000
Total energy: -312.585486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.585486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.585486 (E_RNA)
where:
Base-Base interactions energy: -107.236
where: short stacking energy: -75.825
Base-Backbone interact. energy: -0.937
local terms energy: -204.412182
where:
bonds (distance) C4'-P energy: -58.816
bonds (distance) P-C4' energy: -58.038
flat angles C4'-P-C4' energy: -66.968
flat angles P-C4'-P energy: -30.157
tors. eta vs tors. theta energy: 9.568
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 137
Temperature: 1.350000
Total energy: -273.227326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.227326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.227326 (E_RNA)
where:
Base-Base interactions energy: -110.648
where: short stacking energy: -82.619
Base-Backbone interact. energy: 0.524
local terms energy: -163.102618
where:
bonds (distance) C4'-P energy: -46.008
bonds (distance) P-C4' energy: -59.130
flat angles C4'-P-C4' energy: -36.882
flat angles P-C4'-P energy: -28.718
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: 1, replica: 4
=====================================
Write number: 138
Temperature: 0.900000
Total energy: -1130.258789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1130.258789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1130.258789 (E_RNA)
where:
Base-Base interactions energy: -739.593
where: short stacking energy: -336.815
Base-Backbone interact. energy: 0.411
local terms energy: -391.076264
where:
bonds (distance) C4'-P energy: -78.415
bonds (distance) P-C4' energy: -67.752
flat angles C4'-P-C4' energy: -80.966
flat angles P-C4'-P energy: -50.238
tors. eta vs tors. theta energy: -113.705
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 138
Temperature: 0.950000
Total energy: -1007.068631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1007.068631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1007.068631 (E_RNA)
where:
Base-Base interactions energy: -682.893
where: short stacking energy: -285.547
Base-Backbone interact. energy: -2.054
local terms energy: -322.121162
where:
bonds (distance) C4'-P energy: -61.233
bonds (distance) P-C4' energy: -67.618
flat angles C4'-P-C4' energy: -70.140
flat angles P-C4'-P energy: -34.292
tors. eta vs tors. theta energy: -88.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 138
Temperature: 1.000000
Total energy: -858.284501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -858.284501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -858.284501 (E_RNA)
where:
Base-Base interactions energy: -528.086
where: short stacking energy: -263.559
Base-Backbone interact. energy: -2.746
local terms energy: -327.451978
where:
bonds (distance) C4'-P energy: -63.192
bonds (distance) P-C4' energy: -73.118
flat angles C4'-P-C4' energy: -66.928
flat angles P-C4'-P energy: -47.729
tors. eta vs tors. theta energy: -76.485
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 138
Temperature: 1.050000
Total energy: -808.988316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -808.988316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -808.988316 (E_RNA)
where:
Base-Base interactions energy: -511.187
where: short stacking energy: -256.351
Base-Backbone interact. energy: 2.784
local terms energy: -300.586031
where:
bonds (distance) C4'-P energy: -50.185
bonds (distance) P-C4' energy: -65.727
flat angles C4'-P-C4' energy: -70.205
flat angles P-C4'-P energy: -37.258
tors. eta vs tors. theta energy: -77.211
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 138
Temperature: 1.100000
Total energy: -629.251872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -629.251872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -629.251872 (E_RNA)
where:
Base-Base interactions energy: -370.186
where: short stacking energy: -195.517
Base-Backbone interact. energy: 2.318
local terms energy: -261.383684
where:
bonds (distance) C4'-P energy: -69.504
bonds (distance) P-C4' energy: -67.122
flat angles C4'-P-C4' energy: -57.724
flat angles P-C4'-P energy: -30.565
tors. eta vs tors. theta energy: -36.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 138
Temperature: 1.150000
Total energy: -589.443715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -589.443715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -589.443715 (E_RNA)
where:
Base-Base interactions energy: -331.150
where: short stacking energy: -169.638
Base-Backbone interact. energy: -1.919
local terms energy: -256.375007
where:
bonds (distance) C4'-P energy: -64.036
bonds (distance) P-C4' energy: -56.731
flat angles C4'-P-C4' energy: -63.416
flat angles P-C4'-P energy: -36.077
tors. eta vs tors. theta energy: -36.115
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: 138
Temperature: 1.200000
Total energy: -367.223988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.223988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.223988 (E_RNA)
where:
Base-Base interactions energy: -151.406
where: short stacking energy: -103.031
Base-Backbone interact. energy: -0.812
local terms energy: -215.006740
where:
bonds (distance) C4'-P energy: -58.804
bonds (distance) P-C4' energy: -67.113
flat angles C4'-P-C4' energy: -59.101
flat angles P-C4'-P energy: -25.825
tors. eta vs tors. theta energy: -4.164
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 138
Temperature: 1.250000
Total energy: -319.263622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.263622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.263622 (E_RNA)
where:
Base-Base interactions energy: -103.671
where: short stacking energy: -82.437
Base-Backbone interact. energy: 4.255
local terms energy: -219.848389
where:
bonds (distance) C4'-P energy: -79.160
bonds (distance) P-C4' energy: -64.326
flat angles C4'-P-C4' energy: -57.423
flat angles P-C4'-P energy: -24.539
tors. eta vs tors. theta energy: 5.599
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: 7
=====================================
Write number: 138
Temperature: 1.300000
Total energy: -325.637104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.637104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.637104 (E_RNA)
where:
Base-Base interactions energy: -118.916
where: short stacking energy: -109.332
Base-Backbone interact. energy: -0.348
local terms energy: -206.373526
where:
bonds (distance) C4'-P energy: -53.808
bonds (distance) P-C4' energy: -61.230
flat angles C4'-P-C4' energy: -44.864
flat angles P-C4'-P energy: -44.730
tors. eta vs tors. theta energy: -1.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 138
Temperature: 1.350000
Total energy: -252.508946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.508946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.508946 (E_RNA)
where:
Base-Base interactions energy: -88.549
where: short stacking energy: -67.879
Base-Backbone interact. energy: -1.781
local terms energy: -162.179109
where:
bonds (distance) C4'-P energy: -52.770
bonds (distance) P-C4' energy: -61.728
flat angles C4'-P-C4' energy: -33.764
flat angles P-C4'-P energy: -39.897
tors. eta vs tors. theta energy: 25.980
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 139
Temperature: 0.900000
Total energy: -1100.964105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1100.964105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1100.964105 (E_RNA)
where:
Base-Base interactions energy: -725.219
where: short stacking energy: -333.645
Base-Backbone interact. energy: -0.496
local terms energy: -375.249383
where:
bonds (distance) C4'-P energy: -71.663
bonds (distance) P-C4' energy: -62.904
flat angles C4'-P-C4' energy: -78.124
flat angles P-C4'-P energy: -51.186
tors. eta vs tors. theta energy: -111.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 139
Temperature: 0.950000
Total energy: -1075.551498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1075.551498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1075.551498 (E_RNA)
where:
Base-Base interactions energy: -734.120
where: short stacking energy: -299.620
Base-Backbone interact. energy: 3.396
local terms energy: -344.827489
where:
bonds (distance) C4'-P energy: -76.318
bonds (distance) P-C4' energy: -59.733
flat angles C4'-P-C4' energy: -73.482
flat angles P-C4'-P energy: -46.357
tors. eta vs tors. theta energy: -88.937
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 139
Temperature: 1.000000
Total energy: -881.267948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -881.267948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -881.267948 (E_RNA)
where:
Base-Base interactions energy: -578.624
where: short stacking energy: -263.646
Base-Backbone interact. energy: -2.847
local terms energy: -299.796191
where:
bonds (distance) C4'-P energy: -62.186
bonds (distance) P-C4' energy: -67.582
flat angles C4'-P-C4' energy: -62.495
flat angles P-C4'-P energy: -32.955
tors. eta vs tors. theta energy: -74.578
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 139
Temperature: 1.050000
Total energy: -787.435605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -787.435605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -787.435605 (E_RNA)
where:
Base-Base interactions energy: -497.899
where: short stacking energy: -244.533
Base-Backbone interact. energy: -0.966
local terms energy: -288.571376
where:
bonds (distance) C4'-P energy: -66.599
bonds (distance) P-C4' energy: -56.045
flat angles C4'-P-C4' energy: -66.639
flat angles P-C4'-P energy: -32.404
tors. eta vs tors. theta energy: -66.884
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: 2
=====================================
Write number: 139
Temperature: 1.100000
Total energy: -630.653631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -630.653631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -630.653631 (E_RNA)
where:
Base-Base interactions energy: -367.564
where: short stacking energy: -193.921
Base-Backbone interact. energy: 2.982
local terms energy: -266.071691
where:
bonds (distance) C4'-P energy: -71.864
bonds (distance) P-C4' energy: -58.039
flat angles C4'-P-C4' energy: -49.044
flat angles P-C4'-P energy: -40.956
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: 6, replica: 6
=====================================
Write number: 139
Temperature: 1.150000
Total energy: -576.198098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -576.198098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -576.198098 (E_RNA)
where:
Base-Base interactions energy: -308.687
where: short stacking energy: -148.877
Base-Backbone interact. energy: -1.098
local terms energy: -266.412917
where:
bonds (distance) C4'-P energy: -61.651
bonds (distance) P-C4' energy: -52.979
flat angles C4'-P-C4' energy: -68.032
flat angles P-C4'-P energy: -41.424
tors. eta vs tors. theta energy: -42.326
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: 9
=====================================
Write number: 139
Temperature: 1.200000
Total energy: -359.399388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.399388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.399388 (E_RNA)
where:
Base-Base interactions energy: -138.140
where: short stacking energy: -97.803
Base-Backbone interact. energy: 0.290
local terms energy: -221.549551
where:
bonds (distance) C4'-P energy: -60.138
bonds (distance) P-C4' energy: -71.184
flat angles C4'-P-C4' energy: -47.988
flat angles P-C4'-P energy: -34.904
tors. eta vs tors. theta energy: -7.335
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 139
Temperature: 1.250000
Total energy: -355.507599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.507599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.507599 (E_RNA)
where:
Base-Base interactions energy: -155.711
where: short stacking energy: -100.613
Base-Backbone interact. energy: -0.762
local terms energy: -199.034249
where:
bonds (distance) C4'-P energy: -60.014
bonds (distance) P-C4' energy: -69.751
flat angles C4'-P-C4' energy: -45.999
flat angles P-C4'-P energy: -30.758
tors. eta vs tors. theta energy: 7.488
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 139
Temperature: 1.300000
Total energy: -290.817098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.817098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.817098 (E_RNA)
where:
Base-Base interactions energy: -99.227
where: short stacking energy: -79.795
Base-Backbone interact. energy: 1.185
local terms energy: -192.775187
where:
bonds (distance) C4'-P energy: -54.063
bonds (distance) P-C4' energy: -77.594
flat angles C4'-P-C4' energy: -48.817
flat angles P-C4'-P energy: -27.294
tors. eta vs tors. theta energy: 14.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 139
Temperature: 1.350000
Total energy: -272.111852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.111852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.111852 (E_RNA)
where:
Base-Base interactions energy: -88.891
where: short stacking energy: -61.635
Base-Backbone interact. energy: 0.145
local terms energy: -183.366406
where:
bonds (distance) C4'-P energy: -58.630
bonds (distance) P-C4' energy: -65.279
flat angles C4'-P-C4' energy: -50.964
flat angles P-C4'-P energy: -19.267
tors. eta vs tors. theta energy: 10.774
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 140
Temperature: 0.900000
Total energy: -1101.524532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1101.524532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1101.524532 (E_RNA)
where:
Base-Base interactions energy: -732.266
where: short stacking energy: -312.005
Base-Backbone interact. energy: -2.032
local terms energy: -367.226300
where:
bonds (distance) C4'-P energy: -69.370
bonds (distance) P-C4' energy: -79.969
flat angles C4'-P-C4' energy: -83.612
flat angles P-C4'-P energy: -50.116
tors. eta vs tors. theta energy: -84.160
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: 4
=====================================
Write number: 140
Temperature: 0.950000
Total energy: -1085.579840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1085.579840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1085.579840 (E_RNA)
where:
Base-Base interactions energy: -709.949
where: short stacking energy: -326.100
Base-Backbone interact. energy: 1.010
local terms energy: -376.641081
where:
bonds (distance) C4'-P energy: -76.229
bonds (distance) P-C4' energy: -71.550
flat angles C4'-P-C4' energy: -66.458
flat angles P-C4'-P energy: -46.560
tors. eta vs tors. theta energy: -115.845
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 140
Temperature: 1.000000
Total energy: -884.536341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -884.536341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -884.536341 (E_RNA)
where:
Base-Base interactions energy: -567.153
where: short stacking energy: -257.848
Base-Backbone interact. energy: -1.771
local terms energy: -315.612283
where:
bonds (distance) C4'-P energy: -60.932
bonds (distance) P-C4' energy: -70.610
flat angles C4'-P-C4' energy: -72.972
flat angles P-C4'-P energy: -40.842
tors. eta vs tors. theta energy: -70.257
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 140
Temperature: 1.050000
Total energy: -827.713192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -827.713192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -827.713192 (E_RNA)
where:
Base-Base interactions energy: -499.696
where: short stacking energy: -249.013
Base-Backbone interact. energy: -0.185
local terms energy: -327.832191
where:
bonds (distance) C4'-P energy: -67.115
bonds (distance) P-C4' energy: -70.261
flat angles C4'-P-C4' energy: -74.493
flat angles P-C4'-P energy: -46.685
tors. eta vs tors. theta energy: -69.278
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: 5, replica: 2
=====================================
Write number: 140
Temperature: 1.100000
Total energy: -622.514059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -622.514059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -622.514059 (E_RNA)
where:
Base-Base interactions energy: -341.972
where: short stacking energy: -196.257
Base-Backbone interact. energy: -1.360
local terms energy: -279.182067
where:
bonds (distance) C4'-P energy: -59.805
bonds (distance) P-C4' energy: -66.459
flat angles C4'-P-C4' energy: -75.303
flat angles P-C4'-P energy: -42.149
tors. eta vs tors. theta energy: -35.467
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: 6
=====================================
Write number: 140
Temperature: 1.150000
Total energy: -563.570583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -563.570583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -563.570583 (E_RNA)
where:
Base-Base interactions energy: -318.327
where: short stacking energy: -139.630
Base-Backbone interact. energy: -2.511
local terms energy: -242.732361
where:
bonds (distance) C4'-P energy: -65.912
bonds (distance) P-C4' energy: -56.613
flat angles C4'-P-C4' energy: -60.162
flat angles P-C4'-P energy: -46.333
tors. eta vs tors. theta energy: -13.713
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 140
Temperature: 1.200000
Total energy: -379.569932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -379.569932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -379.569932 (E_RNA)
where:
Base-Base interactions energy: -150.707
where: short stacking energy: -105.079
Base-Backbone interact. energy: -1.309
local terms energy: -227.553809
where:
bonds (distance) C4'-P energy: -65.558
bonds (distance) P-C4' energy: -54.909
flat angles C4'-P-C4' energy: -50.534
flat angles P-C4'-P energy: -45.067
tors. eta vs tors. theta energy: -11.485
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 140
Temperature: 1.250000
Total energy: -316.990937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.990937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.990937 (E_RNA)
where:
Base-Base interactions energy: -99.472
where: short stacking energy: -89.517
Base-Backbone interact. energy: -0.296
local terms energy: -217.222530
where:
bonds (distance) C4'-P energy: -55.454
bonds (distance) P-C4' energy: -61.162
flat angles C4'-P-C4' energy: -61.693
flat angles P-C4'-P energy: -38.072
tors. eta vs tors. theta energy: -0.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 140
Temperature: 1.300000
Total energy: -295.331536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.331536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.331536 (E_RNA)
where:
Base-Base interactions energy: -85.483
where: short stacking energy: -75.007
Base-Backbone interact. energy: 0.736
local terms energy: -210.584418
where:
bonds (distance) C4'-P energy: -56.206
bonds (distance) P-C4' energy: -59.442
flat angles C4'-P-C4' energy: -54.156
flat angles P-C4'-P energy: -34.382
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: 10, replica: 8
=====================================
Write number: 140
Temperature: 1.350000
Total energy: -283.592315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.592315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.592315 (E_RNA)
where:
Base-Base interactions energy: -95.327
where: short stacking energy: -73.993
Base-Backbone interact. energy: -2.476
local terms energy: -185.790085
where:
bonds (distance) C4'-P energy: -49.425
bonds (distance) P-C4' energy: -62.410
flat angles C4'-P-C4' energy: -61.169
flat angles P-C4'-P energy: -27.848
tors. eta vs tors. theta energy: 15.062
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 141
Temperature: 0.900000
Total energy: -1077.742808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1077.742808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1077.742808 (E_RNA)
where:
Base-Base interactions energy: -728.076
where: short stacking energy: -305.260
Base-Backbone interact. energy: 1.715
local terms energy: -351.382657
where:
bonds (distance) C4'-P energy: -66.190
bonds (distance) P-C4' energy: -72.674
flat angles C4'-P-C4' energy: -74.764
flat angles P-C4'-P energy: -55.993
tors. eta vs tors. theta energy: -81.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 141
Temperature: 0.950000
Total energy: -1072.235824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1072.235824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1072.235824 (E_RNA)
where:
Base-Base interactions energy: -721.822
where: short stacking energy: -326.087
Base-Backbone interact. energy: 0.006
local terms energy: -350.419962
where:
bonds (distance) C4'-P energy: -59.721
bonds (distance) P-C4' energy: -64.471
flat angles C4'-P-C4' energy: -73.381
flat angles P-C4'-P energy: -47.277
tors. eta vs tors. theta energy: -105.570
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: 141
Temperature: 1.000000
Total energy: -923.583486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -923.583486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -923.583486 (E_RNA)
where:
Base-Base interactions energy: -576.828
where: short stacking energy: -278.738
Base-Backbone interact. energy: -0.569
local terms energy: -346.185861
where:
bonds (distance) C4'-P energy: -61.816
bonds (distance) P-C4' energy: -75.601
flat angles C4'-P-C4' energy: -75.231
flat angles P-C4'-P energy: -44.870
tors. eta vs tors. theta energy: -88.668
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 141
Temperature: 1.050000
Total energy: -844.739307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -844.739307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -844.739307 (E_RNA)
where:
Base-Base interactions energy: -513.437
where: short stacking energy: -250.344
Base-Backbone interact. energy: -0.984
local terms energy: -330.317774
where:
bonds (distance) C4'-P energy: -66.958
bonds (distance) P-C4' energy: -64.392
flat angles C4'-P-C4' energy: -79.751
flat angles P-C4'-P energy: -45.682
tors. eta vs tors. theta energy: -73.535
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 141
Temperature: 1.100000
Total energy: -604.946094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -604.946094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -604.946094 (E_RNA)
where:
Base-Base interactions energy: -332.087
where: short stacking energy: -158.532
Base-Backbone interact. energy: -1.575
local terms energy: -271.284774
where:
bonds (distance) C4'-P energy: -63.614
bonds (distance) P-C4' energy: -68.843
flat angles C4'-P-C4' energy: -62.297
flat angles P-C4'-P energy: -43.945
tors. eta vs tors. theta energy: -32.585
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 141
Temperature: 1.150000
Total energy: -581.884738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -581.884738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -581.884738 (E_RNA)
where:
Base-Base interactions energy: -327.090
where: short stacking energy: -152.197
Base-Backbone interact. energy: 3.143
local terms energy: -257.937738
where:
bonds (distance) C4'-P energy: -49.356
bonds (distance) P-C4' energy: -64.357
flat angles C4'-P-C4' energy: -68.578
flat angles P-C4'-P energy: -44.214
tors. eta vs tors. theta energy: -31.433
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: 9
=====================================
Write number: 141
Temperature: 1.200000
Total energy: -340.876388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.876388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.876388 (E_RNA)
where:
Base-Base interactions energy: -112.011
where: short stacking energy: -102.191
Base-Backbone interact. energy: 2.074
local terms energy: -230.939778
where:
bonds (distance) C4'-P energy: -60.431
bonds (distance) P-C4' energy: -59.818
flat angles C4'-P-C4' energy: -59.596
flat angles P-C4'-P energy: -38.720
tors. eta vs tors. theta energy: -12.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 141
Temperature: 1.250000
Total energy: -301.520616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.520616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.520616 (E_RNA)
where:
Base-Base interactions energy: -102.232
where: short stacking energy: -84.683
Base-Backbone interact. energy: -0.663
local terms energy: -198.626034
where:
bonds (distance) C4'-P energy: -67.345
bonds (distance) P-C4' energy: -68.484
flat angles C4'-P-C4' energy: -52.597
flat angles P-C4'-P energy: -14.301
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: 9, replica: 7
=====================================
Write number: 141
Temperature: 1.300000
Total energy: -296.227632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.227632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.227632 (E_RNA)
where:
Base-Base interactions energy: -103.088
where: short stacking energy: -86.321
Base-Backbone interact. energy: 1.616
local terms energy: -194.755625
where:
bonds (distance) C4'-P energy: -55.248
bonds (distance) P-C4' energy: -70.877
flat angles C4'-P-C4' energy: -43.652
flat angles P-C4'-P energy: -35.864
tors. eta vs tors. theta energy: 10.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 141
Temperature: 1.350000
Total energy: -272.747511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.747511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.747511 (E_RNA)
where:
Base-Base interactions energy: -103.188
where: short stacking energy: -66.383
Base-Backbone interact. energy: -0.466
local terms energy: -169.093823
where:
bonds (distance) C4'-P energy: -55.206
bonds (distance) P-C4' energy: -62.938
flat angles C4'-P-C4' energy: -38.228
flat angles P-C4'-P energy: -29.228
tors. eta vs tors. theta energy: 16.506
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 142
Temperature: 0.900000
Total energy: -1089.941595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1089.941595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1089.941595 (E_RNA)
where:
Base-Base interactions energy: -709.774
where: short stacking energy: -317.602
Base-Backbone interact. energy: -1.850
local terms energy: -378.318173
where:
bonds (distance) C4'-P energy: -71.956
bonds (distance) P-C4' energy: -75.318
flat angles C4'-P-C4' energy: -71.953
flat angles P-C4'-P energy: -49.692
tors. eta vs tors. theta energy: -109.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 142
Temperature: 0.950000
Total energy: -1051.922361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1051.922361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1051.922361 (E_RNA)
where:
Base-Base interactions energy: -709.103
where: short stacking energy: -292.293
Base-Backbone interact. energy: -0.880
local terms energy: -341.939780
where:
bonds (distance) C4'-P energy: -63.642
bonds (distance) P-C4' energy: -62.884
flat angles C4'-P-C4' energy: -78.274
flat angles P-C4'-P energy: -50.395
tors. eta vs tors. theta energy: -86.745
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: 3
=====================================
Write number: 142
Temperature: 1.000000
Total energy: -914.599554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -914.599554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -914.599554 (E_RNA)
where:
Base-Base interactions energy: -585.661
where: short stacking energy: -271.830
Base-Backbone interact. energy: -4.381
local terms energy: -324.557170
where:
bonds (distance) C4'-P energy: -57.514
bonds (distance) P-C4' energy: -69.447
flat angles C4'-P-C4' energy: -71.018
flat angles P-C4'-P energy: -43.550
tors. eta vs tors. theta energy: -83.028
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 142
Temperature: 1.050000
Total energy: -810.985054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -810.985054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -810.985054 (E_RNA)
where:
Base-Base interactions energy: -489.710
where: short stacking energy: -241.049
Base-Backbone interact. energy: -2.207
local terms energy: -319.067905
where:
bonds (distance) C4'-P energy: -61.842
bonds (distance) P-C4' energy: -70.022
flat angles C4'-P-C4' energy: -69.587
flat angles P-C4'-P energy: -38.200
tors. eta vs tors. theta energy: -79.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 142
Temperature: 1.100000
Total energy: -625.919604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -625.919604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -625.919604 (E_RNA)
where:
Base-Base interactions energy: -359.787
where: short stacking energy: -158.650
Base-Backbone interact. energy: 1.172
local terms energy: -267.304947
where:
bonds (distance) C4'-P energy: -61.195
bonds (distance) P-C4' energy: -60.187
flat angles C4'-P-C4' energy: -65.110
flat angles P-C4'-P energy: -46.288
tors. eta vs tors. theta energy: -34.524
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 142
Temperature: 1.150000
Total energy: -575.372767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -575.372767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -575.372767 (E_RNA)
where:
Base-Base interactions energy: -309.228
where: short stacking energy: -190.981
Base-Backbone interact. energy: 0.278
local terms energy: -266.422453
where:
bonds (distance) C4'-P energy: -59.458
bonds (distance) P-C4' energy: -68.431
flat angles C4'-P-C4' energy: -67.161
flat angles P-C4'-P energy: -22.088
tors. eta vs tors. theta energy: -49.284
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: 9
=====================================
Write number: 142
Temperature: 1.200000
Total energy: -364.068544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.068544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.068544 (E_RNA)
where:
Base-Base interactions energy: -150.027
where: short stacking energy: -119.582
Base-Backbone interact. energy: -0.381
local terms energy: -213.661088
where:
bonds (distance) C4'-P energy: -47.222
bonds (distance) P-C4' energy: -68.678
flat angles C4'-P-C4' energy: -61.568
flat angles P-C4'-P energy: -26.965
tors. eta vs tors. theta energy: -9.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 142
Temperature: 1.250000
Total energy: -341.944161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.944161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.944161 (E_RNA)
where:
Base-Base interactions energy: -145.585
where: short stacking energy: -77.343
Base-Backbone interact. energy: -0.774
local terms energy: -195.585185
where:
bonds (distance) C4'-P energy: -62.117
bonds (distance) P-C4' energy: -65.553
flat angles C4'-P-C4' energy: -43.981
flat angles P-C4'-P energy: -27.608
tors. eta vs tors. theta energy: 3.673
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: 8
=====================================
Write number: 142
Temperature: 1.300000
Total energy: -305.185263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.185263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.185263 (E_RNA)
where:
Base-Base interactions energy: -101.768
where: short stacking energy: -86.529
Base-Backbone interact. energy: -0.844
local terms energy: -202.573857
where:
bonds (distance) C4'-P energy: -54.314
bonds (distance) P-C4' energy: -61.637
flat angles C4'-P-C4' energy: -44.831
flat angles P-C4'-P energy: -47.220
tors. eta vs tors. theta energy: 5.428
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 142
Temperature: 1.350000
Total energy: -268.614331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.614331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.614331 (E_RNA)
where:
Base-Base interactions energy: -65.740
where: short stacking energy: -62.968
Base-Backbone interact. energy: -0.590
local terms energy: -202.283920
where:
bonds (distance) C4'-P energy: -47.111
bonds (distance) P-C4' energy: -64.486
flat angles C4'-P-C4' energy: -65.648
flat angles P-C4'-P energy: -28.359
tors. eta vs tors. theta energy: 3.319
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 143
Temperature: 0.900000
Total energy: -1093.204151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1093.204151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1093.204151 (E_RNA)
where:
Base-Base interactions energy: -720.924
where: short stacking energy: -331.327
Base-Backbone interact. energy: -2.052
local terms energy: -370.227647
where:
bonds (distance) C4'-P energy: -75.530
bonds (distance) P-C4' energy: -66.449
flat angles C4'-P-C4' energy: -77.866
flat angles P-C4'-P energy: -44.053
tors. eta vs tors. theta energy: -106.329
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: 1
=====================================
Write number: 143
Temperature: 0.950000
Total energy: -1053.956376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1053.956376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1053.956376 (E_RNA)
where:
Base-Base interactions energy: -711.296
where: short stacking energy: -304.110
Base-Backbone interact. energy: -1.008
local terms energy: -341.652837
where:
bonds (distance) C4'-P energy: -72.849
bonds (distance) P-C4' energy: -63.891
flat angles C4'-P-C4' energy: -74.407
flat angles P-C4'-P energy: -45.814
tors. eta vs tors. theta energy: -84.692
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: 3, replica: 3
=====================================
Write number: 143
Temperature: 1.000000
Total energy: -923.323646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -923.323646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -923.323646 (E_RNA)
where:
Base-Base interactions energy: -595.811
where: short stacking energy: -278.783
Base-Backbone interact. energy: -1.769
local terms energy: -325.743595
where:
bonds (distance) C4'-P energy: -65.050
bonds (distance) P-C4' energy: -53.789
flat angles C4'-P-C4' energy: -66.751
flat angles P-C4'-P energy: -55.673
tors. eta vs tors. theta energy: -84.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 143
Temperature: 1.050000
Total energy: -767.175158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -767.175158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -767.175158 (E_RNA)
where:
Base-Base interactions energy: -489.377
where: short stacking energy: -218.048
Base-Backbone interact. energy: -1.253
local terms energy: -276.545553
where:
bonds (distance) C4'-P energy: -66.711
bonds (distance) P-C4' energy: -51.336
flat angles C4'-P-C4' energy: -66.098
flat angles P-C4'-P energy: -35.525
tors. eta vs tors. theta energy: -56.875
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 143
Temperature: 1.100000
Total energy: -657.813278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -657.813278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -657.813278 (E_RNA)
where:
Base-Base interactions energy: -367.472
where: short stacking energy: -184.429
Base-Backbone interact. energy: -1.542
local terms energy: -288.799053
where:
bonds (distance) C4'-P energy: -66.413
bonds (distance) P-C4' energy: -70.280
flat angles C4'-P-C4' energy: -57.926
flat angles P-C4'-P energy: -42.669
tors. eta vs tors. theta energy: -51.510
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: 2
=====================================
Write number: 143
Temperature: 1.150000
Total energy: -591.219112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -591.219112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -591.219112 (E_RNA)
where:
Base-Base interactions energy: -354.965
where: short stacking energy: -172.757
Base-Backbone interact. energy: -1.664
local terms energy: -234.590780
where:
bonds (distance) C4'-P energy: -57.283
bonds (distance) P-C4' energy: -44.853
flat angles C4'-P-C4' energy: -60.982
flat angles P-C4'-P energy: -34.897
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: 7, replica: 9
=====================================
Write number: 143
Temperature: 1.200000
Total energy: -330.140014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.140014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.140014 (E_RNA)
where:
Base-Base interactions energy: -112.140
where: short stacking energy: -95.868
Base-Backbone interact. energy: -0.566
local terms energy: -217.434212
where:
bonds (distance) C4'-P energy: -56.646
bonds (distance) P-C4' energy: -72.168
flat angles C4'-P-C4' energy: -58.492
flat angles P-C4'-P energy: -34.498
tors. eta vs tors. theta energy: 4.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 143
Temperature: 1.250000
Total energy: -348.385100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.385100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.385100 (E_RNA)
where:
Base-Base interactions energy: -139.008
where: short stacking energy: -86.781
Base-Backbone interact. energy: -0.310
local terms energy: -209.067023
where:
bonds (distance) C4'-P energy: -47.738
bonds (distance) P-C4' energy: -69.602
flat angles C4'-P-C4' energy: -57.244
flat angles P-C4'-P energy: -34.486
tors. eta vs tors. theta energy: 0.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 143
Temperature: 1.300000
Total energy: -285.835286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.835286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.835286 (E_RNA)
where:
Base-Base interactions energy: -102.382
where: short stacking energy: -76.031
Base-Backbone interact. energy: -1.893
local terms energy: -181.560529
where:
bonds (distance) C4'-P energy: -60.610
bonds (distance) P-C4' energy: -58.881
flat angles C4'-P-C4' energy: -55.397
flat angles P-C4'-P energy: -14.460
tors. eta vs tors. theta energy: 7.788
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: 7
=====================================
Write number: 143
Temperature: 1.350000
Total energy: -275.858919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.858919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.858919 (E_RNA)
where:
Base-Base interactions energy: -105.648
where: short stacking energy: -79.405
Base-Backbone interact. energy: 2.278
local terms energy: -172.489768
where:
bonds (distance) C4'-P energy: -57.971
bonds (distance) P-C4' energy: -68.921
flat angles C4'-P-C4' energy: -42.196
flat angles P-C4'-P energy: -18.977
tors. eta vs tors. theta energy: 15.574
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 144
Temperature: 0.900000
Total energy: -1107.446478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1107.446478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1107.446478 (E_RNA)
where:
Base-Base interactions energy: -736.957
where: short stacking energy: -343.716
Base-Backbone interact. energy: 1.249
local terms energy: -371.738740
where:
bonds (distance) C4'-P energy: -69.512
bonds (distance) P-C4' energy: -67.596
flat angles C4'-P-C4' energy: -77.677
flat angles P-C4'-P energy: -46.807
tors. eta vs tors. theta energy: -110.145
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 144
Temperature: 0.950000
Total energy: -1013.443661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1013.443661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1013.443661 (E_RNA)
where:
Base-Base interactions energy: -655.734
where: short stacking energy: -305.780
Base-Backbone interact. energy: -1.087
local terms energy: -356.622172
where:
bonds (distance) C4'-P energy: -69.423
bonds (distance) P-C4' energy: -70.848
flat angles C4'-P-C4' energy: -78.268
flat angles P-C4'-P energy: -44.240
tors. eta vs tors. theta energy: -93.844
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: 3, replica: 3
=====================================
Write number: 144
Temperature: 1.000000
Total energy: -938.640331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -938.640331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -938.640331 (E_RNA)
where:
Base-Base interactions energy: -603.156
where: short stacking energy: -249.609
Base-Backbone interact. energy: -2.596
local terms energy: -332.887865
where:
bonds (distance) C4'-P energy: -67.139
bonds (distance) P-C4' energy: -59.802
flat angles C4'-P-C4' energy: -80.226
flat angles P-C4'-P energy: -42.513
tors. eta vs tors. theta energy: -83.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 144
Temperature: 1.050000
Total energy: -783.144001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -783.144001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -783.144001 (E_RNA)
where:
Base-Base interactions energy: -473.767
where: short stacking energy: -234.569
Base-Backbone interact. energy: -1.992
local terms energy: -307.384758
where:
bonds (distance) C4'-P energy: -66.715
bonds (distance) P-C4' energy: -66.524
flat angles C4'-P-C4' energy: -62.259
flat angles P-C4'-P energy: -37.599
tors. eta vs tors. theta energy: -74.288
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: 5, replica: 6
=====================================
Write number: 144
Temperature: 1.100000
Total energy: -636.762538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -636.762538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -636.762538 (E_RNA)
where:
Base-Base interactions energy: -360.256
where: short stacking energy: -164.222
Base-Backbone interact. energy: -0.020
local terms energy: -276.487421
where:
bonds (distance) C4'-P energy: -56.649
bonds (distance) P-C4' energy: -72.905
flat angles C4'-P-C4' energy: -66.482
flat angles P-C4'-P energy: -49.990
tors. eta vs tors. theta energy: -30.462
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: 2
=====================================
Write number: 144
Temperature: 1.150000
Total energy: -567.416084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -567.416084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -567.416084 (E_RNA)
where:
Base-Base interactions energy: -313.676
where: short stacking energy: -170.627
Base-Backbone interact. energy: 4.055
local terms energy: -257.795466
where:
bonds (distance) C4'-P energy: -58.763
bonds (distance) P-C4' energy: -68.450
flat angles C4'-P-C4' energy: -66.123
flat angles P-C4'-P energy: -36.008
tors. eta vs tors. theta energy: -28.451
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 144
Temperature: 1.200000
Total energy: -326.001576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.001576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.001576 (E_RNA)
where:
Base-Base interactions energy: -115.128
where: short stacking energy: -89.555
Base-Backbone interact. energy: -1.622
local terms energy: -209.251421
where:
bonds (distance) C4'-P energy: -61.194
bonds (distance) P-C4' energy: -58.035
flat angles C4'-P-C4' energy: -56.721
flat angles P-C4'-P energy: -38.443
tors. eta vs tors. theta energy: 5.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 144
Temperature: 1.250000
Total energy: -331.545707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.545707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.545707 (E_RNA)
where:
Base-Base interactions energy: -120.732
where: short stacking energy: -81.042
Base-Backbone interact. energy: -0.097
local terms energy: -210.716679
where:
bonds (distance) C4'-P energy: -61.150
bonds (distance) P-C4' energy: -66.513
flat angles C4'-P-C4' energy: -44.815
flat angles P-C4'-P energy: -37.724
tors. eta vs tors. theta energy: -0.515
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: 9, replica: 7
=====================================
Write number: 144
Temperature: 1.300000
Total energy: -285.146294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.146294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.146294 (E_RNA)
where:
Base-Base interactions energy: -91.090
where: short stacking energy: -82.984
Base-Backbone interact. energy: -0.075
local terms energy: -193.981648
where:
bonds (distance) C4'-P energy: -52.551
bonds (distance) P-C4' energy: -61.353
flat angles C4'-P-C4' energy: -57.654
flat angles P-C4'-P energy: -29.471
tors. eta vs tors. theta energy: 7.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 144
Temperature: 1.350000
Total energy: -261.199582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.199582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.199582 (E_RNA)
where:
Base-Base interactions energy: -83.302
where: short stacking energy: -78.243
Base-Backbone interact. energy: 6.778
local terms energy: -184.675676
where:
bonds (distance) C4'-P energy: -51.776
bonds (distance) P-C4' energy: -61.764
flat angles C4'-P-C4' energy: -45.754
flat angles P-C4'-P energy: -34.272
tors. eta vs tors. theta energy: 8.890
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: 1, replica: 4
=====================================
Write number: 145
Temperature: 0.900000
Total energy: -1080.146470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1080.146470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1080.146470 (E_RNA)
where:
Base-Base interactions energy: -721.690
where: short stacking energy: -318.333
Base-Backbone interact. energy: -0.546
local terms energy: -357.910493
where:
bonds (distance) C4'-P energy: -62.984
bonds (distance) P-C4' energy: -62.835
flat angles C4'-P-C4' energy: -73.387
flat angles P-C4'-P energy: -49.138
tors. eta vs tors. theta energy: -109.567
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 145
Temperature: 0.950000
Total energy: -1019.880708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1019.880708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1019.880708 (E_RNA)
where:
Base-Base interactions energy: -662.811
where: short stacking energy: -298.268
Base-Backbone interact. energy: 1.920
local terms energy: -358.989153
where:
bonds (distance) C4'-P energy: -70.245
bonds (distance) P-C4' energy: -79.118
flat angles C4'-P-C4' energy: -79.403
flat angles P-C4'-P energy: -48.575
tors. eta vs tors. theta energy: -81.648
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: 3
=====================================
Write number: 145
Temperature: 1.000000
Total energy: -888.693061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -888.693061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -888.693061 (E_RNA)
where:
Base-Base interactions energy: -576.285
where: short stacking energy: -265.564
Base-Backbone interact. energy: -2.553
local terms energy: -309.855185
where:
bonds (distance) C4'-P energy: -76.479
bonds (distance) P-C4' energy: -63.215
flat angles C4'-P-C4' energy: -67.631
flat angles P-C4'-P energy: -37.776
tors. eta vs tors. theta energy: -64.754
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: 5
=====================================
Write number: 145
Temperature: 1.050000
Total energy: -797.604718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -797.604718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -797.604718 (E_RNA)
where:
Base-Base interactions energy: -507.542
where: short stacking energy: -243.440
Base-Backbone interact. energy: 1.433
local terms energy: -291.495391
where:
bonds (distance) C4'-P energy: -67.955
bonds (distance) P-C4' energy: -58.295
flat angles C4'-P-C4' energy: -62.795
flat angles P-C4'-P energy: -39.915
tors. eta vs tors. theta energy: -62.536
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: 6
=====================================
Write number: 145
Temperature: 1.100000
Total energy: -650.012317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -650.012317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -650.012317 (E_RNA)
where:
Base-Base interactions energy: -387.416
where: short stacking energy: -179.390
Base-Backbone interact. energy: 3.708
local terms energy: -266.303719
where:
bonds (distance) C4'-P energy: -55.892
bonds (distance) P-C4' energy: -62.592
flat angles C4'-P-C4' energy: -72.211
flat angles P-C4'-P energy: -41.701
tors. eta vs tors. theta energy: -33.909
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 145
Temperature: 1.150000
Total energy: -537.928323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.928323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.928323 (E_RNA)
where:
Base-Base interactions energy: -290.819
where: short stacking energy: -173.023
Base-Backbone interact. energy: -0.435
local terms energy: -246.674577
where:
bonds (distance) C4'-P energy: -64.797
bonds (distance) P-C4' energy: -55.456
flat angles C4'-P-C4' energy: -57.661
flat angles P-C4'-P energy: -32.119
tors. eta vs tors. theta energy: -36.641
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 145
Temperature: 1.200000
Total energy: -341.608388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.608388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.608388 (E_RNA)
where:
Base-Base interactions energy: -123.653
where: short stacking energy: -102.104
Base-Backbone interact. energy: -0.182
local terms energy: -217.773736
where:
bonds (distance) C4'-P energy: -64.669
bonds (distance) P-C4' energy: -62.247
flat angles C4'-P-C4' energy: -52.860
flat angles P-C4'-P energy: -36.438
tors. eta vs tors. theta energy: -1.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 145
Temperature: 1.250000
Total energy: -305.291023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.291023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.291023 (E_RNA)
where:
Base-Base interactions energy: -102.792
where: short stacking energy: -85.801
Base-Backbone interact. energy: 0.329
local terms energy: -202.827411
where:
bonds (distance) C4'-P energy: -74.833
bonds (distance) P-C4' energy: -57.461
flat angles C4'-P-C4' energy: -59.422
flat angles P-C4'-P energy: -19.802
tors. eta vs tors. theta energy: 8.690
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 145
Temperature: 1.300000
Total energy: -298.196198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.196198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.196198 (E_RNA)
where:
Base-Base interactions energy: -122.333
where: short stacking energy: -68.866
Base-Backbone interact. energy: 1.345
local terms energy: -177.208333
where:
bonds (distance) C4'-P energy: -52.961
bonds (distance) P-C4' energy: -66.392
flat angles C4'-P-C4' energy: -38.744
flat angles P-C4'-P energy: -21.673
tors. eta vs tors. theta energy: 2.561
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 145
Temperature: 1.350000
Total energy: -260.932025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.932025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.932025 (E_RNA)
where:
Base-Base interactions energy: -72.641
where: short stacking energy: -57.258
Base-Backbone interact. energy: -0.596
local terms energy: -187.694896
where:
bonds (distance) C4'-P energy: -57.590
bonds (distance) P-C4' energy: -64.435
flat angles C4'-P-C4' energy: -53.408
flat angles P-C4'-P energy: -34.782
tors. eta vs tors. theta energy: 22.519
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: 4
=====================================
Write number: 146
Temperature: 0.900000
Total energy: -1089.033575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1089.033575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1089.033575 (E_RNA)
where:
Base-Base interactions energy: -709.874
where: short stacking energy: -331.342
Base-Backbone interact. energy: -0.336
local terms energy: -378.823530
where:
bonds (distance) C4'-P energy: -58.521
bonds (distance) P-C4' energy: -82.703
flat angles C4'-P-C4' energy: -78.990
flat angles P-C4'-P energy: -50.437
tors. eta vs tors. theta energy: -108.173
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: 146
Temperature: 0.950000
Total energy: -1027.160696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1027.160696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1027.160696 (E_RNA)
where:
Base-Base interactions energy: -676.712
where: short stacking energy: -300.057
Base-Backbone interact. energy: -1.986
local terms energy: -348.462922
where:
bonds (distance) C4'-P energy: -70.523
bonds (distance) P-C4' energy: -67.797
flat angles C4'-P-C4' energy: -81.410
flat angles P-C4'-P energy: -42.000
tors. eta vs tors. theta energy: -86.733
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: 3, replica: 3
=====================================
Write number: 146
Temperature: 1.000000
Total energy: -898.292753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -898.292753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -898.292753 (E_RNA)
where:
Base-Base interactions energy: -569.265
where: short stacking energy: -267.562
Base-Backbone interact. energy: -1.443
local terms energy: -327.585398
where:
bonds (distance) C4'-P energy: -73.833
bonds (distance) P-C4' energy: -60.128
flat angles C4'-P-C4' energy: -69.453
flat angles P-C4'-P energy: -43.823
tors. eta vs tors. theta energy: -80.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 146
Temperature: 1.050000
Total energy: -824.215400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -824.215400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -824.215400 (E_RNA)
where:
Base-Base interactions energy: -518.568
where: short stacking energy: -239.135
Base-Backbone interact. energy: -2.041
local terms energy: -303.606677
where:
bonds (distance) C4'-P energy: -58.917
bonds (distance) P-C4' energy: -65.705
flat angles C4'-P-C4' energy: -77.287
flat angles P-C4'-P energy: -38.174
tors. eta vs tors. theta energy: -63.524
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 146
Temperature: 1.100000
Total energy: -649.288117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -649.288117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -649.288117 (E_RNA)
where:
Base-Base interactions energy: -409.641
where: short stacking energy: -179.094
Base-Backbone interact. energy: -2.014
local terms energy: -237.632614
where:
bonds (distance) C4'-P energy: -61.602
bonds (distance) P-C4' energy: -63.814
flat angles C4'-P-C4' energy: -58.507
flat angles P-C4'-P energy: -14.202
tors. eta vs tors. theta energy: -39.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 146
Temperature: 1.150000
Total energy: -539.156223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.156223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.156223 (E_RNA)
where:
Base-Base interactions energy: -290.085
where: short stacking energy: -150.093
Base-Backbone interact. energy: 0.466
local terms energy: -249.537252
where:
bonds (distance) C4'-P energy: -60.237
bonds (distance) P-C4' energy: -62.916
flat angles C4'-P-C4' energy: -70.216
flat angles P-C4'-P energy: -35.438
tors. eta vs tors. theta energy: -20.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 146
Temperature: 1.200000
Total energy: -367.174754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.174754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.174754 (E_RNA)
where:
Base-Base interactions energy: -147.937
where: short stacking energy: -119.666
Base-Backbone interact. energy: -2.061
local terms energy: -217.176834
where:
bonds (distance) C4'-P energy: -64.221
bonds (distance) P-C4' energy: -60.772
flat angles C4'-P-C4' energy: -44.089
flat angles P-C4'-P energy: -38.766
tors. eta vs tors. theta energy: -9.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 146
Temperature: 1.250000
Total energy: -306.325113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.325113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.325113 (E_RNA)
where:
Base-Base interactions energy: -109.925
where: short stacking energy: -85.718
Base-Backbone interact. energy: -2.364
local terms energy: -194.036269
where:
bonds (distance) C4'-P energy: -58.933
bonds (distance) P-C4' energy: -62.369
flat angles C4'-P-C4' energy: -41.558
flat angles P-C4'-P energy: -33.787
tors. eta vs tors. theta energy: 2.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 146
Temperature: 1.300000
Total energy: -290.807392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.807392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.807392 (E_RNA)
where:
Base-Base interactions energy: -91.381
where: short stacking energy: -80.888
Base-Backbone interact. energy: -1.195
local terms energy: -198.231598
where:
bonds (distance) C4'-P energy: -52.023
bonds (distance) P-C4' energy: -68.652
flat angles C4'-P-C4' energy: -45.006
flat angles P-C4'-P energy: -32.536
tors. eta vs tors. theta energy: -0.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 146
Temperature: 1.350000
Total energy: -262.313679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.313679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.313679 (E_RNA)
where:
Base-Base interactions energy: -83.874
where: short stacking energy: -68.674
Base-Backbone interact. energy: -0.888
local terms energy: -177.552304
where:
bonds (distance) C4'-P energy: -54.026
bonds (distance) P-C4' energy: -68.779
flat angles C4'-P-C4' energy: -44.826
flat angles P-C4'-P energy: -24.897
tors. eta vs tors. theta energy: 14.976
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 147
Temperature: 0.900000
Total energy: -1081.581972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1081.581972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1081.581972 (E_RNA)
where:
Base-Base interactions energy: -709.394
where: short stacking energy: -332.388
Base-Backbone interact. energy: 0.921
local terms energy: -373.108517
where:
bonds (distance) C4'-P energy: -63.862
bonds (distance) P-C4' energy: -73.523
flat angles C4'-P-C4' energy: -72.119
flat angles P-C4'-P energy: -56.363
tors. eta vs tors. theta energy: -107.242
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: 1
=====================================
Write number: 147
Temperature: 0.950000
Total energy: -1018.161755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1018.161755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1018.161755 (E_RNA)
where:
Base-Base interactions energy: -664.590
where: short stacking energy: -279.733
Base-Backbone interact. energy: -0.195
local terms energy: -353.376659
where:
bonds (distance) C4'-P energy: -65.749
bonds (distance) P-C4' energy: -74.586
flat angles C4'-P-C4' energy: -74.697
flat angles P-C4'-P energy: -47.475
tors. eta vs tors. theta energy: -90.871
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 147
Temperature: 1.000000
Total energy: -876.078892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -876.078892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -876.078892 (E_RNA)
where:
Base-Base interactions energy: -557.468
where: short stacking energy: -251.505
Base-Backbone interact. energy: -1.307
local terms energy: -317.303867
where:
bonds (distance) C4'-P energy: -64.252
bonds (distance) P-C4' energy: -52.660
flat angles C4'-P-C4' energy: -74.407
flat angles P-C4'-P energy: -48.104
tors. eta vs tors. theta energy: -77.881
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: 4, replica: 5
=====================================
Write number: 147
Temperature: 1.050000
Total energy: -812.758659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -812.758659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -812.758659 (E_RNA)
where:
Base-Base interactions energy: -520.817
where: short stacking energy: -252.452
Base-Backbone interact. energy: 3.483
local terms energy: -295.424774
where:
bonds (distance) C4'-P energy: -61.728
bonds (distance) P-C4' energy: -63.857
flat angles C4'-P-C4' energy: -74.446
flat angles P-C4'-P energy: -27.321
tors. eta vs tors. theta energy: -68.074
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: 6
=====================================
Write number: 147
Temperature: 1.100000
Total energy: -711.794660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -711.794660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -711.794660 (E_RNA)
where:
Base-Base interactions energy: -465.682
where: short stacking energy: -202.656
Base-Backbone interact. energy: -0.891
local terms energy: -245.221558
where:
bonds (distance) C4'-P energy: -48.936
bonds (distance) P-C4' energy: -54.416
flat angles C4'-P-C4' energy: -58.928
flat angles P-C4'-P energy: -37.299
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: 2
=====================================
Write number: 147
Temperature: 1.150000
Total energy: -556.768546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.768546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -556.768546 (E_RNA)
where:
Base-Base interactions energy: -292.268
where: short stacking energy: -153.414
Base-Backbone interact. energy: -1.220
local terms energy: -263.280874
where:
bonds (distance) C4'-P energy: -69.808
bonds (distance) P-C4' energy: -60.893
flat angles C4'-P-C4' energy: -69.351
flat angles P-C4'-P energy: -43.268
tors. eta vs tors. theta energy: -19.961
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: 9
=====================================
Write number: 147
Temperature: 1.200000
Total energy: -361.176424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.176424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.176424 (E_RNA)
where:
Base-Base interactions energy: -173.821
where: short stacking energy: -99.136
Base-Backbone interact. energy: -0.860
local terms energy: -186.495290
where:
bonds (distance) C4'-P energy: -55.488
bonds (distance) P-C4' energy: -50.489
flat angles C4'-P-C4' energy: -51.622
flat angles P-C4'-P energy: -20.265
tors. eta vs tors. theta energy: -8.632
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 147
Temperature: 1.250000
Total energy: -308.491715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.491715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.491715 (E_RNA)
where:
Base-Base interactions energy: -82.999
where: short stacking energy: -78.681
Base-Backbone interact. energy: -0.095
local terms energy: -225.397318
where:
bonds (distance) C4'-P energy: -59.340
bonds (distance) P-C4' energy: -67.419
flat angles C4'-P-C4' energy: -67.315
flat angles P-C4'-P energy: -36.786
tors. eta vs tors. theta energy: 5.463
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: 9, replica: 8
=====================================
Write number: 147
Temperature: 1.300000
Total energy: -319.352343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.352343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.352343 (E_RNA)
where:
Base-Base interactions energy: -109.121
where: short stacking energy: -83.894
Base-Backbone interact. energy: 1.726
local terms energy: -211.957505
where:
bonds (distance) C4'-P energy: -56.649
bonds (distance) P-C4' energy: -58.971
flat angles C4'-P-C4' energy: -72.690
flat angles P-C4'-P energy: -32.654
tors. eta vs tors. theta energy: 9.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 147
Temperature: 1.350000
Total energy: -275.427922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.427922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.427922 (E_RNA)
where:
Base-Base interactions energy: -81.279
where: short stacking energy: -74.405
Base-Backbone interact. energy: -1.936
local terms energy: -192.212705
where:
bonds (distance) C4'-P energy: -55.468
bonds (distance) P-C4' energy: -69.999
flat angles C4'-P-C4' energy: -47.420
flat angles P-C4'-P energy: -20.713
tors. eta vs tors. theta energy: 1.388
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: 1, replica: 4
=====================================
Write number: 148
Temperature: 0.900000
Total energy: -1075.960252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1075.960252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1075.960252 (E_RNA)
where:
Base-Base interactions energy: -706.430
where: short stacking energy: -310.298
Base-Backbone interact. energy: 0.743
local terms energy: -370.273639
where:
bonds (distance) C4'-P energy: -66.166
bonds (distance) P-C4' energy: -64.107
flat angles C4'-P-C4' energy: -69.208
flat angles P-C4'-P energy: -62.178
tors. eta vs tors. theta energy: -108.615
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: 2, replica: 1
=====================================
Write number: 148
Temperature: 0.950000
Total energy: -1007.259101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1007.259101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1007.259101 (E_RNA)
where:
Base-Base interactions energy: -659.747
where: short stacking energy: -299.981
Base-Backbone interact. energy: 0.782
local terms energy: -348.294142
where:
bonds (distance) C4'-P energy: -63.144
bonds (distance) P-C4' energy: -72.327
flat angles C4'-P-C4' energy: -73.745
flat angles P-C4'-P energy: -52.433
tors. eta vs tors. theta energy: -86.645
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: 3
=====================================
Write number: 148
Temperature: 1.000000
Total energy: -916.602296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -916.602296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -916.602296 (E_RNA)
where:
Base-Base interactions energy: -588.546
where: short stacking energy: -268.099
Base-Backbone interact. energy: -0.198
local terms energy: -327.857385
where:
bonds (distance) C4'-P energy: -60.271
bonds (distance) P-C4' energy: -58.598
flat angles C4'-P-C4' energy: -76.044
flat angles P-C4'-P energy: -53.501
tors. eta vs tors. theta energy: -79.442
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 148
Temperature: 1.050000
Total energy: -829.335405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -829.335405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -829.335405 (E_RNA)
where:
Base-Base interactions energy: -504.655
where: short stacking energy: -228.650
Base-Backbone interact. energy: -1.189
local terms energy: -323.491694
where:
bonds (distance) C4'-P energy: -73.266
bonds (distance) P-C4' energy: -66.329
flat angles C4'-P-C4' energy: -74.129
flat angles P-C4'-P energy: -45.726
tors. eta vs tors. theta energy: -64.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 148
Temperature: 1.100000
Total energy: -680.938971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -680.938971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -680.938971 (E_RNA)
where:
Base-Base interactions energy: -419.927
where: short stacking energy: -201.928
Base-Backbone interact. energy: 1.919
local terms energy: -262.930930
where:
bonds (distance) C4'-P energy: -56.149
bonds (distance) P-C4' energy: -66.618
flat angles C4'-P-C4' energy: -63.241
flat angles P-C4'-P energy: -40.517
tors. eta vs tors. theta energy: -36.405
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 148
Temperature: 1.150000
Total energy: -491.575299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.575299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.575299 (E_RNA)
where:
Base-Base interactions energy: -237.351
where: short stacking energy: -141.638
Base-Backbone interact. energy: 0.253
local terms energy: -254.476989
where:
bonds (distance) C4'-P energy: -74.066
bonds (distance) P-C4' energy: -65.273
flat angles C4'-P-C4' energy: -54.899
flat angles P-C4'-P energy: -42.464
tors. eta vs tors. theta energy: -17.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 148
Temperature: 1.200000
Total energy: -377.822573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -377.822573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -377.822573 (E_RNA)
where:
Base-Base interactions energy: -175.237
where: short stacking energy: -117.156
Base-Backbone interact. energy: 1.994
local terms energy: -204.579447
where:
bonds (distance) C4'-P energy: -64.987
bonds (distance) P-C4' energy: -54.249
flat angles C4'-P-C4' energy: -49.251
flat angles P-C4'-P energy: -32.983
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: 8, replica: 9
=====================================
Write number: 148
Temperature: 1.250000
Total energy: -321.313978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.313978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.313978 (E_RNA)
where:
Base-Base interactions energy: -146.782
where: short stacking energy: -114.448
Base-Backbone interact. energy: -0.878
local terms energy: -173.654117
where:
bonds (distance) C4'-P energy: -47.371
bonds (distance) P-C4' energy: -58.426
flat angles C4'-P-C4' energy: -40.613
flat angles P-C4'-P energy: -21.449
tors. eta vs tors. theta energy: -5.796
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 148
Temperature: 1.300000
Total energy: -286.522765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.522765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.522765 (E_RNA)
where:
Base-Base interactions energy: -103.232
where: short stacking energy: -94.351
Base-Backbone interact. energy: -1.149
local terms energy: -182.141588
where:
bonds (distance) C4'-P energy: -58.670
bonds (distance) P-C4' energy: -64.957
flat angles C4'-P-C4' energy: -47.278
flat angles P-C4'-P energy: -24.045
tors. eta vs tors. theta energy: 12.809
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 148
Temperature: 1.350000
Total energy: -259.623653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.623653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.623653 (E_RNA)
where:
Base-Base interactions energy: -87.123
where: short stacking energy: -61.664
Base-Backbone interact. energy: -1.618
local terms energy: -170.883236
where:
bonds (distance) C4'-P energy: -68.963
bonds (distance) P-C4' energy: -46.715
flat angles C4'-P-C4' energy: -46.921
flat angles P-C4'-P energy: -23.086
tors. eta vs tors. theta energy: 14.801
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: 4
=====================================
Write number: 149
Temperature: 0.900000
Total energy: -1084.497839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1084.497839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1084.497839 (E_RNA)
where:
Base-Base interactions energy: -709.233
where: short stacking energy: -325.705
Base-Backbone interact. energy: -0.939
local terms energy: -374.326247
where:
bonds (distance) C4'-P energy: -62.114
bonds (distance) P-C4' energy: -70.595
flat angles C4'-P-C4' energy: -81.683
flat angles P-C4'-P energy: -55.049
tors. eta vs tors. theta energy: -104.885
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 149
Temperature: 0.950000
Total energy: -995.944256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -995.944256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -995.944256 (E_RNA)
where:
Base-Base interactions energy: -661.882
where: short stacking energy: -273.635
Base-Backbone interact. energy: -0.746
local terms energy: -333.316984
where:
bonds (distance) C4'-P energy: -59.784
bonds (distance) P-C4' energy: -63.456
flat angles C4'-P-C4' energy: -73.550
flat angles P-C4'-P energy: -45.543
tors. eta vs tors. theta energy: -90.985
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 149
Temperature: 1.000000
Total energy: -925.028858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -925.028858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -925.028858 (E_RNA)
where:
Base-Base interactions energy: -589.017
where: short stacking energy: -267.382
Base-Backbone interact. energy: -1.257
local terms energy: -334.754918
where:
bonds (distance) C4'-P energy: -64.325
bonds (distance) P-C4' energy: -67.595
flat angles C4'-P-C4' energy: -72.542
flat angles P-C4'-P energy: -47.050
tors. eta vs tors. theta energy: -83.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 149
Temperature: 1.050000
Total energy: -801.377352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -801.377352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -801.377352 (E_RNA)
where:
Base-Base interactions energy: -502.542
where: short stacking energy: -217.586
Base-Backbone interact. energy: 0.471
local terms energy: -299.305952
where:
bonds (distance) C4'-P energy: -52.348
bonds (distance) P-C4' energy: -72.636
flat angles C4'-P-C4' energy: -69.374
flat angles P-C4'-P energy: -46.166
tors. eta vs tors. theta energy: -58.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 149
Temperature: 1.100000
Total energy: -749.944716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -749.944716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -749.944716 (E_RNA)
where:
Base-Base interactions energy: -443.292
where: short stacking energy: -221.563
Base-Backbone interact. energy: -3.038
local terms energy: -303.615038
where:
bonds (distance) C4'-P energy: -64.408
bonds (distance) P-C4' energy: -68.187
flat angles C4'-P-C4' energy: -69.559
flat angles P-C4'-P energy: -40.832
tors. eta vs tors. theta energy: -60.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 149
Temperature: 1.150000
Total energy: -497.162290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.162290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.162290 (E_RNA)
where:
Base-Base interactions energy: -244.184
where: short stacking energy: -135.630
Base-Backbone interact. energy: -1.622
local terms energy: -251.356081
where:
bonds (distance) C4'-P energy: -68.893
bonds (distance) P-C4' energy: -67.826
flat angles C4'-P-C4' energy: -56.798
flat angles P-C4'-P energy: -42.282
tors. eta vs tors. theta energy: -15.557
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 149
Temperature: 1.200000
Total energy: -427.724083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -427.724083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -427.724083 (E_RNA)
where:
Base-Base interactions energy: -203.865
where: short stacking energy: -122.141
Base-Backbone interact. energy: -1.197
local terms energy: -222.661874
where:
bonds (distance) C4'-P energy: -57.671
bonds (distance) P-C4' energy: -75.297
flat angles C4'-P-C4' energy: -48.464
flat angles P-C4'-P energy: -28.983
tors. eta vs tors. theta energy: -12.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 149
Temperature: 1.250000
Total energy: -308.386071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.386071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.386071 (E_RNA)
where:
Base-Base interactions energy: -108.296
where: short stacking energy: -66.968
Base-Backbone interact. energy: -1.504
local terms energy: -198.586555
where:
bonds (distance) C4'-P energy: -54.820
bonds (distance) P-C4' energy: -69.915
flat angles C4'-P-C4' energy: -50.232
flat angles P-C4'-P energy: -28.638
tors. eta vs tors. theta energy: 5.017
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 149
Temperature: 1.300000
Total energy: -293.396832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.396832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.396832 (E_RNA)
where:
Base-Base interactions energy: -96.448
where: short stacking energy: -80.436
Base-Backbone interact. energy: -2.097
local terms energy: -194.851390
where:
bonds (distance) C4'-P energy: -52.982
bonds (distance) P-C4' energy: -73.464
flat angles C4'-P-C4' energy: -43.106
flat angles P-C4'-P energy: -25.106
tors. eta vs tors. theta energy: -0.194
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: 149
Temperature: 1.350000
Total energy: -279.839294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.839294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.839294 (E_RNA)
where:
Base-Base interactions energy: -86.551
where: short stacking energy: -75.543
Base-Backbone interact. energy: -0.363
local terms energy: -192.925385
where:
bonds (distance) C4'-P energy: -65.450
bonds (distance) P-C4' energy: -69.880
flat angles C4'-P-C4' energy: -41.003
flat angles P-C4'-P energy: -31.363
tors. eta vs tors. theta energy: 14.770
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 150
Temperature: 0.900000
Total energy: -1104.047832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1104.047832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1104.047832 (E_RNA)
where:
Base-Base interactions energy: -731.629
where: short stacking energy: -331.210
Base-Backbone interact. energy: -1.289
local terms energy: -371.129964
where:
bonds (distance) C4'-P energy: -72.748
bonds (distance) P-C4' energy: -71.034
flat angles C4'-P-C4' energy: -72.322
flat angles P-C4'-P energy: -49.814
tors. eta vs tors. theta energy: -105.211
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 150
Temperature: 0.950000
Total energy: -996.552967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -996.552967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -996.552967 (E_RNA)
where:
Base-Base interactions energy: -650.138
where: short stacking energy: -291.574
Base-Backbone interact. energy: 0.508
local terms energy: -346.923572
where:
bonds (distance) C4'-P energy: -72.803
bonds (distance) P-C4' energy: -66.538
flat angles C4'-P-C4' energy: -70.360
flat angles P-C4'-P energy: -42.533
tors. eta vs tors. theta energy: -94.689
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: 3
=====================================
Write number: 150
Temperature: 1.000000
Total energy: -906.197409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -906.197409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -906.197409 (E_RNA)
where:
Base-Base interactions energy: -595.767
where: short stacking energy: -271.022
Base-Backbone interact. energy: -2.022
local terms energy: -308.408593
where:
bonds (distance) C4'-P energy: -64.475
bonds (distance) P-C4' energy: -58.217
flat angles C4'-P-C4' energy: -65.642
flat angles P-C4'-P energy: -44.276
tors. eta vs tors. theta energy: -75.799
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 150
Temperature: 1.050000
Total energy: -797.255339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -797.255339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -797.255339 (E_RNA)
where:
Base-Base interactions energy: -475.132
where: short stacking energy: -242.264
Base-Backbone interact. energy: -0.696
local terms energy: -321.426854
where:
bonds (distance) C4'-P energy: -64.613
bonds (distance) P-C4' energy: -76.025
flat angles C4'-P-C4' energy: -68.448
flat angles P-C4'-P energy: -42.650
tors. eta vs tors. theta energy: -69.691
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: 6
=====================================
Write number: 150
Temperature: 1.100000
Total energy: -752.165699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -752.165699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -752.165699 (E_RNA)
where:
Base-Base interactions energy: -468.115
where: short stacking energy: -213.995
Base-Backbone interact. energy: -1.764
local terms energy: -282.286579
where:
bonds (distance) C4'-P energy: -70.306
bonds (distance) P-C4' energy: -64.003
flat angles C4'-P-C4' energy: -52.277
flat angles P-C4'-P energy: -39.313
tors. eta vs tors. theta energy: -56.388
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: 2
=====================================
Write number: 150
Temperature: 1.150000
Total energy: -499.869201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.869201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.869201 (E_RNA)
where:
Base-Base interactions energy: -259.368
where: short stacking energy: -144.687
Base-Backbone interact. energy: 0.291
local terms energy: -240.792243
where:
bonds (distance) C4'-P energy: -64.197
bonds (distance) P-C4' energy: -51.596
flat angles C4'-P-C4' energy: -70.651
flat angles P-C4'-P energy: -32.220
tors. eta vs tors. theta energy: -22.127
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: 7
=====================================
Write number: 150
Temperature: 1.200000
Total energy: -382.192683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -382.192683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -382.192683 (E_RNA)
where:
Base-Base interactions energy: -175.487
where: short stacking energy: -110.337
Base-Backbone interact. energy: 2.932
local terms energy: -209.637406
where:
bonds (distance) C4'-P energy: -63.490
bonds (distance) P-C4' energy: -72.654
flat angles C4'-P-C4' energy: -37.974
flat angles P-C4'-P energy: -30.862
tors. eta vs tors. theta energy: -4.658
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 150
Temperature: 1.250000
Total energy: -331.403711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.403711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.403711 (E_RNA)
where:
Base-Base interactions energy: -147.188
where: short stacking energy: -109.100
Base-Backbone interact. energy: 2.876
local terms energy: -187.091385
where:
bonds (distance) C4'-P energy: -51.704
bonds (distance) P-C4' energy: -64.076
flat angles C4'-P-C4' energy: -45.619
flat angles P-C4'-P energy: -29.535
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: 9, replica: 10
=====================================
Write number: 150
Temperature: 1.300000
Total energy: -295.961705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.961705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.961705 (E_RNA)
where:
Base-Base interactions energy: -82.141
where: short stacking energy: -74.951
Base-Backbone interact. energy: 0.555
local terms energy: -214.375793
where:
bonds (distance) C4'-P energy: -57.411
bonds (distance) P-C4' energy: -57.609
flat angles C4'-P-C4' energy: -57.568
flat angles P-C4'-P energy: -42.187
tors. eta vs tors. theta energy: 0.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 150
Temperature: 1.350000
Total energy: -257.939892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.939892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.939892 (E_RNA)
where:
Base-Base interactions energy: -72.087
where: short stacking energy: -46.768
Base-Backbone interact. energy: 3.085
local terms energy: -188.937892
where:
bonds (distance) C4'-P energy: -56.963
bonds (distance) P-C4' energy: -63.152
flat angles C4'-P-C4' energy: -58.130
flat angles P-C4'-P energy: -23.252
tors. eta vs tors. theta energy: 12.559
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: 4
=====================================
Write number: 151
Temperature: 0.900000
Total energy: -1084.253244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1084.253244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1084.253244 (E_RNA)
where:
Base-Base interactions energy: -724.632
where: short stacking energy: -308.521
Base-Backbone interact. energy: -0.401
local terms energy: -359.219943
where:
bonds (distance) C4'-P energy: -67.725
bonds (distance) P-C4' energy: -65.652
flat angles C4'-P-C4' energy: -77.855
flat angles P-C4'-P energy: -44.948
tors. eta vs tors. theta energy: -103.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 151
Temperature: 0.950000
Total energy: -1020.889582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1020.889582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1020.889582 (E_RNA)
where:
Base-Base interactions energy: -648.496
where: short stacking energy: -281.317
Base-Backbone interact. energy: -1.598
local terms energy: -370.794900
where:
bonds (distance) C4'-P energy: -68.082
bonds (distance) P-C4' energy: -73.954
flat angles C4'-P-C4' energy: -83.099
flat angles P-C4'-P energy: -50.437
tors. eta vs tors. theta energy: -95.223
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: 151
Temperature: 1.000000
Total energy: -903.471768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -903.471768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -903.471768 (E_RNA)
where:
Base-Base interactions energy: -566.880
where: short stacking energy: -254.660
Base-Backbone interact. energy: 0.308
local terms energy: -336.899616
where:
bonds (distance) C4'-P energy: -68.637
bonds (distance) P-C4' energy: -68.687
flat angles C4'-P-C4' energy: -74.391
flat angles P-C4'-P energy: -46.866
tors. eta vs tors. theta energy: -78.319
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 151
Temperature: 1.050000
Total energy: -835.751765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -835.751765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -835.751765 (E_RNA)
where:
Base-Base interactions energy: -515.735
where: short stacking energy: -266.155
Base-Backbone interact. energy: 0.031
local terms energy: -320.048187
where:
bonds (distance) C4'-P energy: -54.348
bonds (distance) P-C4' energy: -63.819
flat angles C4'-P-C4' energy: -71.093
flat angles P-C4'-P energy: -40.291
tors. eta vs tors. theta energy: -90.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 151
Temperature: 1.100000
Total energy: -704.642256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -704.642256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -704.642256 (E_RNA)
where:
Base-Base interactions energy: -423.450
where: short stacking energy: -214.906
Base-Backbone interact. energy: -2.046
local terms energy: -279.146407
where:
bonds (distance) C4'-P energy: -52.553
bonds (distance) P-C4' energy: -62.824
flat angles C4'-P-C4' energy: -70.158
flat angles P-C4'-P energy: -40.624
tors. eta vs tors. theta energy: -52.987
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 151
Temperature: 1.150000
Total energy: -473.509231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -473.509231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -473.509231 (E_RNA)
where:
Base-Base interactions energy: -225.238
where: short stacking energy: -121.655
Base-Backbone interact. energy: -0.619
local terms energy: -247.652471
where:
bonds (distance) C4'-P energy: -64.909
bonds (distance) P-C4' energy: -64.347
flat angles C4'-P-C4' energy: -53.587
flat angles P-C4'-P energy: -39.914
tors. eta vs tors. theta energy: -24.895
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: 7
=====================================
Write number: 151
Temperature: 1.200000
Total energy: -382.994575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -382.994575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -382.994575 (E_RNA)
where:
Base-Base interactions energy: -157.698
where: short stacking energy: -114.701
Base-Backbone interact. energy: 0.758
local terms energy: -226.054747
where:
bonds (distance) C4'-P energy: -51.701
bonds (distance) P-C4' energy: -62.665
flat angles C4'-P-C4' energy: -51.147
flat angles P-C4'-P energy: -41.340
tors. eta vs tors. theta energy: -19.202
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: 10
=====================================
Write number: 151
Temperature: 1.250000
Total energy: -314.501802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.501802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.501802 (E_RNA)
where:
Base-Base interactions energy: -120.390
where: short stacking energy: -100.150
Base-Backbone interact. energy: 2.047
local terms energy: -196.158647
where:
bonds (distance) C4'-P energy: -55.777
bonds (distance) P-C4' energy: -56.551
flat angles C4'-P-C4' energy: -50.499
flat angles P-C4'-P energy: -23.952
tors. eta vs tors. theta energy: -9.380
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: 8
=====================================
Write number: 151
Temperature: 1.300000
Total energy: -294.288504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.288504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.288504 (E_RNA)
where:
Base-Base interactions energy: -101.370
where: short stacking energy: -82.992
Base-Backbone interact. energy: 5.638
local terms energy: -198.555857
where:
bonds (distance) C4'-P energy: -62.862
bonds (distance) P-C4' energy: -59.718
flat angles C4'-P-C4' energy: -47.456
flat angles P-C4'-P energy: -36.023
tors. eta vs tors. theta energy: 7.502
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 151
Temperature: 1.350000
Total energy: -313.106668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.106668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.106668 (E_RNA)
where:
Base-Base interactions energy: -146.412
where: short stacking energy: -81.551
Base-Backbone interact. energy: 2.120
local terms energy: -168.813801
where:
bonds (distance) C4'-P energy: -51.205
bonds (distance) P-C4' energy: -63.546
flat angles C4'-P-C4' energy: -42.638
flat angles P-C4'-P energy: -37.095
tors. eta vs tors. theta energy: 25.669
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: 1, replica: 4
=====================================
Write number: 152
Temperature: 0.900000
Total energy: -1095.294761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1095.294761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1095.294761 (E_RNA)
where:
Base-Base interactions energy: -714.161
where: short stacking energy: -344.316
Base-Backbone interact. energy: -0.359
local terms energy: -380.774506
where:
bonds (distance) C4'-P energy: -54.025
bonds (distance) P-C4' energy: -80.554
flat angles C4'-P-C4' energy: -81.454
flat angles P-C4'-P energy: -52.672
tors. eta vs tors. theta energy: -112.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 152
Temperature: 0.950000
Total energy: -1017.988126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1017.988126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1017.988126 (E_RNA)
where:
Base-Base interactions energy: -655.007
where: short stacking energy: -289.124
Base-Backbone interact. energy: -0.788
local terms energy: -362.193120
where:
bonds (distance) C4'-P energy: -74.227
bonds (distance) P-C4' energy: -66.326
flat angles C4'-P-C4' energy: -68.285
flat angles P-C4'-P energy: -50.324
tors. eta vs tors. theta energy: -103.031
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 152
Temperature: 1.000000
Total energy: -871.881044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -871.881044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -871.881044 (E_RNA)
where:
Base-Base interactions energy: -535.145
where: short stacking energy: -268.601
Base-Backbone interact. energy: -1.615
local terms energy: -335.121492
where:
bonds (distance) C4'-P energy: -62.242
bonds (distance) P-C4' energy: -68.326
flat angles C4'-P-C4' energy: -81.999
flat angles P-C4'-P energy: -40.631
tors. eta vs tors. theta energy: -81.924
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 152
Temperature: 1.050000
Total energy: -877.278558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -877.278558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -877.278558 (E_RNA)
where:
Base-Base interactions energy: -555.566
where: short stacking energy: -264.519
Base-Backbone interact. energy: 4.736
local terms energy: -326.448036
where:
bonds (distance) C4'-P energy: -68.995
bonds (distance) P-C4' energy: -68.406
flat angles C4'-P-C4' energy: -58.975
flat angles P-C4'-P energy: -50.572
tors. eta vs tors. theta energy: -79.500
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 152
Temperature: 1.100000
Total energy: -672.707673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -672.707673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -672.707673 (E_RNA)
where:
Base-Base interactions energy: -401.907
where: short stacking energy: -194.607
Base-Backbone interact. energy: -1.836
local terms energy: -268.964728
where:
bonds (distance) C4'-P energy: -52.775
bonds (distance) P-C4' energy: -61.096
flat angles C4'-P-C4' energy: -66.836
flat angles P-C4'-P energy: -34.681
tors. eta vs tors. theta energy: -53.577
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: 6, replica: 2
=====================================
Write number: 152
Temperature: 1.150000
Total energy: -488.642753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.642753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.642753 (E_RNA)
where:
Base-Base interactions energy: -244.302
where: short stacking energy: -141.260
Base-Backbone interact. energy: 2.586
local terms energy: -246.927372
where:
bonds (distance) C4'-P energy: -65.481
bonds (distance) P-C4' energy: -56.364
flat angles C4'-P-C4' energy: -59.438
flat angles P-C4'-P energy: -39.462
tors. eta vs tors. theta energy: -26.182
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: 10
=====================================
Write number: 152
Temperature: 1.200000
Total energy: -350.117699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.117699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.117699 (E_RNA)
where:
Base-Base interactions energy: -137.872
where: short stacking energy: -105.864
Base-Backbone interact. energy: -1.205
local terms energy: -211.040663
where:
bonds (distance) C4'-P energy: -46.635
bonds (distance) P-C4' energy: -70.426
flat angles C4'-P-C4' energy: -53.542
flat angles P-C4'-P energy: -34.915
tors. eta vs tors. theta energy: -5.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 152
Temperature: 1.250000
Total energy: -355.595900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.595900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.595900 (E_RNA)
where:
Base-Base interactions energy: -146.255
where: short stacking energy: -86.064
Base-Backbone interact. energy: -0.307
local terms energy: -209.033839
where:
bonds (distance) C4'-P energy: -64.314
bonds (distance) P-C4' energy: -65.239
flat angles C4'-P-C4' energy: -47.756
flat angles P-C4'-P energy: -37.080
tors. eta vs tors. theta energy: 5.355
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 152
Temperature: 1.300000
Total energy: -299.775948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.775948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.775948 (E_RNA)
where:
Base-Base interactions energy: -120.090
where: short stacking energy: -87.115
Base-Backbone interact. energy: 1.837
local terms energy: -181.523637
where:
bonds (distance) C4'-P energy: -71.354
bonds (distance) P-C4' energy: -60.144
flat angles C4'-P-C4' energy: -36.806
flat angles P-C4'-P energy: -20.277
tors. eta vs tors. theta energy: 7.056
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 152
Temperature: 1.350000
Total energy: -278.803233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.803233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.803233 (E_RNA)
where:
Base-Base interactions energy: -78.643
where: short stacking energy: -68.055
Base-Backbone interact. energy: -1.215
local terms energy: -198.944957
where:
bonds (distance) C4'-P energy: -57.915
bonds (distance) P-C4' energy: -59.640
flat angles C4'-P-C4' energy: -54.904
flat angles P-C4'-P energy: -29.259
tors. eta vs tors. theta energy: 2.773
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: 4
=====================================
Write number: 153
Temperature: 0.900000
Total energy: -1084.977758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1084.977758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1084.977758 (E_RNA)
where:
Base-Base interactions energy: -716.789
where: short stacking energy: -324.609
Base-Backbone interact. energy: -2.101
local terms energy: -366.087549
where:
bonds (distance) C4'-P energy: -67.533
bonds (distance) P-C4' energy: -68.338
flat angles C4'-P-C4' energy: -75.725
flat angles P-C4'-P energy: -44.622
tors. eta vs tors. theta energy: -109.869
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: 2, replica: 1
=====================================
Write number: 153
Temperature: 0.950000
Total energy: -1025.965365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1025.965365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1025.965365 (E_RNA)
where:
Base-Base interactions energy: -675.734
where: short stacking energy: -316.367
Base-Backbone interact. energy: -0.947
local terms energy: -349.284667
where:
bonds (distance) C4'-P energy: -68.031
bonds (distance) P-C4' energy: -65.252
flat angles C4'-P-C4' energy: -69.745
flat angles P-C4'-P energy: -45.254
tors. eta vs tors. theta energy: -101.004
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 153
Temperature: 1.000000
Total energy: -863.442422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -863.442422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -863.442422 (E_RNA)
where:
Base-Base interactions energy: -537.891
where: short stacking energy: -249.137
Base-Backbone interact. energy: 1.747
local terms energy: -327.298152
where:
bonds (distance) C4'-P energy: -64.316
bonds (distance) P-C4' energy: -68.951
flat angles C4'-P-C4' energy: -71.498
flat angles P-C4'-P energy: -46.880
tors. eta vs tors. theta energy: -75.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 153
Temperature: 1.050000
Total energy: -878.863780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -878.863780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -878.863780 (E_RNA)
where:
Base-Base interactions energy: -553.687
where: short stacking energy: -265.786
Base-Backbone interact. energy: -2.626
local terms energy: -322.550428
where:
bonds (distance) C4'-P energy: -63.352
bonds (distance) P-C4' energy: -68.200
flat angles C4'-P-C4' energy: -68.734
flat angles P-C4'-P energy: -41.352
tors. eta vs tors. theta energy: -80.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 153
Temperature: 1.100000
Total energy: -669.403210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -669.403210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -669.403210 (E_RNA)
where:
Base-Base interactions energy: -400.285
where: short stacking energy: -202.102
Base-Backbone interact. energy: -1.283
local terms energy: -267.835273
where:
bonds (distance) C4'-P energy: -53.950
bonds (distance) P-C4' energy: -43.311
flat angles C4'-P-C4' energy: -76.603
flat angles P-C4'-P energy: -48.456
tors. eta vs tors. theta energy: -45.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 153
Temperature: 1.150000
Total energy: -500.089036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.089036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.089036 (E_RNA)
where:
Base-Base interactions energy: -273.054
where: short stacking energy: -140.751
Base-Backbone interact. energy: -1.113
local terms energy: -225.921876
where:
bonds (distance) C4'-P energy: -64.417
bonds (distance) P-C4' energy: -67.020
flat angles C4'-P-C4' energy: -46.378
flat angles P-C4'-P energy: -39.507
tors. eta vs tors. theta energy: -8.600
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: 153
Temperature: 1.200000
Total energy: -375.611980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -375.611980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -375.611980 (E_RNA)
where:
Base-Base interactions energy: -153.580
where: short stacking energy: -102.621
Base-Backbone interact. energy: -0.605
local terms energy: -221.427324
where:
bonds (distance) C4'-P energy: -51.618
bonds (distance) P-C4' energy: -70.136
flat angles C4'-P-C4' energy: -56.117
flat angles P-C4'-P energy: -36.678
tors. eta vs tors. theta energy: -6.879
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: 153
Temperature: 1.250000
Total energy: -384.884780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -384.884780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -384.884780 (E_RNA)
where:
Base-Base interactions energy: -179.703
where: short stacking energy: -111.657
Base-Backbone interact. energy: 0.373
local terms energy: -205.554858
where:
bonds (distance) C4'-P energy: -51.588
bonds (distance) P-C4' energy: -60.541
flat angles C4'-P-C4' energy: -57.988
flat angles P-C4'-P energy: -25.902
tors. eta vs tors. theta energy: -9.536
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 153
Temperature: 1.300000
Total energy: -295.111666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.111666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.111666 (E_RNA)
where:
Base-Base interactions energy: -106.192
where: short stacking energy: -76.981
Base-Backbone interact. energy: 1.495
local terms energy: -190.414966
where:
bonds (distance) C4'-P energy: -50.556
bonds (distance) P-C4' energy: -68.473
flat angles C4'-P-C4' energy: -41.949
flat angles P-C4'-P energy: -33.199
tors. eta vs tors. theta energy: 3.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 153
Temperature: 1.350000
Total energy: -261.591563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.591563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.591563 (E_RNA)
where:
Base-Base interactions energy: -97.574
where: short stacking energy: -85.734
Base-Backbone interact. energy: 1.291
local terms energy: -165.307721
where:
bonds (distance) C4'-P energy: -42.123
bonds (distance) P-C4' energy: -57.087
flat angles C4'-P-C4' energy: -34.508
flat angles P-C4'-P energy: -31.339
tors. eta vs tors. theta energy: -0.251
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 154
Temperature: 0.900000
Total energy: -1092.072750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1092.072750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1092.072750 (E_RNA)
where:
Base-Base interactions energy: -739.292
where: short stacking energy: -332.543
Base-Backbone interact. energy: -0.537
local terms energy: -352.244708
where:
bonds (distance) C4'-P energy: -67.423
bonds (distance) P-C4' energy: -65.510
flat angles C4'-P-C4' energy: -71.123
flat angles P-C4'-P energy: -43.887
tors. eta vs tors. theta energy: -104.301
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: 154
Temperature: 0.950000
Total energy: -1043.596196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1043.596196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1043.596196 (E_RNA)
where:
Base-Base interactions energy: -678.988
where: short stacking energy: -318.847
Base-Backbone interact. energy: -2.614
local terms energy: -361.994219
where:
bonds (distance) C4'-P energy: -65.093
bonds (distance) P-C4' energy: -64.106
flat angles C4'-P-C4' energy: -81.855
flat angles P-C4'-P energy: -48.808
tors. eta vs tors. theta energy: -102.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 154
Temperature: 1.000000
Total energy: -891.007291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -891.007291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -891.007291 (E_RNA)
where:
Base-Base interactions energy: -559.320
where: short stacking energy: -264.175
Base-Backbone interact. energy: -5.046
local terms energy: -326.641797
where:
bonds (distance) C4'-P energy: -70.196
bonds (distance) P-C4' energy: -65.787
flat angles C4'-P-C4' energy: -72.749
flat angles P-C4'-P energy: -47.720
tors. eta vs tors. theta energy: -70.189
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: 3
=====================================
Write number: 154
Temperature: 1.050000
Total energy: -869.007500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -869.007500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -869.007500 (E_RNA)
where:
Base-Base interactions energy: -560.599
where: short stacking energy: -261.200
Base-Backbone interact. energy: -1.271
local terms energy: -307.138197
where:
bonds (distance) C4'-P energy: -59.762
bonds (distance) P-C4' energy: -71.724
flat angles C4'-P-C4' energy: -64.972
flat angles P-C4'-P energy: -35.402
tors. eta vs tors. theta energy: -75.278
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: 5, replica: 6
=====================================
Write number: 154
Temperature: 1.100000
Total energy: -711.131630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -711.131630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -711.131630 (E_RNA)
where:
Base-Base interactions energy: -437.967
where: short stacking energy: -193.398
Base-Backbone interact. energy: -1.091
local terms energy: -272.073956
where:
bonds (distance) C4'-P energy: -69.623
bonds (distance) P-C4' energy: -61.226
flat angles C4'-P-C4' energy: -60.741
flat angles P-C4'-P energy: -28.476
tors. eta vs tors. theta energy: -52.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 154
Temperature: 1.150000
Total energy: -479.800221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.800221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -479.800221 (E_RNA)
where:
Base-Base interactions energy: -235.374
where: short stacking energy: -119.775
Base-Backbone interact. energy: -0.623
local terms energy: -243.803223
where:
bonds (distance) C4'-P energy: -56.434
bonds (distance) P-C4' energy: -64.760
flat angles C4'-P-C4' energy: -72.766
flat angles P-C4'-P energy: -36.763
tors. eta vs tors. theta energy: -13.079
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: 154
Temperature: 1.200000
Total energy: -373.640027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.640027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.640027 (E_RNA)
where:
Base-Base interactions energy: -137.585
where: short stacking energy: -102.548
Base-Backbone interact. energy: -1.299
local terms energy: -234.755876
where:
bonds (distance) C4'-P energy: -65.483
bonds (distance) P-C4' energy: -70.762
flat angles C4'-P-C4' energy: -54.303
flat angles P-C4'-P energy: -37.342
tors. eta vs tors. theta energy: -6.866
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: 10
=====================================
Write number: 154
Temperature: 1.250000
Total energy: -388.791146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -388.791146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -388.791146 (E_RNA)
where:
Base-Base interactions energy: -155.085
where: short stacking energy: -94.791
Base-Backbone interact. energy: -0.294
local terms energy: -233.412169
where:
bonds (distance) C4'-P energy: -62.203
bonds (distance) P-C4' energy: -66.868
flat angles C4'-P-C4' energy: -64.537
flat angles P-C4'-P energy: -31.349
tors. eta vs tors. theta energy: -8.455
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: 9
=====================================
Write number: 154
Temperature: 1.300000
Total energy: -288.775846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.775846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.775846 (E_RNA)
where:
Base-Base interactions energy: -95.475
where: short stacking energy: -82.582
Base-Backbone interact. energy: 1.055
local terms energy: -194.355710
where:
bonds (distance) C4'-P energy: -56.816
bonds (distance) P-C4' energy: -67.042
flat angles C4'-P-C4' energy: -52.534
flat angles P-C4'-P energy: -27.540
tors. eta vs tors. theta energy: 9.576
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 154
Temperature: 1.350000
Total energy: -271.400161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.400161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.400161 (E_RNA)
where:
Base-Base interactions energy: -96.222
where: short stacking energy: -84.104
Base-Backbone interact. energy: -0.428
local terms energy: -174.751022
where:
bonds (distance) C4'-P energy: -54.819
bonds (distance) P-C4' energy: -57.474
flat angles C4'-P-C4' energy: -39.494
flat angles P-C4'-P energy: -31.490
tors. eta vs tors. theta energy: 8.527
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: 4
=====================================
Write number: 155
Temperature: 0.900000
Total energy: -1087.335231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1087.335231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1087.335231 (E_RNA)
where:
Base-Base interactions energy: -711.115
where: short stacking energy: -333.987
Base-Backbone interact. energy: 1.433
local terms energy: -377.653365
where:
bonds (distance) C4'-P energy: -75.670
bonds (distance) P-C4' energy: -70.540
flat angles C4'-P-C4' energy: -77.047
flat angles P-C4'-P energy: -51.152
tors. eta vs tors. theta energy: -103.244
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 155
Temperature: 0.950000
Total energy: -1068.697537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1068.697537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1068.697537 (E_RNA)
where:
Base-Base interactions energy: -696.781
where: short stacking energy: -306.653
Base-Backbone interact. energy: -1.337
local terms energy: -370.579235
where:
bonds (distance) C4'-P energy: -67.763
bonds (distance) P-C4' energy: -77.500
flat angles C4'-P-C4' energy: -78.362
flat angles P-C4'-P energy: -45.356
tors. eta vs tors. theta energy: -101.598
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 155
Temperature: 1.000000
Total energy: -883.288616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -883.288616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -883.288616 (E_RNA)
where:
Base-Base interactions energy: -574.180
where: short stacking energy: -266.435
Base-Backbone interact. energy: 0.298
local terms energy: -309.406912
where:
bonds (distance) C4'-P energy: -57.814
bonds (distance) P-C4' energy: -62.529
flat angles C4'-P-C4' energy: -71.812
flat angles P-C4'-P energy: -47.673
tors. eta vs tors. theta energy: -69.579
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: 4, replica: 3
=====================================
Write number: 155
Temperature: 1.050000
Total energy: -868.554480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -868.554480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -868.554480 (E_RNA)
where:
Base-Base interactions energy: -558.149
where: short stacking energy: -240.494
Base-Backbone interact. energy: -2.634
local terms energy: -307.771958
where:
bonds (distance) C4'-P energy: -54.129
bonds (distance) P-C4' energy: -63.548
flat angles C4'-P-C4' energy: -66.393
flat angles P-C4'-P energy: -48.989
tors. eta vs tors. theta energy: -74.713
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: 6
=====================================
Write number: 155
Temperature: 1.100000
Total energy: -730.054912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -730.054912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -730.054912 (E_RNA)
where:
Base-Base interactions energy: -450.662
where: short stacking energy: -215.112
Base-Backbone interact. energy: 1.660
local terms energy: -281.053049
where:
bonds (distance) C4'-P energy: -61.902
bonds (distance) P-C4' energy: -65.798
flat angles C4'-P-C4' energy: -62.559
flat angles P-C4'-P energy: -43.194
tors. eta vs tors. theta energy: -47.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 155
Temperature: 1.150000
Total energy: -432.100788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -432.100788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -432.100788 (E_RNA)
where:
Base-Base interactions energy: -190.843
where: short stacking energy: -134.789
Base-Backbone interact. energy: 5.992
local terms energy: -247.249790
where:
bonds (distance) C4'-P energy: -60.077
bonds (distance) P-C4' energy: -70.139
flat angles C4'-P-C4' energy: -59.448
flat angles P-C4'-P energy: -35.312
tors. eta vs tors. theta energy: -22.274
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 155
Temperature: 1.200000
Total energy: -344.548781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.548781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.548781 (E_RNA)
where:
Base-Base interactions energy: -123.044
where: short stacking energy: -104.767
Base-Backbone interact. energy: -2.780
local terms energy: -218.724912
where:
bonds (distance) C4'-P energy: -46.829
bonds (distance) P-C4' energy: -71.980
flat angles C4'-P-C4' energy: -64.719
flat angles P-C4'-P energy: -36.608
tors. eta vs tors. theta energy: 1.411
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 155
Temperature: 1.250000
Total energy: -416.234516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.234516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.234516 (E_RNA)
where:
Base-Base interactions energy: -196.891
where: short stacking energy: -105.247
Base-Backbone interact. energy: -0.947
local terms energy: -218.396465
where:
bonds (distance) C4'-P energy: -55.366
bonds (distance) P-C4' energy: -62.991
flat angles C4'-P-C4' energy: -59.575
flat angles P-C4'-P energy: -33.446
tors. eta vs tors. theta energy: -7.019
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 155
Temperature: 1.300000
Total energy: -320.247188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.247188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.247188 (E_RNA)
where:
Base-Base interactions energy: -108.405
where: short stacking energy: -85.668
Base-Backbone interact. energy: -0.792
local terms energy: -211.050021
where:
bonds (distance) C4'-P energy: -65.939
bonds (distance) P-C4' energy: -65.846
flat angles C4'-P-C4' energy: -53.738
flat angles P-C4'-P energy: -32.768
tors. eta vs tors. theta energy: 7.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 155
Temperature: 1.350000
Total energy: -263.572902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.572902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.572902 (E_RNA)
where:
Base-Base interactions energy: -92.311
where: short stacking energy: -72.969
Base-Backbone interact. energy: 0.943
local terms energy: -172.205579
where:
bonds (distance) C4'-P energy: -60.162
bonds (distance) P-C4' energy: -46.339
flat angles C4'-P-C4' energy: -49.344
flat angles P-C4'-P energy: -26.686
tors. eta vs tors. theta energy: 10.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 156
Temperature: 0.900000
Total energy: -1093.761025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1093.761025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1093.761025 (E_RNA)
where:
Base-Base interactions energy: -717.260
where: short stacking energy: -318.037
Base-Backbone interact. energy: -0.593
local terms energy: -375.907837
where:
bonds (distance) C4'-P energy: -71.977
bonds (distance) P-C4' energy: -69.625
flat angles C4'-P-C4' energy: -79.940
flat angles P-C4'-P energy: -49.469
tors. eta vs tors. theta energy: -104.898
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: 1
=====================================
Write number: 156
Temperature: 0.950000
Total energy: -1042.736407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1042.736407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1042.736407 (E_RNA)
where:
Base-Base interactions energy: -702.953
where: short stacking energy: -289.499
Base-Backbone interact. energy: -1.739
local terms energy: -338.044443
where:
bonds (distance) C4'-P energy: -62.821
bonds (distance) P-C4' energy: -63.018
flat angles C4'-P-C4' energy: -69.144
flat angles P-C4'-P energy: -42.673
tors. eta vs tors. theta energy: -100.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 156
Temperature: 1.000000
Total energy: -880.951178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -880.951178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -880.951178 (E_RNA)
where:
Base-Base interactions energy: -560.046
where: short stacking energy: -273.548
Base-Backbone interact. energy: -0.408
local terms energy: -320.496910
where:
bonds (distance) C4'-P energy: -67.534
bonds (distance) P-C4' energy: -66.040
flat angles C4'-P-C4' energy: -67.236
flat angles P-C4'-P energy: -39.548
tors. eta vs tors. theta energy: -80.139
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 156
Temperature: 1.050000
Total energy: -858.845744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -858.845744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -858.845744 (E_RNA)
where:
Base-Base interactions energy: -559.420
where: short stacking energy: -241.289
Base-Backbone interact. energy: -0.262
local terms energy: -299.164536
where:
bonds (distance) C4'-P energy: -58.865
bonds (distance) P-C4' energy: -59.028
flat angles C4'-P-C4' energy: -72.899
flat angles P-C4'-P energy: -34.640
tors. eta vs tors. theta energy: -73.733
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: 5, replica: 6
=====================================
Write number: 156
Temperature: 1.100000
Total energy: -715.369469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -715.369469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -715.369469 (E_RNA)
where:
Base-Base interactions energy: -436.313
where: short stacking energy: -225.681
Base-Backbone interact. energy: -1.427
local terms energy: -277.629322
where:
bonds (distance) C4'-P energy: -60.793
bonds (distance) P-C4' energy: -55.574
flat angles C4'-P-C4' energy: -67.722
flat angles P-C4'-P energy: -46.627
tors. eta vs tors. theta energy: -46.914
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: 2
=====================================
Write number: 156
Temperature: 1.150000
Total energy: -454.416049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -454.416049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -454.416049 (E_RNA)
where:
Base-Base interactions energy: -216.952
where: short stacking energy: -113.406
Base-Backbone interact. energy: 1.450
local terms energy: -238.914529
where:
bonds (distance) C4'-P energy: -64.983
bonds (distance) P-C4' energy: -67.843
flat angles C4'-P-C4' energy: -49.754
flat angles P-C4'-P energy: -45.243
tors. eta vs tors. theta energy: -11.092
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 156
Temperature: 1.200000
Total energy: -370.294379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.294379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.294379 (E_RNA)
where:
Base-Base interactions energy: -134.904
where: short stacking energy: -104.530
Base-Backbone interact. energy: -1.165
local terms energy: -234.225196
where:
bonds (distance) C4'-P energy: -64.964
bonds (distance) P-C4' energy: -67.759
flat angles C4'-P-C4' energy: -57.517
flat angles P-C4'-P energy: -37.293
tors. eta vs tors. theta energy: -6.693
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: 10
=====================================
Write number: 156
Temperature: 1.250000
Total energy: -398.729272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -398.729272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -398.729272 (E_RNA)
where:
Base-Base interactions energy: -180.751
where: short stacking energy: -94.431
Base-Backbone interact. energy: -2.903
local terms energy: -215.074735
where:
bonds (distance) C4'-P energy: -49.651
bonds (distance) P-C4' energy: -62.845
flat angles C4'-P-C4' energy: -52.899
flat angles P-C4'-P energy: -36.786
tors. eta vs tors. theta energy: -12.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 156
Temperature: 1.300000
Total energy: -286.375566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.375566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.375566 (E_RNA)
where:
Base-Base interactions energy: -99.684
where: short stacking energy: -79.606
Base-Backbone interact. energy: -2.527
local terms energy: -184.164320
where:
bonds (distance) C4'-P energy: -49.963
bonds (distance) P-C4' energy: -45.774
flat angles C4'-P-C4' energy: -59.845
flat angles P-C4'-P energy: -36.941
tors. eta vs tors. theta energy: 8.359
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 156
Temperature: 1.350000
Total energy: -281.394773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.394773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.394773 (E_RNA)
where:
Base-Base interactions energy: -113.609
where: short stacking energy: -98.856
Base-Backbone interact. energy: -1.981
local terms energy: -165.804933
where:
bonds (distance) C4'-P energy: -45.552
bonds (distance) P-C4' energy: -58.307
flat angles C4'-P-C4' energy: -33.964
flat angles P-C4'-P energy: -28.020
tors. eta vs tors. theta energy: 0.038
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 157
Temperature: 0.900000
Total energy: -1097.296536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1097.296536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1097.296536 (E_RNA)
where:
Base-Base interactions energy: -744.189
where: short stacking energy: -314.903
Base-Backbone interact. energy: -2.698
local terms energy: -350.409107
where:
bonds (distance) C4'-P energy: -72.188
bonds (distance) P-C4' energy: -59.123
flat angles C4'-P-C4' energy: -80.142
flat angles P-C4'-P energy: -41.885
tors. eta vs tors. theta energy: -97.071
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: 1
=====================================
Write number: 157
Temperature: 0.950000
Total energy: -1045.516128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1045.516128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1045.516128 (E_RNA)
where:
Base-Base interactions energy: -685.404
where: short stacking energy: -312.949
Base-Backbone interact. energy: -2.091
local terms energy: -358.020974
where:
bonds (distance) C4'-P energy: -66.359
bonds (distance) P-C4' energy: -58.718
flat angles C4'-P-C4' energy: -67.340
flat angles P-C4'-P energy: -55.922
tors. eta vs tors. theta energy: -109.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 157
Temperature: 1.000000
Total energy: -853.742376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -853.742376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -853.742376 (E_RNA)
where:
Base-Base interactions energy: -540.424
where: short stacking energy: -266.994
Base-Backbone interact. energy: -0.330
local terms energy: -312.988964
where:
bonds (distance) C4'-P energy: -62.753
bonds (distance) P-C4' energy: -65.123
flat angles C4'-P-C4' energy: -66.895
flat angles P-C4'-P energy: -47.108
tors. eta vs tors. theta energy: -71.110
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: 3
=====================================
Write number: 157
Temperature: 1.050000
Total energy: -873.067732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -873.067732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -873.067732 (E_RNA)
where:
Base-Base interactions energy: -559.921
where: short stacking energy: -247.444
Base-Backbone interact. energy: -2.731
local terms energy: -310.415903
where:
bonds (distance) C4'-P energy: -62.277
bonds (distance) P-C4' energy: -62.219
flat angles C4'-P-C4' energy: -73.630
flat angles P-C4'-P energy: -44.520
tors. eta vs tors. theta energy: -67.770
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 157
Temperature: 1.100000
Total energy: -664.630658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -664.630658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -664.630658 (E_RNA)
where:
Base-Base interactions energy: -391.852
where: short stacking energy: -192.737
Base-Backbone interact. energy: 1.801
local terms energy: -274.580464
where:
bonds (distance) C4'-P energy: -65.839
bonds (distance) P-C4' energy: -65.301
flat angles C4'-P-C4' energy: -65.862
flat angles P-C4'-P energy: -38.596
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: 6, replica: 2
=====================================
Write number: 157
Temperature: 1.150000
Total energy: -524.100176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.100176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.100176 (E_RNA)
where:
Base-Base interactions energy: -302.459
where: short stacking energy: -153.558
Base-Backbone interact. energy: 2.831
local terms energy: -224.471459
where:
bonds (distance) C4'-P energy: -59.844
bonds (distance) P-C4' energy: -59.892
flat angles C4'-P-C4' energy: -53.548
flat angles P-C4'-P energy: -28.926
tors. eta vs tors. theta energy: -22.262
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: 7
=====================================
Write number: 157
Temperature: 1.200000
Total energy: -323.190991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.190991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.190991 (E_RNA)
where:
Base-Base interactions energy: -117.918
where: short stacking energy: -103.196
Base-Backbone interact. energy: 0.662
local terms energy: -205.934778
where:
bonds (distance) C4'-P energy: -67.493
bonds (distance) P-C4' energy: -60.542
flat angles C4'-P-C4' energy: -47.848
flat angles P-C4'-P energy: -33.420
tors. eta vs tors. theta energy: 3.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 157
Temperature: 1.250000
Total energy: -425.540678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -425.540678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -425.540678 (E_RNA)
where:
Base-Base interactions energy: -215.381
where: short stacking energy: -104.364
Base-Backbone interact. energy: -1.401
local terms energy: -208.758818
where:
bonds (distance) C4'-P energy: -59.052
bonds (distance) P-C4' energy: -59.290
flat angles C4'-P-C4' energy: -55.275
flat angles P-C4'-P energy: -33.372
tors. eta vs tors. theta energy: -1.770
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: 9, replica: 9
=====================================
Write number: 157
Temperature: 1.300000
Total energy: -290.884413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.884413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.884413 (E_RNA)
where:
Base-Base interactions energy: -114.483
where: short stacking energy: -100.540
Base-Backbone interact. energy: -0.190
local terms energy: -176.211145
where:
bonds (distance) C4'-P energy: -47.823
bonds (distance) P-C4' energy: -64.009
flat angles C4'-P-C4' energy: -45.297
flat angles P-C4'-P energy: -22.890
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: 157
Temperature: 1.350000
Total energy: -276.109915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.109915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.109915 (E_RNA)
where:
Base-Base interactions energy: -122.715
where: short stacking energy: -73.105
Base-Backbone interact. energy: 1.344
local terms energy: -154.738963
where:
bonds (distance) C4'-P energy: -45.279
bonds (distance) P-C4' energy: -65.225
flat angles C4'-P-C4' energy: -41.806
flat angles P-C4'-P energy: -14.044
tors. eta vs tors. theta energy: 11.615
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 158
Temperature: 0.900000
Total energy: -1112.951765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1112.951765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1112.951765 (E_RNA)
where:
Base-Base interactions energy: -738.281
where: short stacking energy: -331.836
Base-Backbone interact. energy: -0.092
local terms energy: -374.579088
where:
bonds (distance) C4'-P energy: -63.060
bonds (distance) P-C4' energy: -69.107
flat angles C4'-P-C4' energy: -80.976
flat angles P-C4'-P energy: -46.143
tors. eta vs tors. theta energy: -115.293
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: 158
Temperature: 0.950000
Total energy: -1046.384247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1046.384247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1046.384247 (E_RNA)
where:
Base-Base interactions energy: -672.369
where: short stacking energy: -323.888
Base-Backbone interact. energy: -0.610
local terms energy: -373.404987
where:
bonds (distance) C4'-P energy: -68.322
bonds (distance) P-C4' energy: -68.196
flat angles C4'-P-C4' energy: -84.346
flat angles P-C4'-P energy: -50.420
tors. eta vs tors. theta energy: -102.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 158
Temperature: 1.000000
Total energy: -896.446214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -896.446214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -896.446214 (E_RNA)
where:
Base-Base interactions energy: -568.265
where: short stacking energy: -275.486
Base-Backbone interact. energy: -1.729
local terms energy: -326.453092
where:
bonds (distance) C4'-P energy: -63.316
bonds (distance) P-C4' energy: -76.183
flat angles C4'-P-C4' energy: -65.582
flat angles P-C4'-P energy: -48.336
tors. eta vs tors. theta energy: -73.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 158
Temperature: 1.050000
Total energy: -890.938843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -890.938843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -890.938843 (E_RNA)
where:
Base-Base interactions energy: -565.774
where: short stacking energy: -287.807
Base-Backbone interact. energy: -0.503
local terms energy: -324.661665
where:
bonds (distance) C4'-P energy: -66.209
bonds (distance) P-C4' energy: -70.981
flat angles C4'-P-C4' energy: -61.728
flat angles P-C4'-P energy: -40.792
tors. eta vs tors. theta energy: -84.952
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: 6
=====================================
Write number: 158
Temperature: 1.100000
Total energy: -572.383367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -572.383367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -572.383367 (E_RNA)
where:
Base-Base interactions energy: -303.433
where: short stacking energy: -148.010
Base-Backbone interact. energy: -1.991
local terms energy: -266.960047
where:
bonds (distance) C4'-P energy: -63.858
bonds (distance) P-C4' energy: -74.010
flat angles C4'-P-C4' energy: -65.552
flat angles P-C4'-P energy: -37.505
tors. eta vs tors. theta energy: -26.036
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: 2
=====================================
Write number: 158
Temperature: 1.150000
Total energy: -510.123379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.123379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.123379 (E_RNA)
where:
Base-Base interactions energy: -265.120
where: short stacking energy: -148.119
Base-Backbone interact. energy: 0.275
local terms energy: -245.278013
where:
bonds (distance) C4'-P energy: -64.651
bonds (distance) P-C4' energy: -56.926
flat angles C4'-P-C4' energy: -48.882
flat angles P-C4'-P energy: -44.156
tors. eta vs tors. theta energy: -30.662
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 158
Temperature: 1.200000
Total energy: -425.108057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -425.108057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -425.108057 (E_RNA)
where:
Base-Base interactions energy: -205.668
where: short stacking energy: -117.851
Base-Backbone interact. energy: -0.992
local terms energy: -218.448423
where:
bonds (distance) C4'-P energy: -52.555
bonds (distance) P-C4' energy: -58.900
flat angles C4'-P-C4' energy: -63.648
flat angles P-C4'-P energy: -32.381
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: 7
=====================================
Write number: 158
Temperature: 1.250000
Total energy: -307.759831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.759831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.759831 (E_RNA)
where:
Base-Base interactions energy: -110.963
where: short stacking energy: -92.606
Base-Backbone interact. energy: -0.678
local terms energy: -196.118096
where:
bonds (distance) C4'-P energy: -55.353
bonds (distance) P-C4' energy: -62.116
flat angles C4'-P-C4' energy: -56.201
flat angles P-C4'-P energy: -34.228
tors. eta vs tors. theta energy: 11.780
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: 8
=====================================
Write number: 158
Temperature: 1.300000
Total energy: -292.571598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.571598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.571598 (E_RNA)
where:
Base-Base interactions energy: -80.556
where: short stacking energy: -62.095
Base-Backbone interact. energy: -0.777
local terms energy: -211.239109
where:
bonds (distance) C4'-P energy: -65.620
bonds (distance) P-C4' energy: -63.058
flat angles C4'-P-C4' energy: -59.666
flat angles P-C4'-P energy: -34.205
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: 10, replica: 9
=====================================
Write number: 158
Temperature: 1.350000
Total energy: -276.263892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.263892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.263892 (E_RNA)
where:
Base-Base interactions energy: -106.779
where: short stacking energy: -79.878
Base-Backbone interact. energy: 3.707
local terms energy: -173.191515
where:
bonds (distance) C4'-P energy: -54.406
bonds (distance) P-C4' energy: -67.848
flat angles C4'-P-C4' energy: -38.212
flat angles P-C4'-P energy: -30.721
tors. eta vs tors. theta energy: 17.995
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 159
Temperature: 0.900000
Total energy: -1092.915676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1092.915676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1092.915676 (E_RNA)
where:
Base-Base interactions energy: -709.919
where: short stacking energy: -314.953
Base-Backbone interact. energy: 0.042
local terms energy: -383.038889
where:
bonds (distance) C4'-P energy: -69.636
bonds (distance) P-C4' energy: -74.293
flat angles C4'-P-C4' energy: -78.866
flat angles P-C4'-P energy: -47.150
tors. eta vs tors. theta energy: -113.094
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: 1
=====================================
Write number: 159
Temperature: 0.950000
Total energy: -1036.585564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1036.585564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1036.585564 (E_RNA)
where:
Base-Base interactions energy: -674.439
where: short stacking energy: -328.779
Base-Backbone interact. energy: -0.116
local terms energy: -362.030264
where:
bonds (distance) C4'-P energy: -68.627
bonds (distance) P-C4' energy: -74.633
flat angles C4'-P-C4' energy: -76.923
flat angles P-C4'-P energy: -41.380
tors. eta vs tors. theta energy: -100.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 159
Temperature: 1.000000
Total energy: -897.540407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -897.540407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -897.540407 (E_RNA)
where:
Base-Base interactions energy: -590.751
where: short stacking energy: -259.046
Base-Backbone interact. energy: -2.037
local terms energy: -304.752496
where:
bonds (distance) C4'-P energy: -60.255
bonds (distance) P-C4' energy: -68.981
flat angles C4'-P-C4' energy: -62.159
flat angles P-C4'-P energy: -34.331
tors. eta vs tors. theta energy: -79.026
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: 4, replica: 5
=====================================
Write number: 159
Temperature: 1.050000
Total energy: -849.504082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -849.504082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -849.504082 (E_RNA)
where:
Base-Base interactions energy: -556.568
where: short stacking energy: -279.379
Base-Backbone interact. energy: -3.291
local terms energy: -289.644990
where:
bonds (distance) C4'-P energy: -59.577
bonds (distance) P-C4' energy: -45.441
flat angles C4'-P-C4' energy: -56.319
flat angles P-C4'-P energy: -44.529
tors. eta vs tors. theta energy: -83.779
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: 6
=====================================
Write number: 159
Temperature: 1.100000
Total energy: -579.800641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -579.800641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -579.800641 (E_RNA)
where:
Base-Base interactions energy: -321.540
where: short stacking energy: -173.234
Base-Backbone interact. energy: -0.535
local terms energy: -257.725428
where:
bonds (distance) C4'-P energy: -62.776
bonds (distance) P-C4' energy: -69.340
flat angles C4'-P-C4' energy: -56.969
flat angles P-C4'-P energy: -41.646
tors. eta vs tors. theta energy: -26.994
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 159
Temperature: 1.150000
Total energy: -592.242469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -592.242469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -592.242469 (E_RNA)
where:
Base-Base interactions energy: -321.070
where: short stacking energy: -167.525
Base-Backbone interact. energy: -2.856
local terms energy: -268.315796
where:
bonds (distance) C4'-P energy: -62.826
bonds (distance) P-C4' energy: -67.916
flat angles C4'-P-C4' energy: -64.511
flat angles P-C4'-P energy: -37.107
tors. eta vs tors. theta energy: -35.955
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 159
Temperature: 1.200000
Total energy: -428.373045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -428.373045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -428.373045 (E_RNA)
where:
Base-Base interactions energy: -212.148
where: short stacking energy: -127.560
Base-Backbone interact. energy: 0.381
local terms energy: -216.605958
where:
bonds (distance) C4'-P energy: -56.920
bonds (distance) P-C4' energy: -64.662
flat angles C4'-P-C4' energy: -64.199
flat angles P-C4'-P energy: -17.776
tors. eta vs tors. theta energy: -13.050
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: 8, replica: 8
=====================================
Write number: 159
Temperature: 1.250000
Total energy: -326.683012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.683012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.683012 (E_RNA)
where:
Base-Base interactions energy: -107.878
where: short stacking energy: -91.786
Base-Backbone interact. energy: -2.702
local terms energy: -216.102747
where:
bonds (distance) C4'-P energy: -62.955
bonds (distance) P-C4' energy: -68.864
flat angles C4'-P-C4' energy: -43.417
flat angles P-C4'-P energy: -32.726
tors. eta vs tors. theta energy: -8.140
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: 7
=====================================
Write number: 159
Temperature: 1.300000
Total energy: -302.290334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.290334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.290334 (E_RNA)
where:
Base-Base interactions energy: -116.722
where: short stacking energy: -80.286
Base-Backbone interact. energy: 5.511
local terms energy: -191.079774
where:
bonds (distance) C4'-P energy: -54.276
bonds (distance) P-C4' energy: -66.013
flat angles C4'-P-C4' energy: -54.112
flat angles P-C4'-P energy: -12.255
tors. eta vs tors. theta energy: -4.424
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 159
Temperature: 1.350000
Total energy: -263.338880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.338880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.338880 (E_RNA)
where:
Base-Base interactions energy: -88.078
where: short stacking energy: -57.720
Base-Backbone interact. energy: -1.565
local terms energy: -173.696545
where:
bonds (distance) C4'-P energy: -51.819
bonds (distance) P-C4' energy: -56.054
flat angles C4'-P-C4' energy: -52.719
flat angles P-C4'-P energy: -25.382
tors. eta vs tors. theta energy: 12.277
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: 4
=====================================
Write number: 160
Temperature: 0.900000
Total energy: -1091.159114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1091.159114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1091.159114 (E_RNA)
where:
Base-Base interactions energy: -716.553
where: short stacking energy: -328.676
Base-Backbone interact. energy: -2.596
local terms energy: -372.010138
where:
bonds (distance) C4'-P energy: -72.780
bonds (distance) P-C4' energy: -66.010
flat angles C4'-P-C4' energy: -72.053
flat angles P-C4'-P energy: -50.392
tors. eta vs tors. theta energy: -110.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 160
Temperature: 0.950000
Total energy: -1063.758844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1063.758844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1063.758844 (E_RNA)
where:
Base-Base interactions energy: -700.123
where: short stacking energy: -316.518
Base-Backbone interact. energy: -1.357
local terms energy: -362.278692
where:
bonds (distance) C4'-P energy: -66.093
bonds (distance) P-C4' energy: -62.025
flat angles C4'-P-C4' energy: -80.197
flat angles P-C4'-P energy: -47.121
tors. eta vs tors. theta energy: -106.844
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: 3, replica: 5
=====================================
Write number: 160
Temperature: 1.000000
Total energy: -892.921140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -892.921140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -892.921140 (E_RNA)
where:
Base-Base interactions energy: -579.677
where: short stacking energy: -260.028
Base-Backbone interact. energy: -1.577
local terms energy: -311.667005
where:
bonds (distance) C4'-P energy: -58.849
bonds (distance) P-C4' energy: -67.293
flat angles C4'-P-C4' energy: -77.067
flat angles P-C4'-P energy: -42.306
tors. eta vs tors. theta energy: -66.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 160
Temperature: 1.050000
Total energy: -855.780023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -855.780023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -855.780023 (E_RNA)
where:
Base-Base interactions energy: -543.439
where: short stacking energy: -268.339
Base-Backbone interact. energy: -3.337
local terms energy: -309.004461
where:
bonds (distance) C4'-P energy: -62.582
bonds (distance) P-C4' energy: -66.804
flat angles C4'-P-C4' energy: -71.380
flat angles P-C4'-P energy: -27.409
tors. eta vs tors. theta energy: -80.829
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 160
Temperature: 1.100000
Total energy: -601.975701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -601.975701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -601.975701 (E_RNA)
where:
Base-Base interactions energy: -362.907
where: short stacking energy: -173.772
Base-Backbone interact. energy: 0.753
local terms energy: -239.822431
where:
bonds (distance) C4'-P energy: -59.225
bonds (distance) P-C4' energy: -66.538
flat angles C4'-P-C4' energy: -54.818
flat angles P-C4'-P energy: -36.442
tors. eta vs tors. theta energy: -22.799
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 160
Temperature: 1.150000
Total energy: -556.825095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.825095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -556.825095 (E_RNA)
where:
Base-Base interactions energy: -311.113
where: short stacking energy: -170.401
Base-Backbone interact. energy: 0.808
local terms energy: -246.520440
where:
bonds (distance) C4'-P energy: -51.006
bonds (distance) P-C4' energy: -66.522
flat angles C4'-P-C4' energy: -67.757
flat angles P-C4'-P energy: -38.011
tors. eta vs tors. theta energy: -23.225
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 160
Temperature: 1.200000
Total energy: -490.530764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.530764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.530764 (E_RNA)
where:
Base-Base interactions energy: -239.775
where: short stacking energy: -125.263
Base-Backbone interact. energy: -1.819
local terms energy: -248.937523
where:
bonds (distance) C4'-P energy: -65.721
bonds (distance) P-C4' energy: -63.425
flat angles C4'-P-C4' energy: -66.776
flat angles P-C4'-P energy: -31.736
tors. eta vs tors. theta energy: -21.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 160
Temperature: 1.250000
Total energy: -327.190147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.190147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.190147 (E_RNA)
where:
Base-Base interactions energy: -115.553
where: short stacking energy: -82.810
Base-Backbone interact. energy: -3.630
local terms energy: -208.006305
where:
bonds (distance) C4'-P energy: -63.805
bonds (distance) P-C4' energy: -59.313
flat angles C4'-P-C4' energy: -48.269
flat angles P-C4'-P energy: -36.383
tors. eta vs tors. theta energy: -0.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 160
Temperature: 1.300000
Total energy: -309.049866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.049866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.049866 (E_RNA)
where:
Base-Base interactions energy: -95.195
where: short stacking energy: -70.027
Base-Backbone interact. energy: 9.473
local terms energy: -223.328199
where:
bonds (distance) C4'-P energy: -62.503
bonds (distance) P-C4' energy: -65.461
flat angles C4'-P-C4' energy: -51.354
flat angles P-C4'-P energy: -42.065
tors. eta vs tors. theta energy: -1.945
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 160
Temperature: 1.350000
Total energy: -265.561446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.561446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.561446 (E_RNA)
where:
Base-Base interactions energy: -77.954
where: short stacking energy: -65.907
Base-Backbone interact. energy: 2.218
local terms energy: -189.826112
where:
bonds (distance) C4'-P energy: -54.687
bonds (distance) P-C4' energy: -63.296
flat angles C4'-P-C4' energy: -61.814
flat angles P-C4'-P energy: -20.586
tors. eta vs tors. theta energy: 10.557
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 161
Temperature: 0.900000
Total energy: -1073.007299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1073.007299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1073.007299 (E_RNA)
where:
Base-Base interactions energy: -707.582
where: short stacking energy: -319.641
Base-Backbone interact. energy: -0.055
local terms energy: -365.370887
where:
bonds (distance) C4'-P energy: -72.044
bonds (distance) P-C4' energy: -66.203
flat angles C4'-P-C4' energy: -75.939
flat angles P-C4'-P energy: -42.368
tors. eta vs tors. theta energy: -108.817
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 161
Temperature: 0.950000
Total energy: -1056.048651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1056.048651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1056.048651 (E_RNA)
where:
Base-Base interactions energy: -700.540
where: short stacking energy: -319.781
Base-Backbone interact. energy: -1.717
local terms energy: -353.792462
where:
bonds (distance) C4'-P energy: -56.408
bonds (distance) P-C4' energy: -70.318
flat angles C4'-P-C4' energy: -80.880
flat angles P-C4'-P energy: -50.972
tors. eta vs tors. theta energy: -95.214
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: 161
Temperature: 1.000000
Total energy: -893.610297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -893.610297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -893.610297 (E_RNA)
where:
Base-Base interactions energy: -566.125
where: short stacking energy: -266.649
Base-Backbone interact. energy: -1.733
local terms energy: -325.752576
where:
bonds (distance) C4'-P energy: -65.558
bonds (distance) P-C4' energy: -66.279
flat angles C4'-P-C4' energy: -75.642
flat angles P-C4'-P energy: -35.424
tors. eta vs tors. theta energy: -82.850
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: 3
=====================================
Write number: 161
Temperature: 1.050000
Total energy: -832.402082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -832.402082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -832.402082 (E_RNA)
where:
Base-Base interactions energy: -532.727
where: short stacking energy: -244.717
Base-Backbone interact. energy: -0.914
local terms energy: -298.760527
where:
bonds (distance) C4'-P energy: -55.444
bonds (distance) P-C4' energy: -63.790
flat angles C4'-P-C4' energy: -74.782
flat angles P-C4'-P energy: -36.381
tors. eta vs tors. theta energy: -68.364
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: 6
=====================================
Write number: 161
Temperature: 1.100000
Total energy: -601.183326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -601.183326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -601.183326 (E_RNA)
where:
Base-Base interactions energy: -354.303
where: short stacking energy: -170.640
Base-Backbone interact. energy: -1.541
local terms energy: -245.339899
where:
bonds (distance) C4'-P energy: -53.654
bonds (distance) P-C4' energy: -63.306
flat angles C4'-P-C4' energy: -56.750
flat angles P-C4'-P energy: -39.359
tors. eta vs tors. theta energy: -32.271
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: 6, replica: 2
=====================================
Write number: 161
Temperature: 1.150000
Total energy: -557.709321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -557.709321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -557.709321 (E_RNA)
where:
Base-Base interactions energy: -287.751
where: short stacking energy: -166.836
Base-Backbone interact. energy: -0.091
local terms energy: -269.867562
where:
bonds (distance) C4'-P energy: -63.826
bonds (distance) P-C4' energy: -67.580
flat angles C4'-P-C4' energy: -68.535
flat angles P-C4'-P energy: -32.734
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: 10
=====================================
Write number: 161
Temperature: 1.200000
Total energy: -469.963702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -469.963702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -469.963702 (E_RNA)
where:
Base-Base interactions energy: -254.777
where: short stacking energy: -126.989
Base-Backbone interact. energy: -1.780
local terms energy: -213.406979
where:
bonds (distance) C4'-P energy: -51.923
bonds (distance) P-C4' energy: -64.981
flat angles C4'-P-C4' energy: -63.798
flat angles P-C4'-P energy: -20.677
tors. eta vs tors. theta energy: -12.028
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 161
Temperature: 1.250000
Total energy: -319.316152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.316152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.316152 (E_RNA)
where:
Base-Base interactions energy: -114.440
where: short stacking energy: -89.565
Base-Backbone interact. energy: 1.476
local terms energy: -206.351726
where:
bonds (distance) C4'-P energy: -57.987
bonds (distance) P-C4' energy: -58.614
flat angles C4'-P-C4' energy: -44.576
flat angles P-C4'-P energy: -39.872
tors. eta vs tors. theta energy: -5.303
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 161
Temperature: 1.300000
Total energy: -281.053618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.053618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.053618 (E_RNA)
where:
Base-Base interactions energy: -112.139
where: short stacking energy: -58.709
Base-Backbone interact. energy: 3.608
local terms energy: -172.521953
where:
bonds (distance) C4'-P energy: -58.599
bonds (distance) P-C4' energy: -59.650
flat angles C4'-P-C4' energy: -48.006
flat angles P-C4'-P energy: -28.491
tors. eta vs tors. theta energy: 22.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 161
Temperature: 1.350000
Total energy: -270.130311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.130311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.130311 (E_RNA)
where:
Base-Base interactions energy: -66.454
where: short stacking energy: -56.811
Base-Backbone interact. energy: 0.581
local terms energy: -204.257440
where:
bonds (distance) C4'-P energy: -58.785
bonds (distance) P-C4' energy: -65.359
flat angles C4'-P-C4' energy: -45.207
flat angles P-C4'-P energy: -44.290
tors. eta vs tors. theta energy: 9.383
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: 4
=====================================
Write number: 162
Temperature: 0.900000
Total energy: -1089.850190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1089.850190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1089.850190 (E_RNA)
where:
Base-Base interactions energy: -726.474
where: short stacking energy: -330.011
Base-Backbone interact. energy: -0.626
local terms energy: -362.750504
where:
bonds (distance) C4'-P energy: -59.253
bonds (distance) P-C4' energy: -54.294
flat angles C4'-P-C4' energy: -77.275
flat angles P-C4'-P energy: -54.180
tors. eta vs tors. theta energy: -117.748
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 162
Temperature: 0.950000
Total energy: -1045.074985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1045.074985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1045.074985 (E_RNA)
where:
Base-Base interactions energy: -685.789
where: short stacking energy: -310.316
Base-Backbone interact. energy: 2.001
local terms energy: -361.287075
where:
bonds (distance) C4'-P energy: -69.467
bonds (distance) P-C4' energy: -68.114
flat angles C4'-P-C4' energy: -79.761
flat angles P-C4'-P energy: -47.461
tors. eta vs tors. theta energy: -96.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 162
Temperature: 1.000000
Total energy: -891.934899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -891.934899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -891.934899 (E_RNA)
where:
Base-Base interactions energy: -577.844
where: short stacking energy: -270.550
Base-Backbone interact. energy: -0.802
local terms energy: -313.288158
where:
bonds (distance) C4'-P energy: -58.793
bonds (distance) P-C4' energy: -54.211
flat angles C4'-P-C4' energy: -73.042
flat angles P-C4'-P energy: -40.551
tors. eta vs tors. theta energy: -86.691
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 162
Temperature: 1.050000
Total energy: -842.256269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -842.256269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -842.256269 (E_RNA)
where:
Base-Base interactions energy: -532.098
where: short stacking energy: -241.791
Base-Backbone interact. energy: -1.703
local terms energy: -308.455730
where:
bonds (distance) C4'-P energy: -70.374
bonds (distance) P-C4' energy: -60.800
flat angles C4'-P-C4' energy: -66.813
flat angles P-C4'-P energy: -41.895
tors. eta vs tors. theta energy: -68.573
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 162
Temperature: 1.100000
Total energy: -645.568230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -645.568230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -645.568230 (E_RNA)
where:
Base-Base interactions energy: -369.547
where: short stacking energy: -165.045
Base-Backbone interact. energy: -3.379
local terms energy: -272.642859
where:
bonds (distance) C4'-P energy: -64.285
bonds (distance) P-C4' energy: -61.331
flat angles C4'-P-C4' energy: -58.401
flat angles P-C4'-P energy: -41.163
tors. eta vs tors. theta energy: -47.462
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: 2
=====================================
Write number: 162
Temperature: 1.150000
Total energy: -526.335259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.335259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.335259 (E_RNA)
where:
Base-Base interactions energy: -287.380
where: short stacking energy: -151.058
Base-Backbone interact. energy: 0.008
local terms energy: -238.963688
where:
bonds (distance) C4'-P energy: -57.275
bonds (distance) P-C4' energy: -65.753
flat angles C4'-P-C4' energy: -67.147
flat angles P-C4'-P energy: -35.545
tors. eta vs tors. theta energy: -13.244
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: 10
=====================================
Write number: 162
Temperature: 1.200000
Total energy: -447.101044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -447.101044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -447.101044 (E_RNA)
where:
Base-Base interactions energy: -233.232
where: short stacking energy: -104.930
Base-Backbone interact. energy: -0.803
local terms energy: -213.066700
where:
bonds (distance) C4'-P energy: -55.146
bonds (distance) P-C4' energy: -63.009
flat angles C4'-P-C4' energy: -55.048
flat angles P-C4'-P energy: -37.604
tors. eta vs tors. theta energy: -2.260
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: 8
=====================================
Write number: 162
Temperature: 1.250000
Total energy: -319.102969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.102969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.102969 (E_RNA)
where:
Base-Base interactions energy: -109.268
where: short stacking energy: -88.350
Base-Backbone interact. energy: -0.478
local terms energy: -209.357287
where:
bonds (distance) C4'-P energy: -61.021
bonds (distance) P-C4' energy: -67.422
flat angles C4'-P-C4' energy: -50.895
flat angles P-C4'-P energy: -31.735
tors. eta vs tors. theta energy: 1.716
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: 9, replica: 9
=====================================
Write number: 162
Temperature: 1.300000
Total energy: -313.155359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.155359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.155359 (E_RNA)
where:
Base-Base interactions energy: -122.310
where: short stacking energy: -79.151
Base-Backbone interact. energy: 3.226
local terms energy: -194.071456
where:
bonds (distance) C4'-P energy: -61.240
bonds (distance) P-C4' energy: -70.527
flat angles C4'-P-C4' energy: -46.733
flat angles P-C4'-P energy: -34.628
tors. eta vs tors. theta energy: 19.056
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 162
Temperature: 1.350000
Total energy: -260.955282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.955282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.955282 (E_RNA)
where:
Base-Base interactions energy: -104.491
where: short stacking energy: -75.949
Base-Backbone interact. energy: 3.969
local terms energy: -160.433908
where:
bonds (distance) C4'-P energy: -49.709
bonds (distance) P-C4' energy: -59.523
flat angles C4'-P-C4' energy: -46.441
flat angles P-C4'-P energy: -21.018
tors. eta vs tors. theta energy: 16.257
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 163
Temperature: 0.900000
Total energy: -1099.645471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1099.645471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1099.645471 (E_RNA)
where:
Base-Base interactions energy: -719.918
where: short stacking energy: -323.109
Base-Backbone interact. energy: -1.413
local terms energy: -378.314829
where:
bonds (distance) C4'-P energy: -68.964
bonds (distance) P-C4' energy: -72.843
flat angles C4'-P-C4' energy: -79.771
flat angles P-C4'-P energy: -50.035
tors. eta vs tors. theta energy: -106.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 163
Temperature: 0.950000
Total energy: -1062.052000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1062.052000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1062.052000 (E_RNA)
where:
Base-Base interactions energy: -700.213
where: short stacking energy: -321.110
Base-Backbone interact. energy: -0.603
local terms energy: -361.236650
where:
bonds (distance) C4'-P energy: -66.617
bonds (distance) P-C4' energy: -71.910
flat angles C4'-P-C4' energy: -73.237
flat angles P-C4'-P energy: -44.994
tors. eta vs tors. theta energy: -104.478
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: 5
=====================================
Write number: 163
Temperature: 1.000000
Total energy: -919.042943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -919.042943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -919.042943 (E_RNA)
where:
Base-Base interactions energy: -579.454
where: short stacking energy: -283.463
Base-Backbone interact. energy: -2.065
local terms energy: -337.524225
where:
bonds (distance) C4'-P energy: -75.513
bonds (distance) P-C4' energy: -60.933
flat angles C4'-P-C4' energy: -65.940
flat angles P-C4'-P energy: -48.548
tors. eta vs tors. theta energy: -86.589
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 163
Temperature: 1.050000
Total energy: -851.365448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -851.365448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -851.365448 (E_RNA)
where:
Base-Base interactions energy: -539.990
where: short stacking energy: -253.554
Base-Backbone interact. energy: -0.862
local terms energy: -310.513059
where:
bonds (distance) C4'-P energy: -70.496
bonds (distance) P-C4' energy: -60.976
flat angles C4'-P-C4' energy: -67.225
flat angles P-C4'-P energy: -40.161
tors. eta vs tors. theta energy: -71.655
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: 5, replica: 6
=====================================
Write number: 163
Temperature: 1.100000
Total energy: -639.440874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -639.440874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -639.440874 (E_RNA)
where:
Base-Base interactions energy: -366.208
where: short stacking energy: -180.600
Base-Backbone interact. energy: 2.517
local terms energy: -275.749637
where:
bonds (distance) C4'-P energy: -63.614
bonds (distance) P-C4' energy: -65.236
flat angles C4'-P-C4' energy: -62.194
flat angles P-C4'-P energy: -37.221
tors. eta vs tors. theta energy: -47.486
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 163
Temperature: 1.150000
Total energy: -570.547538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -570.547538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -570.547538 (E_RNA)
where:
Base-Base interactions energy: -319.435
where: short stacking energy: -165.644
Base-Backbone interact. energy: 2.049
local terms energy: -253.160814
where:
bonds (distance) C4'-P energy: -50.107
bonds (distance) P-C4' energy: -65.800
flat angles C4'-P-C4' energy: -64.510
flat angles P-C4'-P energy: -37.859
tors. eta vs tors. theta energy: -34.885
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: 163
Temperature: 1.200000
Total energy: -457.251943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -457.251943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -457.251943 (E_RNA)
where:
Base-Base interactions energy: -228.146
where: short stacking energy: -115.232
Base-Backbone interact. energy: -1.151
local terms energy: -227.955394
where:
bonds (distance) C4'-P energy: -53.426
bonds (distance) P-C4' energy: -58.877
flat angles C4'-P-C4' energy: -54.546
flat angles P-C4'-P energy: -41.699
tors. eta vs tors. theta energy: -19.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 163
Temperature: 1.250000
Total energy: -323.459831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.459831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.459831 (E_RNA)
where:
Base-Base interactions energy: -122.731
where: short stacking energy: -82.779
Base-Backbone interact. energy: -1.586
local terms energy: -199.142842
where:
bonds (distance) C4'-P energy: -52.860
bonds (distance) P-C4' energy: -64.824
flat angles C4'-P-C4' energy: -48.520
flat angles P-C4'-P energy: -37.277
tors. eta vs tors. theta energy: 4.338
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 163
Temperature: 1.300000
Total energy: -304.894512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.894512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.894512 (E_RNA)
where:
Base-Base interactions energy: -108.772
where: short stacking energy: -78.647
Base-Backbone interact. energy: -1.773
local terms energy: -194.349258
where:
bonds (distance) C4'-P energy: -49.160
bonds (distance) P-C4' energy: -68.176
flat angles C4'-P-C4' energy: -45.877
flat angles P-C4'-P energy: -34.492
tors. eta vs tors. theta energy: 3.356
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 163
Temperature: 1.350000
Total energy: -268.310039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.310039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.310039 (E_RNA)
where:
Base-Base interactions energy: -74.889
where: short stacking energy: -63.147
Base-Backbone interact. energy: 1.290
local terms energy: -194.711914
where:
bonds (distance) C4'-P energy: -55.895
bonds (distance) P-C4' energy: -61.180
flat angles C4'-P-C4' energy: -52.142
flat angles P-C4'-P energy: -34.927
tors. eta vs tors. theta energy: 9.432
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 164
Temperature: 0.900000
Total energy: -1098.709499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1098.709499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1098.709499 (E_RNA)
where:
Base-Base interactions energy: -733.125
where: short stacking energy: -334.291
Base-Backbone interact. energy: 0.166
local terms energy: -365.750611
where:
bonds (distance) C4'-P energy: -60.377
bonds (distance) P-C4' energy: -74.336
flat angles C4'-P-C4' energy: -74.088
flat angles P-C4'-P energy: -48.343
tors. eta vs tors. theta energy: -108.607
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 164
Temperature: 0.950000
Total energy: -1060.021799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1060.021799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1060.021799 (E_RNA)
where:
Base-Base interactions energy: -700.099
where: short stacking energy: -309.875
Base-Backbone interact. energy: -2.688
local terms energy: -357.234861
where:
bonds (distance) C4'-P energy: -62.695
bonds (distance) P-C4' energy: -73.168
flat angles C4'-P-C4' energy: -78.610
flat angles P-C4'-P energy: -34.548
tors. eta vs tors. theta energy: -108.213
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 164
Temperature: 1.000000
Total energy: -904.726248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -904.726248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -904.726248 (E_RNA)
where:
Base-Base interactions energy: -566.628
where: short stacking energy: -298.012
Base-Backbone interact. energy: -3.359
local terms energy: -334.739344
where:
bonds (distance) C4'-P energy: -71.932
bonds (distance) P-C4' energy: -62.233
flat angles C4'-P-C4' energy: -68.715
flat angles P-C4'-P energy: -38.700
tors. eta vs tors. theta energy: -93.159
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: 3
=====================================
Write number: 164
Temperature: 1.050000
Total energy: -802.856633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -802.856633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -802.856633 (E_RNA)
where:
Base-Base interactions energy: -502.235
where: short stacking energy: -224.131
Base-Backbone interact. energy: -0.267
local terms energy: -300.354781
where:
bonds (distance) C4'-P energy: -63.449
bonds (distance) P-C4' energy: -65.934
flat angles C4'-P-C4' energy: -71.040
flat angles P-C4'-P energy: -45.926
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: 5, replica: 2
=====================================
Write number: 164
Temperature: 1.100000
Total energy: -559.632647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -559.632647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -559.632647 (E_RNA)
where:
Base-Base interactions energy: -304.140
where: short stacking energy: -172.136
Base-Backbone interact. energy: 0.876
local terms energy: -256.368568
where:
bonds (distance) C4'-P energy: -68.496
bonds (distance) P-C4' energy: -64.287
flat angles C4'-P-C4' energy: -54.787
flat angles P-C4'-P energy: -27.890
tors. eta vs tors. theta energy: -40.909
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: 6
=====================================
Write number: 164
Temperature: 1.150000
Total energy: -618.253807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -618.253807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -618.253807 (E_RNA)
where:
Base-Base interactions energy: -345.579
where: short stacking energy: -186.801
Base-Backbone interact. energy: -1.251
local terms energy: -271.423748
where:
bonds (distance) C4'-P energy: -63.830
bonds (distance) P-C4' energy: -58.702
flat angles C4'-P-C4' energy: -67.951
flat angles P-C4'-P energy: -36.806
tors. eta vs tors. theta energy: -44.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 164
Temperature: 1.200000
Total energy: -462.978372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.978372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -462.978372 (E_RNA)
where:
Base-Base interactions energy: -223.058
where: short stacking energy: -116.789
Base-Backbone interact. energy: -0.451
local terms energy: -239.470212
where:
bonds (distance) C4'-P energy: -57.897
bonds (distance) P-C4' energy: -68.738
flat angles C4'-P-C4' energy: -52.305
flat angles P-C4'-P energy: -37.791
tors. eta vs tors. theta energy: -22.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 164
Temperature: 1.250000
Total energy: -320.107086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.107086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.107086 (E_RNA)
where:
Base-Base interactions energy: -143.915
where: short stacking energy: -97.249
Base-Backbone interact. energy: -1.945
local terms energy: -174.246773
where:
bonds (distance) C4'-P energy: -46.462
bonds (distance) P-C4' energy: -54.062
flat angles C4'-P-C4' energy: -44.414
flat angles P-C4'-P energy: -31.187
tors. eta vs tors. theta energy: 1.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 164
Temperature: 1.300000
Total energy: -307.026014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.026014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.026014 (E_RNA)
where:
Base-Base interactions energy: -125.090
where: short stacking energy: -75.993
Base-Backbone interact. energy: -1.060
local terms energy: -180.876335
where:
bonds (distance) C4'-P energy: -46.318
bonds (distance) P-C4' energy: -70.209
flat angles C4'-P-C4' energy: -51.211
flat angles P-C4'-P energy: -18.663
tors. eta vs tors. theta energy: 5.524
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: 164
Temperature: 1.350000
Total energy: -267.284340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.284340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.284340 (E_RNA)
where:
Base-Base interactions energy: -82.954
where: short stacking energy: -68.220
Base-Backbone interact. energy: 4.169
local terms energy: -188.498784
where:
bonds (distance) C4'-P energy: -57.489
bonds (distance) P-C4' energy: -60.665
flat angles C4'-P-C4' energy: -53.656
flat angles P-C4'-P energy: -29.626
tors. eta vs tors. theta energy: 12.937
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 165
Temperature: 0.900000
Total energy: -1098.185534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1098.185534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1098.185534 (E_RNA)
where:
Base-Base interactions energy: -717.950
where: short stacking energy: -326.189
Base-Backbone interact. energy: 1.083
local terms energy: -381.318952
where:
bonds (distance) C4'-P energy: -81.078
bonds (distance) P-C4' energy: -72.883
flat angles C4'-P-C4' energy: -75.441
flat angles P-C4'-P energy: -46.015
tors. eta vs tors. theta energy: -105.903
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: 165
Temperature: 0.950000
Total energy: -1084.403400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1084.403400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1084.403400 (E_RNA)
where:
Base-Base interactions energy: -708.938
where: short stacking energy: -316.218
Base-Backbone interact. energy: -1.608
local terms energy: -373.856992
where:
bonds (distance) C4'-P energy: -76.791
bonds (distance) P-C4' energy: -73.339
flat angles C4'-P-C4' energy: -76.633
flat angles P-C4'-P energy: -46.232
tors. eta vs tors. theta energy: -100.861
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 165
Temperature: 1.000000
Total energy: -935.324065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -935.324065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -935.324065 (E_RNA)
where:
Base-Base interactions energy: -609.325
where: short stacking energy: -269.619
Base-Backbone interact. energy: -0.643
local terms energy: -325.356377
where:
bonds (distance) C4'-P energy: -62.492
bonds (distance) P-C4' energy: -60.330
flat angles C4'-P-C4' energy: -70.419
flat angles P-C4'-P energy: -44.655
tors. eta vs tors. theta energy: -87.460
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 165
Temperature: 1.050000
Total energy: -780.098891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -780.098891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -780.098891 (E_RNA)
where:
Base-Base interactions energy: -482.023
where: short stacking energy: -222.560
Base-Backbone interact. energy: -0.906
local terms energy: -297.169335
where:
bonds (distance) C4'-P energy: -69.550
bonds (distance) P-C4' energy: -69.436
flat angles C4'-P-C4' energy: -65.763
flat angles P-C4'-P energy: -48.012
tors. eta vs tors. theta energy: -44.408
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: 2
=====================================
Write number: 165
Temperature: 1.100000
Total energy: -584.162779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -584.162779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -584.162779 (E_RNA)
where:
Base-Base interactions energy: -313.440
where: short stacking energy: -170.929
Base-Backbone interact. energy: -1.249
local terms energy: -269.473617
where:
bonds (distance) C4'-P energy: -70.776
bonds (distance) P-C4' energy: -63.625
flat angles C4'-P-C4' energy: -66.726
flat angles P-C4'-P energy: -34.345
tors. eta vs tors. theta energy: -34.001
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: 6
=====================================
Write number: 165
Temperature: 1.150000
Total energy: -640.274781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -640.274781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -640.274781 (E_RNA)
where:
Base-Base interactions energy: -365.409
where: short stacking energy: -177.300
Base-Backbone interact. energy: -0.126
local terms energy: -274.739397
where:
bonds (distance) C4'-P energy: -61.307
bonds (distance) P-C4' energy: -55.235
flat angles C4'-P-C4' energy: -69.460
flat angles P-C4'-P energy: -41.872
tors. eta vs tors. theta energy: -46.866
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 165
Temperature: 1.200000
Total energy: -433.787726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -433.787726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -433.787726 (E_RNA)
where:
Base-Base interactions energy: -208.173
where: short stacking energy: -133.245
Base-Backbone interact. energy: -2.073
local terms energy: -223.541108
where:
bonds (distance) C4'-P energy: -56.913
bonds (distance) P-C4' energy: -66.295
flat angles C4'-P-C4' energy: -48.001
flat angles P-C4'-P energy: -37.875
tors. eta vs tors. theta energy: -14.458
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: 8
=====================================
Write number: 165
Temperature: 1.250000
Total energy: -309.303698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.303698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.303698 (E_RNA)
where:
Base-Base interactions energy: -131.634
where: short stacking energy: -96.508
Base-Backbone interact. energy: 0.769
local terms energy: -178.438571
where:
bonds (distance) C4'-P energy: -53.047
bonds (distance) P-C4' energy: -60.380
flat angles C4'-P-C4' energy: -52.006
flat angles P-C4'-P energy: -13.884
tors. eta vs tors. theta energy: 0.878
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: 9, replica: 9
=====================================
Write number: 165
Temperature: 1.300000
Total energy: -291.146397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.146397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.146397 (E_RNA)
where:
Base-Base interactions energy: -80.590
where: short stacking energy: -65.928
Base-Backbone interact. energy: 0.370
local terms energy: -210.926399
where:
bonds (distance) C4'-P energy: -62.805
bonds (distance) P-C4' energy: -70.014
flat angles C4'-P-C4' energy: -55.862
flat angles P-C4'-P energy: -35.320
tors. eta vs tors. theta energy: 13.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 165
Temperature: 1.350000
Total energy: -296.919077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.919077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.919077 (E_RNA)
where:
Base-Base interactions energy: -110.486
where: short stacking energy: -86.496
Base-Backbone interact. energy: -0.733
local terms energy: -185.700811
where:
bonds (distance) C4'-P energy: -54.005
bonds (distance) P-C4' energy: -63.465
flat angles C4'-P-C4' energy: -46.146
flat angles P-C4'-P energy: -33.718
tors. eta vs tors. theta energy: 11.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 166
Temperature: 0.900000
Total energy: -1123.788369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1123.788369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1123.788369 (E_RNA)
where:
Base-Base interactions energy: -750.930
where: short stacking energy: -329.529
Base-Backbone interact. energy: 2.357
local terms energy: -375.214722
where:
bonds (distance) C4'-P energy: -72.795
bonds (distance) P-C4' energy: -71.277
flat angles C4'-P-C4' energy: -83.731
flat angles P-C4'-P energy: -37.414
tors. eta vs tors. theta energy: -109.997
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: 166
Temperature: 0.950000
Total energy: -1070.144175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1070.144175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1070.144175 (E_RNA)
where:
Base-Base interactions energy: -704.579
where: short stacking energy: -304.569
Base-Backbone interact. energy: -0.809
local terms energy: -364.756451
where:
bonds (distance) C4'-P energy: -69.860
bonds (distance) P-C4' energy: -64.719
flat angles C4'-P-C4' energy: -75.147
flat angles P-C4'-P energy: -50.968
tors. eta vs tors. theta energy: -104.063
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 166
Temperature: 1.000000
Total energy: -893.124719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -893.124719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -893.124719 (E_RNA)
where:
Base-Base interactions energy: -578.511
where: short stacking energy: -269.675
Base-Backbone interact. energy: -2.173
local terms energy: -312.439996
where:
bonds (distance) C4'-P energy: -63.499
bonds (distance) P-C4' energy: -65.116
flat angles C4'-P-C4' energy: -59.008
flat angles P-C4'-P energy: -37.556
tors. eta vs tors. theta energy: -87.261
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 166
Temperature: 1.050000
Total energy: -777.594031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -777.594031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -777.594031 (E_RNA)
where:
Base-Base interactions energy: -493.248
where: short stacking energy: -226.034
Base-Backbone interact. energy: -3.539
local terms energy: -280.807046
where:
bonds (distance) C4'-P energy: -69.625
bonds (distance) P-C4' energy: -54.700
flat angles C4'-P-C4' energy: -62.708
flat angles P-C4'-P energy: -42.904
tors. eta vs tors. theta energy: -50.870
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: 6
=====================================
Write number: 166
Temperature: 1.100000
Total energy: -666.467732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -666.467732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -666.467732 (E_RNA)
where:
Base-Base interactions energy: -372.231
where: short stacking energy: -191.978
Base-Backbone interact. energy: -1.722
local terms energy: -292.515050
where:
bonds (distance) C4'-P energy: -60.031
bonds (distance) P-C4' energy: -73.815
flat angles C4'-P-C4' energy: -63.605
flat angles P-C4'-P energy: -41.734
tors. eta vs tors. theta energy: -53.330
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 166
Temperature: 1.150000
Total energy: -544.998056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.998056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.998056 (E_RNA)
where:
Base-Base interactions energy: -296.425
where: short stacking energy: -137.503
Base-Backbone interact. energy: -2.274
local terms energy: -246.299598
where:
bonds (distance) C4'-P energy: -60.169
bonds (distance) P-C4' energy: -72.993
flat angles C4'-P-C4' energy: -54.314
flat angles P-C4'-P energy: -42.545
tors. eta vs tors. theta energy: -16.278
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 166
Temperature: 1.200000
Total energy: -419.679320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.679320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.679320 (E_RNA)
where:
Base-Base interactions energy: -200.311
where: short stacking energy: -102.563
Base-Backbone interact. energy: -1.906
local terms energy: -217.462208
where:
bonds (distance) C4'-P energy: -67.257
bonds (distance) P-C4' energy: -59.845
flat angles C4'-P-C4' energy: -53.802
flat angles P-C4'-P energy: -34.741
tors. eta vs tors. theta energy: -1.817
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: 8, replica: 8
=====================================
Write number: 166
Temperature: 1.250000
Total energy: -326.526999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.526999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.526999 (E_RNA)
where:
Base-Base interactions energy: -128.472
where: short stacking energy: -95.286
Base-Backbone interact. energy: -2.718
local terms energy: -195.336713
where:
bonds (distance) C4'-P energy: -58.085
bonds (distance) P-C4' energy: -67.820
flat angles C4'-P-C4' energy: -43.421
flat angles P-C4'-P energy: -32.777
tors. eta vs tors. theta energy: 6.766
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: 9
=====================================
Write number: 166
Temperature: 1.300000
Total energy: -294.285879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.285879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.285879 (E_RNA)
where:
Base-Base interactions energy: -98.794
where: short stacking energy: -79.382
Base-Backbone interact. energy: -0.983
local terms energy: -194.508531
where:
bonds (distance) C4'-P energy: -45.926
bonds (distance) P-C4' energy: -62.904
flat angles C4'-P-C4' energy: -46.453
flat angles P-C4'-P energy: -31.345
tors. eta vs tors. theta energy: -7.880
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 166
Temperature: 1.350000
Total energy: -280.439042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.439042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.439042 (E_RNA)
where:
Base-Base interactions energy: -108.635
where: short stacking energy: -84.023
Base-Backbone interact. energy: 0.736
local terms energy: -172.540277
where:
bonds (distance) C4'-P energy: -44.585
bonds (distance) P-C4' energy: -69.643
flat angles C4'-P-C4' energy: -45.122
flat angles P-C4'-P energy: -23.274
tors. eta vs tors. theta energy: 10.084
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: 4
=====================================
Write number: 167
Temperature: 0.900000
Total energy: -1095.046751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1095.046751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1095.046751 (E_RNA)
where:
Base-Base interactions energy: -713.629
where: short stacking energy: -329.395
Base-Backbone interact. energy: -1.638
local terms energy: -379.779723
where:
bonds (distance) C4'-P energy: -67.937
bonds (distance) P-C4' energy: -74.189
flat angles C4'-P-C4' energy: -82.055
flat angles P-C4'-P energy: -50.860
tors. eta vs tors. theta energy: -104.739
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: 2, replica: 1
=====================================
Write number: 167
Temperature: 0.950000
Total energy: -1055.355729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1055.355729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1055.355729 (E_RNA)
where:
Base-Base interactions energy: -676.954
where: short stacking energy: -322.729
Base-Backbone interact. energy: -0.692
local terms energy: -377.709964
where:
bonds (distance) C4'-P energy: -60.976
bonds (distance) P-C4' energy: -68.376
flat angles C4'-P-C4' energy: -85.134
flat angles P-C4'-P energy: -57.384
tors. eta vs tors. theta energy: -105.840
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 167
Temperature: 1.000000
Total energy: -825.698869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -825.698869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -825.698869 (E_RNA)
where:
Base-Base interactions energy: -525.291
where: short stacking energy: -257.830
Base-Backbone interact. energy: 0.219
local terms energy: -300.626768
where:
bonds (distance) C4'-P energy: -76.372
bonds (distance) P-C4' energy: -59.970
flat angles C4'-P-C4' energy: -57.340
flat angles P-C4'-P energy: -32.170
tors. eta vs tors. theta energy: -74.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 167
Temperature: 1.050000
Total energy: -755.060170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -755.060170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -755.060170 (E_RNA)
where:
Base-Base interactions energy: -451.643
where: short stacking energy: -205.191
Base-Backbone interact. energy: -2.816
local terms energy: -300.602153
where:
bonds (distance) C4'-P energy: -66.347
bonds (distance) P-C4' energy: -63.902
flat angles C4'-P-C4' energy: -73.424
flat angles P-C4'-P energy: -39.453
tors. eta vs tors. theta energy: -57.476
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 167
Temperature: 1.100000
Total energy: -663.987510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -663.987510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -663.987510 (E_RNA)
where:
Base-Base interactions energy: -399.114
where: short stacking energy: -176.494
Base-Backbone interact. energy: -2.418
local terms energy: -262.455322
where:
bonds (distance) C4'-P energy: -65.305
bonds (distance) P-C4' energy: -59.963
flat angles C4'-P-C4' energy: -62.669
flat angles P-C4'-P energy: -40.837
tors. eta vs tors. theta energy: -33.681
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: 2
=====================================
Write number: 167
Temperature: 1.150000
Total energy: -542.125988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.125988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.125988 (E_RNA)
where:
Base-Base interactions energy: -278.077
where: short stacking energy: -134.229
Base-Backbone interact. energy: 0.030
local terms energy: -264.079105
where:
bonds (distance) C4'-P energy: -59.773
bonds (distance) P-C4' energy: -69.564
flat angles C4'-P-C4' energy: -57.426
flat angles P-C4'-P energy: -43.621
tors. eta vs tors. theta energy: -33.696
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 167
Temperature: 1.200000
Total energy: -409.896329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -409.896329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -409.896329 (E_RNA)
where:
Base-Base interactions energy: -191.609
where: short stacking energy: -116.451
Base-Backbone interact. energy: -0.762
local terms energy: -217.525466
where:
bonds (distance) C4'-P energy: -53.095
bonds (distance) P-C4' energy: -76.365
flat angles C4'-P-C4' energy: -53.047
flat angles P-C4'-P energy: -25.598
tors. eta vs tors. theta energy: -9.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 167
Temperature: 1.250000
Total energy: -339.702593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.702593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.702593 (E_RNA)
where:
Base-Base interactions energy: -135.419
where: short stacking energy: -88.240
Base-Backbone interact. energy: 0.799
local terms energy: -205.081858
where:
bonds (distance) C4'-P energy: -63.617
bonds (distance) P-C4' energy: -68.888
flat angles C4'-P-C4' energy: -52.406
flat angles P-C4'-P energy: -26.667
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: 9, replica: 8
=====================================
Write number: 167
Temperature: 1.300000
Total energy: -290.641907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.641907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.641907 (E_RNA)
where:
Base-Base interactions energy: -101.182
where: short stacking energy: -79.843
Base-Backbone interact. energy: 3.626
local terms energy: -193.085938
where:
bonds (distance) C4'-P energy: -53.857
bonds (distance) P-C4' energy: -61.888
flat angles C4'-P-C4' energy: -48.294
flat angles P-C4'-P energy: -36.914
tors. eta vs tors. theta energy: 7.866
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 167
Temperature: 1.350000
Total energy: -282.692272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.692272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.692272 (E_RNA)
where:
Base-Base interactions energy: -84.865
where: short stacking energy: -69.196
Base-Backbone interact. energy: 0.300
local terms energy: -198.126762
where:
bonds (distance) C4'-P energy: -61.366
bonds (distance) P-C4' energy: -65.557
flat angles C4'-P-C4' energy: -47.836
flat angles P-C4'-P energy: -43.420
tors. eta vs tors. theta energy: 20.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 168
Temperature: 0.900000
Total energy: -1098.880339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1098.880339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1098.880339 (E_RNA)
where:
Base-Base interactions energy: -730.679
where: short stacking energy: -304.053
Base-Backbone interact. energy: -2.577
local terms energy: -365.624286
where:
bonds (distance) C4'-P energy: -63.065
bonds (distance) P-C4' energy: -67.956
flat angles C4'-P-C4' energy: -76.855
flat angles P-C4'-P energy: -51.883
tors. eta vs tors. theta energy: -105.866
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 168
Temperature: 0.950000
Total energy: -1055.260491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1055.260491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1055.260491 (E_RNA)
where:
Base-Base interactions energy: -703.071
where: short stacking energy: -308.684
Base-Backbone interact. energy: -1.362
local terms energy: -350.827263
where:
bonds (distance) C4'-P energy: -59.146
bonds (distance) P-C4' energy: -61.804
flat angles C4'-P-C4' energy: -76.350
flat angles P-C4'-P energy: -49.962
tors. eta vs tors. theta energy: -103.564
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 168
Temperature: 1.000000
Total energy: -878.501698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -878.501698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -878.501698 (E_RNA)
where:
Base-Base interactions energy: -559.773
where: short stacking energy: -280.166
Base-Backbone interact. energy: -1.254
local terms energy: -317.474638
where:
bonds (distance) C4'-P energy: -60.590
bonds (distance) P-C4' energy: -55.072
flat angles C4'-P-C4' energy: -72.026
flat angles P-C4'-P energy: -40.744
tors. eta vs tors. theta energy: -89.043
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: 4, replica: 3
=====================================
Write number: 168
Temperature: 1.050000
Total energy: -791.243165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -791.243165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -791.243165 (E_RNA)
where:
Base-Base interactions energy: -476.394
where: short stacking energy: -229.005
Base-Backbone interact. energy: 1.824
local terms energy: -316.672716
where:
bonds (distance) C4'-P energy: -60.906
bonds (distance) P-C4' energy: -73.210
flat angles C4'-P-C4' energy: -74.077
flat angles P-C4'-P energy: -41.099
tors. eta vs tors. theta energy: -67.381
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: 6
=====================================
Write number: 168
Temperature: 1.100000
Total energy: -660.783688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -660.783688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -660.783688 (E_RNA)
where:
Base-Base interactions energy: -385.002
where: short stacking energy: -176.724
Base-Backbone interact. energy: -0.196
local terms energy: -275.585969
where:
bonds (distance) C4'-P energy: -59.011
bonds (distance) P-C4' energy: -73.973
flat angles C4'-P-C4' energy: -65.950
flat angles P-C4'-P energy: -39.441
tors. eta vs tors. theta energy: -37.210
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: 2
=====================================
Write number: 168
Temperature: 1.150000
Total energy: -575.662073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -575.662073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -575.662073 (E_RNA)
where:
Base-Base interactions energy: -312.512
where: short stacking energy: -167.210
Base-Backbone interact. energy: -0.242
local terms energy: -262.908879
where:
bonds (distance) C4'-P energy: -67.162
bonds (distance) P-C4' energy: -64.446
flat angles C4'-P-C4' energy: -67.676
flat angles P-C4'-P energy: -35.036
tors. eta vs tors. theta energy: -28.589
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 168
Temperature: 1.200000
Total energy: -351.478094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.478094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.478094 (E_RNA)
where:
Base-Base interactions energy: -133.881
where: short stacking energy: -94.742
Base-Backbone interact. energy: 1.445
local terms energy: -219.041766
where:
bonds (distance) C4'-P energy: -62.729
bonds (distance) P-C4' energy: -71.242
flat angles C4'-P-C4' energy: -57.231
flat angles P-C4'-P energy: -28.632
tors. eta vs tors. theta energy: 0.793
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 168
Temperature: 1.250000
Total energy: -404.842682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -404.842682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -404.842682 (E_RNA)
where:
Base-Base interactions energy: -177.305
where: short stacking energy: -107.507
Base-Backbone interact. energy: -0.632
local terms energy: -226.905499
where:
bonds (distance) C4'-P energy: -58.534
bonds (distance) P-C4' energy: -71.299
flat angles C4'-P-C4' energy: -56.958
flat angles P-C4'-P energy: -26.380
tors. eta vs tors. theta energy: -13.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 168
Temperature: 1.300000
Total energy: -309.169888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.169888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.169888 (E_RNA)
where:
Base-Base interactions energy: -124.517
where: short stacking energy: -69.032
Base-Backbone interact. energy: -1.136
local terms energy: -183.516329
where:
bonds (distance) C4'-P energy: -51.776
bonds (distance) P-C4' energy: -68.441
flat angles C4'-P-C4' energy: -55.917
flat angles P-C4'-P energy: -29.107
tors. eta vs tors. theta energy: 21.725
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: 10, replica: 7
=====================================
Write number: 168
Temperature: 1.350000
Total energy: -288.067183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.067183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.067183 (E_RNA)
where:
Base-Base interactions energy: -95.199
where: short stacking energy: -67.261
Base-Backbone interact. energy: -0.067
local terms energy: -192.801148
where:
bonds (distance) C4'-P energy: -65.761
bonds (distance) P-C4' energy: -59.819
flat angles C4'-P-C4' energy: -50.341
flat angles P-C4'-P energy: -23.840
tors. eta vs tors. theta energy: 6.959
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: 4
=====================================
Write number: 169
Temperature: 0.900000
Total energy: -1093.471273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1093.471273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1093.471273 (E_RNA)
where:
Base-Base interactions energy: -728.583
where: short stacking energy: -311.046
Base-Backbone interact. energy: 0.235
local terms energy: -365.123939
where:
bonds (distance) C4'-P energy: -66.960
bonds (distance) P-C4' energy: -62.263
flat angles C4'-P-C4' energy: -81.440
flat angles P-C4'-P energy: -46.992
tors. eta vs tors. theta energy: -107.468
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: 2, replica: 1
=====================================
Write number: 169
Temperature: 0.950000
Total energy: -1033.454257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1033.454257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1033.454257 (E_RNA)
where:
Base-Base interactions energy: -681.956
where: short stacking energy: -301.004
Base-Backbone interact. energy: -0.804
local terms energy: -350.694463
where:
bonds (distance) C4'-P energy: -60.655
bonds (distance) P-C4' energy: -68.714
flat angles C4'-P-C4' energy: -76.455
flat angles P-C4'-P energy: -49.491
tors. eta vs tors. theta energy: -95.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 169
Temperature: 1.000000
Total energy: -909.360132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -909.360132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -909.360132 (E_RNA)
where:
Base-Base interactions energy: -581.105
where: short stacking energy: -280.593
Base-Backbone interact. energy: -0.474
local terms energy: -327.781210
where:
bonds (distance) C4'-P energy: -63.011
bonds (distance) P-C4' energy: -66.842
flat angles C4'-P-C4' energy: -65.462
flat angles P-C4'-P energy: -46.157
tors. eta vs tors. theta energy: -86.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 169
Temperature: 1.050000
Total energy: -812.116919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -812.116919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -812.116919 (E_RNA)
where:
Base-Base interactions energy: -502.249
where: short stacking energy: -245.162
Base-Backbone interact. energy: -1.080
local terms energy: -308.787679
where:
bonds (distance) C4'-P energy: -52.823
bonds (distance) P-C4' energy: -64.672
flat angles C4'-P-C4' energy: -68.354
flat angles P-C4'-P energy: -43.975
tors. eta vs tors. theta energy: -78.964
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 169
Temperature: 1.100000
Total energy: -651.936408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -651.936408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -651.936408 (E_RNA)
where:
Base-Base interactions energy: -391.279
where: short stacking energy: -170.703
Base-Backbone interact. energy: -2.416
local terms energy: -258.242192
where:
bonds (distance) C4'-P energy: -57.630
bonds (distance) P-C4' energy: -58.894
flat angles C4'-P-C4' energy: -56.360
flat angles P-C4'-P energy: -47.223
tors. eta vs tors. theta energy: -38.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 169
Temperature: 1.150000
Total energy: -558.661603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -558.661603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -558.661603 (E_RNA)
where:
Base-Base interactions energy: -316.673
where: short stacking energy: -168.999
Base-Backbone interact. energy: 0.518
local terms energy: -242.506511
where:
bonds (distance) C4'-P energy: -55.846
bonds (distance) P-C4' energy: -62.621
flat angles C4'-P-C4' energy: -65.265
flat angles P-C4'-P energy: -28.840
tors. eta vs tors. theta energy: -29.934
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 169
Temperature: 1.200000
Total energy: -333.115444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.115444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.115444 (E_RNA)
where:
Base-Base interactions energy: -128.908
where: short stacking energy: -100.045
Base-Backbone interact. energy: 0.172
local terms energy: -204.379897
where:
bonds (distance) C4'-P energy: -64.597
bonds (distance) P-C4' energy: -58.738
flat angles C4'-P-C4' energy: -55.831
flat angles P-C4'-P energy: -24.404
tors. eta vs tors. theta energy: -0.809
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 169
Temperature: 1.250000
Total energy: -304.267781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.267781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.267781 (E_RNA)
where:
Base-Base interactions energy: -114.899
where: short stacking energy: -84.590
Base-Backbone interact. energy: -0.742
local terms energy: -188.627062
where:
bonds (distance) C4'-P energy: -54.174
bonds (distance) P-C4' energy: -56.931
flat angles C4'-P-C4' energy: -46.698
flat angles P-C4'-P energy: -26.428
tors. eta vs tors. theta energy: -4.396
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 169
Temperature: 1.300000
Total energy: -351.897106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.897106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.897106 (E_RNA)
where:
Base-Base interactions energy: -154.245
where: short stacking energy: -96.806
Base-Backbone interact. energy: -0.989
local terms energy: -196.663618
where:
bonds (distance) C4'-P energy: -45.798
bonds (distance) P-C4' energy: -66.950
flat angles C4'-P-C4' energy: -51.500
flat angles P-C4'-P energy: -35.353
tors. eta vs tors. theta energy: 2.938
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 169
Temperature: 1.350000
Total energy: -265.495510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.495510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.495510 (E_RNA)
where:
Base-Base interactions energy: -77.764
where: short stacking energy: -76.880
Base-Backbone interact. energy: -2.976
local terms energy: -184.755901
where:
bonds (distance) C4'-P energy: -51.839
bonds (distance) P-C4' energy: -56.505
flat angles C4'-P-C4' energy: -54.198
flat angles P-C4'-P energy: -31.460
tors. eta vs tors. theta energy: 9.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 170
Temperature: 0.900000
Total energy: -1109.300331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1109.300331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1109.300331 (E_RNA)
where:
Base-Base interactions energy: -767.453
where: short stacking energy: -324.669
Base-Backbone interact. energy: -1.571
local terms energy: -340.276239
where:
bonds (distance) C4'-P energy: -65.119
bonds (distance) P-C4' energy: -66.080
flat angles C4'-P-C4' energy: -67.538
flat angles P-C4'-P energy: -41.437
tors. eta vs tors. theta energy: -100.102
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: 2, replica: 1
=====================================
Write number: 170
Temperature: 0.950000
Total energy: -1052.749577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1052.749577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1052.749577 (E_RNA)
where:
Base-Base interactions energy: -693.611
where: short stacking energy: -303.166
Base-Backbone interact. energy: 0.182
local terms energy: -359.321041
where:
bonds (distance) C4'-P energy: -69.379
bonds (distance) P-C4' energy: -68.051
flat angles C4'-P-C4' energy: -79.062
flat angles P-C4'-P energy: -45.651
tors. eta vs tors. theta energy: -97.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 170
Temperature: 1.000000
Total energy: -909.684353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -909.684353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -909.684353 (E_RNA)
where:
Base-Base interactions energy: -579.345
where: short stacking energy: -255.939
Base-Backbone interact. energy: 1.917
local terms energy: -332.255881
where:
bonds (distance) C4'-P energy: -76.783
bonds (distance) P-C4' energy: -67.673
flat angles C4'-P-C4' energy: -72.863
flat angles P-C4'-P energy: -38.907
tors. eta vs tors. theta energy: -76.031
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 170
Temperature: 1.050000
Total energy: -820.407307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -820.407307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -820.407307 (E_RNA)
where:
Base-Base interactions energy: -527.520
where: short stacking energy: -219.359
Base-Backbone interact. energy: -1.842
local terms energy: -291.045250
where:
bonds (distance) C4'-P energy: -59.467
bonds (distance) P-C4' energy: -62.494
flat angles C4'-P-C4' energy: -59.477
flat angles P-C4'-P energy: -45.594
tors. eta vs tors. theta energy: -64.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 170
Temperature: 1.100000
Total energy: -537.718253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.718253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.718253 (E_RNA)
where:
Base-Base interactions energy: -285.982
where: short stacking energy: -134.337
Base-Backbone interact. energy: -2.008
local terms energy: -249.728301
where:
bonds (distance) C4'-P energy: -66.565
bonds (distance) P-C4' energy: -67.582
flat angles C4'-P-C4' energy: -66.291
flat angles P-C4'-P energy: -31.492
tors. eta vs tors. theta energy: -17.798
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 170
Temperature: 1.150000
Total energy: -611.454489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -611.454489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -611.454489 (E_RNA)
where:
Base-Base interactions energy: -350.797
where: short stacking energy: -186.071
Base-Backbone interact. energy: -0.167
local terms energy: -260.490046
where:
bonds (distance) C4'-P energy: -54.926
bonds (distance) P-C4' energy: -64.328
flat angles C4'-P-C4' energy: -71.979
flat angles P-C4'-P energy: -32.486
tors. eta vs tors. theta energy: -36.771
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: 7, replica: 8
=====================================
Write number: 170
Temperature: 1.200000
Total energy: -363.752758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.752758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.752758 (E_RNA)
where:
Base-Base interactions energy: -168.695
where: short stacking energy: -114.266
Base-Backbone interact. energy: -0.386
local terms energy: -194.671270
where:
bonds (distance) C4'-P energy: -49.364
bonds (distance) P-C4' energy: -66.516
flat angles C4'-P-C4' energy: -55.164
flat angles P-C4'-P energy: -20.401
tors. eta vs tors. theta energy: -3.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 170
Temperature: 1.250000
Total energy: -314.291191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.291191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.291191 (E_RNA)
where:
Base-Base interactions energy: -122.627
where: short stacking energy: -100.695
Base-Backbone interact. energy: -0.279
local terms energy: -191.385523
where:
bonds (distance) C4'-P energy: -54.418
bonds (distance) P-C4' energy: -47.637
flat angles C4'-P-C4' energy: -44.607
flat angles P-C4'-P energy: -33.432
tors. eta vs tors. theta energy: -11.292
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: 170
Temperature: 1.300000
Total energy: -355.059334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.059334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.059334 (E_RNA)
where:
Base-Base interactions energy: -134.263
where: short stacking energy: -76.387
Base-Backbone interact. energy: 0.278
local terms energy: -221.073908
where:
bonds (distance) C4'-P energy: -64.842
bonds (distance) P-C4' energy: -61.046
flat angles C4'-P-C4' energy: -63.735
flat angles P-C4'-P energy: -32.637
tors. eta vs tors. theta energy: 1.185
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 170
Temperature: 1.350000
Total energy: -287.199021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.199021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.199021 (E_RNA)
where:
Base-Base interactions energy: -96.481
where: short stacking energy: -82.532
Base-Backbone interact. energy: 2.930
local terms energy: -193.648008
where:
bonds (distance) C4'-P energy: -45.988
bonds (distance) P-C4' energy: -65.782
flat angles C4'-P-C4' energy: -51.099
flat angles P-C4'-P energy: -38.903
tors. eta vs tors. theta energy: 8.125
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: 4
=====================================
Write number: 171
Temperature: 0.900000
Total energy: -1095.599268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1095.599268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1095.599268 (E_RNA)
where:
Base-Base interactions energy: -715.319
where: short stacking energy: -319.962
Base-Backbone interact. energy: 0.073
local terms energy: -380.353623
where:
bonds (distance) C4'-P energy: -72.258
bonds (distance) P-C4' energy: -72.487
flat angles C4'-P-C4' energy: -79.113
flat angles P-C4'-P energy: -46.630
tors. eta vs tors. theta energy: -109.865
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 171
Temperature: 0.950000
Total energy: -1021.391331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1021.391331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1021.391331 (E_RNA)
where:
Base-Base interactions energy: -677.045
where: short stacking energy: -321.023
Base-Backbone interact. energy: 5.988
local terms energy: -350.334184
where:
bonds (distance) C4'-P energy: -65.307
bonds (distance) P-C4' energy: -66.267
flat angles C4'-P-C4' energy: -72.942
flat angles P-C4'-P energy: -49.339
tors. eta vs tors. theta energy: -96.478
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: 5
=====================================
Write number: 171
Temperature: 1.000000
Total energy: -897.721265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -897.721265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -897.721265 (E_RNA)
where:
Base-Base interactions energy: -550.070
where: short stacking energy: -257.187
Base-Backbone interact. energy: 6.788
local terms energy: -354.440029
where:
bonds (distance) C4'-P energy: -74.356
bonds (distance) P-C4' energy: -67.579
flat angles C4'-P-C4' energy: -73.815
flat angles P-C4'-P energy: -48.114
tors. eta vs tors. theta energy: -90.575
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: 4, replica: 3
=====================================
Write number: 171
Temperature: 1.050000
Total energy: -866.678572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -866.678572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -866.678572 (E_RNA)
where:
Base-Base interactions energy: -568.208
where: short stacking energy: -239.664
Base-Backbone interact. energy: -0.913
local terms energy: -297.556831
where:
bonds (distance) C4'-P energy: -72.612
bonds (distance) P-C4' energy: -53.367
flat angles C4'-P-C4' energy: -58.682
flat angles P-C4'-P energy: -38.064
tors. eta vs tors. theta energy: -74.831
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 171
Temperature: 1.100000
Total energy: -589.741921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -589.741921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -589.741921 (E_RNA)
where:
Base-Base interactions energy: -342.643
where: short stacking energy: -183.128
Base-Backbone interact. energy: -1.666
local terms energy: -245.432763
where:
bonds (distance) C4'-P energy: -57.390
bonds (distance) P-C4' energy: -59.357
flat angles C4'-P-C4' energy: -58.694
flat angles P-C4'-P energy: -37.381
tors. eta vs tors. theta energy: -32.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 171
Temperature: 1.150000
Total energy: -617.217131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -617.217131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -617.217131 (E_RNA)
where:
Base-Base interactions energy: -359.642
where: short stacking energy: -157.211
Base-Backbone interact. energy: 0.291
local terms energy: -257.865845
where:
bonds (distance) C4'-P energy: -68.284
bonds (distance) P-C4' energy: -65.792
flat angles C4'-P-C4' energy: -59.599
flat angles P-C4'-P energy: -35.380
tors. eta vs tors. theta energy: -28.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 171
Temperature: 1.200000
Total energy: -334.963707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.963707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.963707 (E_RNA)
where:
Base-Base interactions energy: -124.810
where: short stacking energy: -85.709
Base-Backbone interact. energy: -0.966
local terms energy: -209.187212
where:
bonds (distance) C4'-P energy: -50.128
bonds (distance) P-C4' energy: -66.418
flat angles C4'-P-C4' energy: -61.123
flat angles P-C4'-P energy: -38.351
tors. eta vs tors. theta energy: 6.834
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 171
Temperature: 1.250000
Total energy: -401.977049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -401.977049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -401.977049 (E_RNA)
where:
Base-Base interactions energy: -191.285
where: short stacking energy: -116.573
Base-Backbone interact. energy: -1.021
local terms energy: -209.670914
where:
bonds (distance) C4'-P energy: -65.829
bonds (distance) P-C4' energy: -60.232
flat angles C4'-P-C4' energy: -46.840
flat angles P-C4'-P energy: -34.301
tors. eta vs tors. theta energy: -2.470
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: 9, replica: 9
=====================================
Write number: 171
Temperature: 1.300000
Total energy: -293.683142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.683142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.683142 (E_RNA)
where:
Base-Base interactions energy: -93.531
where: short stacking energy: -84.067
Base-Backbone interact. energy: -1.409
local terms energy: -198.743258
where:
bonds (distance) C4'-P energy: -48.115
bonds (distance) P-C4' energy: -65.544
flat angles C4'-P-C4' energy: -42.153
flat angles P-C4'-P energy: -38.867
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: 10, replica: 7
=====================================
Write number: 171
Temperature: 1.350000
Total energy: -285.202881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.202881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.202881 (E_RNA)
where:
Base-Base interactions energy: -92.497
where: short stacking energy: -68.498
Base-Backbone interact. energy: -2.010
local terms energy: -190.695069
where:
bonds (distance) C4'-P energy: -58.571
bonds (distance) P-C4' energy: -60.566
flat angles C4'-P-C4' energy: -43.558
flat angles P-C4'-P energy: -37.222
tors. eta vs tors. theta energy: 9.221
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: 4
=====================================
Write number: 172
Temperature: 0.900000
Total energy: -1087.960658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1087.960658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1087.960658 (E_RNA)
where:
Base-Base interactions energy: -708.905
where: short stacking energy: -318.299
Base-Backbone interact. energy: -0.701
local terms energy: -378.354597
where:
bonds (distance) C4'-P energy: -71.262
bonds (distance) P-C4' energy: -70.879
flat angles C4'-P-C4' energy: -77.187
flat angles P-C4'-P energy: -47.031
tors. eta vs tors. theta energy: -111.995
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 172
Temperature: 0.950000
Total energy: -1014.774256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1014.774256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1014.774256 (E_RNA)
where:
Base-Base interactions energy: -655.650
where: short stacking energy: -315.679
Base-Backbone interact. energy: -0.618
local terms energy: -358.506031
where:
bonds (distance) C4'-P energy: -59.996
bonds (distance) P-C4' energy: -74.386
flat angles C4'-P-C4' energy: -80.162
flat angles P-C4'-P energy: -51.092
tors. eta vs tors. theta energy: -92.870
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: 3
=====================================
Write number: 172
Temperature: 1.000000
Total energy: -861.430077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -861.430077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -861.430077 (E_RNA)
where:
Base-Base interactions energy: -542.442
where: short stacking energy: -243.323
Base-Backbone interact. energy: -2.067
local terms energy: -316.920674
where:
bonds (distance) C4'-P energy: -58.127
bonds (distance) P-C4' energy: -73.910
flat angles C4'-P-C4' energy: -65.632
flat angles P-C4'-P energy: -46.262
tors. eta vs tors. theta energy: -72.990
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 172
Temperature: 1.050000
Total energy: -895.373767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -895.373767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -895.373767 (E_RNA)
where:
Base-Base interactions energy: -561.751
where: short stacking energy: -255.073
Base-Backbone interact. energy: -0.801
local terms energy: -332.822261
where:
bonds (distance) C4'-P energy: -68.416
bonds (distance) P-C4' energy: -64.028
flat angles C4'-P-C4' energy: -75.475
flat angles P-C4'-P energy: -49.277
tors. eta vs tors. theta energy: -75.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 172
Temperature: 1.100000
Total energy: -628.164671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -628.164671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -628.164671 (E_RNA)
where:
Base-Base interactions energy: -359.782
where: short stacking energy: -183.646
Base-Backbone interact. energy: -0.700
local terms energy: -267.682376
where:
bonds (distance) C4'-P energy: -64.990
bonds (distance) P-C4' energy: -44.215
flat angles C4'-P-C4' energy: -69.474
flat angles P-C4'-P energy: -44.836
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: 6, replica: 2
=====================================
Write number: 172
Temperature: 1.150000
Total energy: -588.706855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -588.706855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -588.706855 (E_RNA)
where:
Base-Base interactions energy: -317.896
where: short stacking energy: -190.255
Base-Backbone interact. energy: 0.183
local terms energy: -270.993861
where:
bonds (distance) C4'-P energy: -56.717
bonds (distance) P-C4' energy: -64.427
flat angles C4'-P-C4' energy: -65.843
flat angles P-C4'-P energy: -37.254
tors. eta vs tors. theta energy: -46.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 172
Temperature: 1.200000
Total energy: -431.444536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -431.444536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -431.444536 (E_RNA)
where:
Base-Base interactions energy: -194.048
where: short stacking energy: -106.638
Base-Backbone interact. energy: -0.802
local terms energy: -236.594626
where:
bonds (distance) C4'-P energy: -62.432
bonds (distance) P-C4' energy: -56.972
flat angles C4'-P-C4' energy: -62.969
flat angles P-C4'-P energy: -45.108
tors. eta vs tors. theta energy: -9.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 172
Temperature: 1.250000
Total energy: -343.558263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.558263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.558263 (E_RNA)
where:
Base-Base interactions energy: -136.972
where: short stacking energy: -86.733
Base-Backbone interact. energy: -0.543
local terms energy: -206.042967
where:
bonds (distance) C4'-P energy: -55.808
bonds (distance) P-C4' energy: -63.234
flat angles C4'-P-C4' energy: -54.226
flat angles P-C4'-P energy: -38.028
tors. eta vs tors. theta energy: 5.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 172
Temperature: 1.300000
Total energy: -285.130531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.130531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.130531 (E_RNA)
where:
Base-Base interactions energy: -103.264
where: short stacking energy: -58.359
Base-Backbone interact. energy: -0.642
local terms energy: -181.223926
where:
bonds (distance) C4'-P energy: -54.963
bonds (distance) P-C4' energy: -70.229
flat angles C4'-P-C4' energy: -49.266
flat angles P-C4'-P energy: -23.693
tors. eta vs tors. theta energy: 16.928
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 172
Temperature: 1.350000
Total energy: -268.971304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.971304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.971304 (E_RNA)
where:
Base-Base interactions energy: -84.788
where: short stacking energy: -60.817
Base-Backbone interact. energy: 3.825
local terms energy: -188.008167
where:
bonds (distance) C4'-P energy: -60.141
bonds (distance) P-C4' energy: -53.639
flat angles C4'-P-C4' energy: -55.622
flat angles P-C4'-P energy: -16.412
tors. eta vs tors. theta energy: -2.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 173
Temperature: 0.900000
Total energy: -1079.761389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1079.761389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1079.761389 (E_RNA)
where:
Base-Base interactions energy: -701.605
where: short stacking energy: -316.396
Base-Backbone interact. energy: -2.001
local terms energy: -376.156244
where:
bonds (distance) C4'-P energy: -60.709
bonds (distance) P-C4' energy: -73.576
flat angles C4'-P-C4' energy: -79.176
flat angles P-C4'-P energy: -49.176
tors. eta vs tors. theta energy: -113.520
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 173
Temperature: 0.950000
Total energy: -1038.089066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1038.089066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1038.089066 (E_RNA)
where:
Base-Base interactions energy: -681.985
where: short stacking energy: -295.138
Base-Backbone interact. energy: 0.576
local terms energy: -356.679506
where:
bonds (distance) C4'-P energy: -66.556
bonds (distance) P-C4' energy: -68.298
flat angles C4'-P-C4' energy: -78.874
flat angles P-C4'-P energy: -45.343
tors. eta vs tors. theta energy: -97.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 173
Temperature: 1.000000
Total energy: -888.670363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -888.670363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -888.670363 (E_RNA)
where:
Base-Base interactions energy: -559.507
where: short stacking energy: -251.677
Base-Backbone interact. energy: -0.407
local terms energy: -328.756006
where:
bonds (distance) C4'-P energy: -76.393
bonds (distance) P-C4' energy: -69.661
flat angles C4'-P-C4' energy: -62.968
flat angles P-C4'-P energy: -47.327
tors. eta vs tors. theta energy: -72.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 173
Temperature: 1.050000
Total energy: -866.111033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -866.111033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -866.111033 (E_RNA)
where:
Base-Base interactions energy: -561.735
where: short stacking energy: -266.915
Base-Backbone interact. energy: 0.048
local terms energy: -304.424441
where:
bonds (distance) C4'-P energy: -61.407
bonds (distance) P-C4' energy: -61.546
flat angles C4'-P-C4' energy: -65.491
flat angles P-C4'-P energy: -36.108
tors. eta vs tors. theta energy: -79.872
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: 5, replica: 6
=====================================
Write number: 173
Temperature: 1.100000
Total energy: -646.115592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -646.115592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -646.115592 (E_RNA)
where:
Base-Base interactions energy: -387.803
where: short stacking energy: -172.881
Base-Backbone interact. energy: -2.134
local terms energy: -256.178953
where:
bonds (distance) C4'-P energy: -65.319
bonds (distance) P-C4' energy: -70.232
flat angles C4'-P-C4' energy: -51.291
flat angles P-C4'-P energy: -30.989
tors. eta vs tors. theta energy: -38.347
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 173
Temperature: 1.150000
Total energy: -568.342117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -568.342117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -568.342117 (E_RNA)
where:
Base-Base interactions energy: -306.071
where: short stacking energy: -177.847
Base-Backbone interact. energy: -1.603
local terms energy: -260.668923
where:
bonds (distance) C4'-P energy: -54.654
bonds (distance) P-C4' energy: -68.390
flat angles C4'-P-C4' energy: -63.475
flat angles P-C4'-P energy: -38.942
tors. eta vs tors. theta energy: -35.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 173
Temperature: 1.200000
Total energy: -436.327645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -436.327645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -436.327645 (E_RNA)
where:
Base-Base interactions energy: -203.349
where: short stacking energy: -111.407
Base-Backbone interact. energy: -1.956
local terms energy: -231.021947
where:
bonds (distance) C4'-P energy: -53.503
bonds (distance) P-C4' energy: -74.002
flat angles C4'-P-C4' energy: -58.395
flat angles P-C4'-P energy: -36.089
tors. eta vs tors. theta energy: -9.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 173
Temperature: 1.250000
Total energy: -327.921563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.921563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.921563 (E_RNA)
where:
Base-Base interactions energy: -121.127
where: short stacking energy: -78.195
Base-Backbone interact. energy: -1.286
local terms energy: -205.508654
where:
bonds (distance) C4'-P energy: -66.466
bonds (distance) P-C4' energy: -60.724
flat angles C4'-P-C4' energy: -42.749
flat angles P-C4'-P energy: -36.697
tors. eta vs tors. theta energy: 1.127
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 173
Temperature: 1.300000
Total energy: -279.699556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.699556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.699556 (E_RNA)
where:
Base-Base interactions energy: -96.362
where: short stacking energy: -88.626
Base-Backbone interact. energy: 2.722
local terms energy: -186.060034
where:
bonds (distance) C4'-P energy: -63.263
bonds (distance) P-C4' energy: -64.374
flat angles C4'-P-C4' energy: -60.982
flat angles P-C4'-P energy: -5.541
tors. eta vs tors. theta energy: 8.101
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: 173
Temperature: 1.350000
Total energy: -291.593014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.593014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.593014 (E_RNA)
where:
Base-Base interactions energy: -87.905
where: short stacking energy: -60.676
Base-Backbone interact. energy: -1.012
local terms energy: -202.675527
where:
bonds (distance) C4'-P energy: -55.196
bonds (distance) P-C4' energy: -71.110
flat angles C4'-P-C4' energy: -47.300
flat angles P-C4'-P energy: -37.913
tors. eta vs tors. theta energy: 8.843
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 174
Temperature: 0.900000
Total energy: -1104.191874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1104.191874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1104.191874 (E_RNA)
where:
Base-Base interactions energy: -717.116
where: short stacking energy: -308.112
Base-Backbone interact. energy: -0.600
local terms energy: -386.476175
where:
bonds (distance) C4'-P energy: -74.266
bonds (distance) P-C4' energy: -78.200
flat angles C4'-P-C4' energy: -76.209
flat angles P-C4'-P energy: -47.042
tors. eta vs tors. theta energy: -110.759
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: 1
=====================================
Write number: 174
Temperature: 0.950000
Total energy: -1043.415947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1043.415947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1043.415947 (E_RNA)
where:
Base-Base interactions energy: -684.253
where: short stacking energy: -299.896
Base-Backbone interact. energy: -2.437
local terms energy: -356.725987
where:
bonds (distance) C4'-P energy: -63.004
bonds (distance) P-C4' energy: -65.104
flat angles C4'-P-C4' energy: -81.083
flat angles P-C4'-P energy: -51.063
tors. eta vs tors. theta energy: -96.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 174
Temperature: 1.000000
Total energy: -894.554747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -894.554747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -894.554747 (E_RNA)
where:
Base-Base interactions energy: -565.110
where: short stacking energy: -267.027
Base-Backbone interact. energy: 1.101
local terms energy: -330.545952
where:
bonds (distance) C4'-P energy: -64.499
bonds (distance) P-C4' energy: -62.978
flat angles C4'-P-C4' energy: -70.385
flat angles P-C4'-P energy: -48.617
tors. eta vs tors. theta energy: -84.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 174
Temperature: 1.050000
Total energy: -859.142617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -859.142617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -859.142617 (E_RNA)
where:
Base-Base interactions energy: -552.298
where: short stacking energy: -239.787
Base-Backbone interact. energy: -2.834
local terms energy: -304.010535
where:
bonds (distance) C4'-P energy: -57.096
bonds (distance) P-C4' energy: -59.059
flat angles C4'-P-C4' energy: -69.410
flat angles P-C4'-P energy: -46.909
tors. eta vs tors. theta energy: -71.537
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: 6
=====================================
Write number: 174
Temperature: 1.100000
Total energy: -616.984501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -616.984501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -616.984501 (E_RNA)
where:
Base-Base interactions energy: -354.600
where: short stacking energy: -168.788
Base-Backbone interact. energy: -1.915
local terms energy: -260.468951
where:
bonds (distance) C4'-P energy: -60.839
bonds (distance) P-C4' energy: -64.591
flat angles C4'-P-C4' energy: -54.902
flat angles P-C4'-P energy: -52.840
tors. eta vs tors. theta energy: -27.297
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: 2
=====================================
Write number: 174
Temperature: 1.150000
Total energy: -570.104258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -570.104258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -570.104258 (E_RNA)
where:
Base-Base interactions energy: -321.763
where: short stacking energy: -166.634
Base-Backbone interact. energy: 0.099
local terms energy: -248.440261
where:
bonds (distance) C4'-P energy: -54.673
bonds (distance) P-C4' energy: -67.586
flat angles C4'-P-C4' energy: -63.123
flat angles P-C4'-P energy: -33.841
tors. eta vs tors. theta energy: -29.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 174
Temperature: 1.200000
Total energy: -448.288031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -448.288031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -448.288031 (E_RNA)
where:
Base-Base interactions energy: -220.175
where: short stacking energy: -136.345
Base-Backbone interact. energy: -0.621
local terms energy: -227.492273
where:
bonds (distance) C4'-P energy: -51.519
bonds (distance) P-C4' energy: -64.036
flat angles C4'-P-C4' energy: -46.031
flat angles P-C4'-P energy: -40.437
tors. eta vs tors. theta energy: -25.469
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: 8, replica: 9
=====================================
Write number: 174
Temperature: 1.250000
Total energy: -316.758007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.758007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.758007 (E_RNA)
where:
Base-Base interactions energy: -127.858
where: short stacking energy: -102.665
Base-Backbone interact. energy: 0.451
local terms energy: -189.351478
where:
bonds (distance) C4'-P energy: -54.565
bonds (distance) P-C4' energy: -54.402
flat angles C4'-P-C4' energy: -43.480
flat angles P-C4'-P energy: -26.104
tors. eta vs tors. theta energy: -10.801
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 174
Temperature: 1.300000
Total energy: -294.670685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.670685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.670685 (E_RNA)
where:
Base-Base interactions energy: -113.046
where: short stacking energy: -91.162
Base-Backbone interact. energy: -2.859
local terms energy: -178.764818
where:
bonds (distance) C4'-P energy: -56.542
bonds (distance) P-C4' energy: -54.931
flat angles C4'-P-C4' energy: -45.072
flat angles P-C4'-P energy: -30.351
tors. eta vs tors. theta energy: 8.130
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 174
Temperature: 1.350000
Total energy: -263.932826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.932826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.932826 (E_RNA)
where:
Base-Base interactions energy: -80.826
where: short stacking energy: -61.600
Base-Backbone interact. energy: -1.348
local terms energy: -181.758710
where:
bonds (distance) C4'-P energy: -52.127
bonds (distance) P-C4' energy: -57.987
flat angles C4'-P-C4' energy: -61.460
flat angles P-C4'-P energy: -24.797
tors. eta vs tors. theta energy: 14.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 175
Temperature: 0.900000
Total energy: -1097.365921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1097.365921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1097.365921 (E_RNA)
where:
Base-Base interactions energy: -708.413
where: short stacking energy: -322.899
Base-Backbone interact. energy: -0.535
local terms energy: -388.417696
where:
bonds (distance) C4'-P energy: -77.762
bonds (distance) P-C4' energy: -73.921
flat angles C4'-P-C4' energy: -73.534
flat angles P-C4'-P energy: -59.163
tors. eta vs tors. theta energy: -104.038
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: 1
=====================================
Write number: 175
Temperature: 0.950000
Total energy: -1065.174964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1065.174964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1065.174964 (E_RNA)
where:
Base-Base interactions energy: -700.195
where: short stacking energy: -320.734
Base-Backbone interact. energy: -3.253
local terms energy: -361.727062
where:
bonds (distance) C4'-P energy: -62.083
bonds (distance) P-C4' energy: -70.173
flat angles C4'-P-C4' energy: -71.647
flat angles P-C4'-P energy: -53.306
tors. eta vs tors. theta energy: -104.518
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 175
Temperature: 1.000000
Total energy: -929.636218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -929.636218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -929.636218 (E_RNA)
where:
Base-Base interactions energy: -586.779
where: short stacking energy: -273.660
Base-Backbone interact. energy: -1.259
local terms energy: -341.597676
where:
bonds (distance) C4'-P energy: -74.324
bonds (distance) P-C4' energy: -74.376
flat angles C4'-P-C4' energy: -67.157
flat angles P-C4'-P energy: -41.117
tors. eta vs tors. theta energy: -84.623
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: 3
=====================================
Write number: 175
Temperature: 1.050000
Total energy: -886.094933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -886.094933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -886.094933 (E_RNA)
where:
Base-Base interactions energy: -573.446
where: short stacking energy: -248.820
Base-Backbone interact. energy: -2.503
local terms energy: -310.145776
where:
bonds (distance) C4'-P energy: -67.571
bonds (distance) P-C4' energy: -57.283
flat angles C4'-P-C4' energy: -76.696
flat angles P-C4'-P energy: -43.164
tors. eta vs tors. theta energy: -65.430
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: 6
=====================================
Write number: 175
Temperature: 1.100000
Total energy: -620.849804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -620.849804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -620.849804 (E_RNA)
where:
Base-Base interactions energy: -361.698
where: short stacking energy: -160.943
Base-Backbone interact. energy: 0.521
local terms energy: -259.672635
where:
bonds (distance) C4'-P energy: -59.868
bonds (distance) P-C4' energy: -69.209
flat angles C4'-P-C4' energy: -58.068
flat angles P-C4'-P energy: -37.269
tors. eta vs tors. theta energy: -35.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 175
Temperature: 1.150000
Total energy: -555.921920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -555.921920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -555.921920 (E_RNA)
where:
Base-Base interactions energy: -296.355
where: short stacking energy: -146.849
Base-Backbone interact. energy: -0.929
local terms energy: -258.637658
where:
bonds (distance) C4'-P energy: -54.663
bonds (distance) P-C4' energy: -64.107
flat angles C4'-P-C4' energy: -56.603
flat angles P-C4'-P energy: -47.125
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: 7, replica: 10
=====================================
Write number: 175
Temperature: 1.200000
Total energy: -455.876657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -455.876657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -455.876657 (E_RNA)
where:
Base-Base interactions energy: -245.485
where: short stacking energy: -149.023
Base-Backbone interact. energy: -0.892
local terms energy: -209.500241
where:
bonds (distance) C4'-P energy: -48.972
bonds (distance) P-C4' energy: -59.064
flat angles C4'-P-C4' energy: -47.977
flat angles P-C4'-P energy: -21.410
tors. eta vs tors. theta energy: -32.078
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: 8, replica: 7
=====================================
Write number: 175
Temperature: 1.250000
Total energy: -388.414589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -388.414589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -388.414589 (E_RNA)
where:
Base-Base interactions energy: -175.432
where: short stacking energy: -121.419
Base-Backbone interact. energy: 0.535
local terms energy: -213.517661
where:
bonds (distance) C4'-P energy: -53.061
bonds (distance) P-C4' energy: -64.444
flat angles C4'-P-C4' energy: -64.850
flat angles P-C4'-P energy: -37.291
tors. eta vs tors. theta energy: 6.128
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: 9
=====================================
Write number: 175
Temperature: 1.300000
Total energy: -316.302835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.302835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.302835 (E_RNA)
where:
Base-Base interactions energy: -109.090
where: short stacking energy: -80.033
Base-Backbone interact. energy: 2.436
local terms energy: -209.649677
where:
bonds (distance) C4'-P energy: -60.467
bonds (distance) P-C4' energy: -62.892
flat angles C4'-P-C4' energy: -52.489
flat angles P-C4'-P energy: -39.813
tors. eta vs tors. theta energy: 6.011
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 175
Temperature: 1.350000
Total energy: -277.174710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.174710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.174710 (E_RNA)
where:
Base-Base interactions energy: -73.891
where: short stacking energy: -56.605
Base-Backbone interact. energy: -0.239
local terms energy: -203.044728
where:
bonds (distance) C4'-P energy: -66.612
bonds (distance) P-C4' energy: -58.078
flat angles C4'-P-C4' energy: -52.833
flat angles P-C4'-P energy: -31.497
tors. eta vs tors. theta energy: 5.976
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 176
Temperature: 0.900000
Total energy: -1099.880505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1099.880505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1099.880505 (E_RNA)
where:
Base-Base interactions energy: -726.436
where: short stacking energy: -331.516
Base-Backbone interact. energy: -0.897
local terms energy: -372.547655
where:
bonds (distance) C4'-P energy: -67.395
bonds (distance) P-C4' energy: -66.578
flat angles C4'-P-C4' energy: -77.958
flat angles P-C4'-P energy: -46.583
tors. eta vs tors. theta energy: -114.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 176
Temperature: 0.950000
Total energy: -1065.119949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1065.119949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1065.119949 (E_RNA)
where:
Base-Base interactions energy: -686.143
where: short stacking energy: -327.785
Base-Backbone interact. energy: -0.952
local terms energy: -378.025044
where:
bonds (distance) C4'-P energy: -70.985
bonds (distance) P-C4' energy: -72.188
flat angles C4'-P-C4' energy: -74.538
flat angles P-C4'-P energy: -55.709
tors. eta vs tors. theta energy: -104.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 176
Temperature: 1.000000
Total energy: -908.847953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -908.847953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -908.847953 (E_RNA)
where:
Base-Base interactions energy: -562.468
where: short stacking energy: -270.935
Base-Backbone interact. energy: -0.265
local terms energy: -346.114452
where:
bonds (distance) C4'-P energy: -63.611
bonds (distance) P-C4' energy: -73.474
flat angles C4'-P-C4' energy: -67.615
flat angles P-C4'-P energy: -46.394
tors. eta vs tors. theta energy: -95.020
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: 3
=====================================
Write number: 176
Temperature: 1.050000
Total energy: -844.450392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -844.450392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -844.450392 (E_RNA)
where:
Base-Base interactions energy: -538.932
where: short stacking energy: -246.432
Base-Backbone interact. energy: -1.664
local terms energy: -303.854553
where:
bonds (distance) C4'-P energy: -63.731
bonds (distance) P-C4' energy: -59.925
flat angles C4'-P-C4' energy: -63.256
flat angles P-C4'-P energy: -43.060
tors. eta vs tors. theta energy: -73.882
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 176
Temperature: 1.100000
Total energy: -586.105628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -586.105628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -586.105628 (E_RNA)
where:
Base-Base interactions energy: -315.948
where: short stacking energy: -170.224
Base-Backbone interact. energy: -0.798
local terms energy: -269.359653
where:
bonds (distance) C4'-P energy: -63.591
bonds (distance) P-C4' energy: -74.212
flat angles C4'-P-C4' energy: -65.589
flat angles P-C4'-P energy: -39.400
tors. eta vs tors. theta energy: -26.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 176
Temperature: 1.150000
Total energy: -617.602152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -617.602152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -617.602152 (E_RNA)
where:
Base-Base interactions energy: -362.572
where: short stacking energy: -198.468
Base-Backbone interact. energy: 0.897
local terms energy: -255.926863
where:
bonds (distance) C4'-P energy: -52.041
bonds (distance) P-C4' energy: -65.439
flat angles C4'-P-C4' energy: -61.694
flat angles P-C4'-P energy: -36.501
tors. eta vs tors. theta energy: -40.252
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: 10
=====================================
Write number: 176
Temperature: 1.200000
Total energy: -449.006489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -449.006489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -449.006489 (E_RNA)
where:
Base-Base interactions energy: -220.210
where: short stacking energy: -123.114
Base-Backbone interact. energy: -1.183
local terms energy: -227.613055
where:
bonds (distance) C4'-P energy: -59.132
bonds (distance) P-C4' energy: -58.836
flat angles C4'-P-C4' energy: -58.646
flat angles P-C4'-P energy: -35.382
tors. eta vs tors. theta energy: -15.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 176
Temperature: 1.250000
Total energy: -342.271600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.271600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.271600 (E_RNA)
where:
Base-Base interactions energy: -144.641
where: short stacking energy: -100.683
Base-Backbone interact. energy: 3.393
local terms energy: -201.023068
where:
bonds (distance) C4'-P energy: -54.859
bonds (distance) P-C4' energy: -63.052
flat angles C4'-P-C4' energy: -47.392
flat angles P-C4'-P energy: -32.736
tors. eta vs tors. theta energy: -2.984
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 176
Temperature: 1.300000
Total energy: -280.651504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.651504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.651504 (E_RNA)
where:
Base-Base interactions energy: -77.896
where: short stacking energy: -62.002
Base-Backbone interact. energy: -0.495
local terms energy: -202.260586
where:
bonds (distance) C4'-P energy: -63.561
bonds (distance) P-C4' energy: -63.606
flat angles C4'-P-C4' energy: -50.305
flat angles P-C4'-P energy: -41.107
tors. eta vs tors. theta energy: 16.319
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 176
Temperature: 1.350000
Total energy: -269.103995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.103995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.103995 (E_RNA)
where:
Base-Base interactions energy: -98.049
where: short stacking energy: -83.212
Base-Backbone interact. energy: 0.143
local terms energy: -171.198410
where:
bonds (distance) C4'-P energy: -65.400
bonds (distance) P-C4' energy: -54.519
flat angles C4'-P-C4' energy: -43.962
flat angles P-C4'-P energy: -17.642
tors. eta vs tors. theta energy: 10.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 177
Temperature: 0.900000
Total energy: -1099.731889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1099.731889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1099.731889 (E_RNA)
where:
Base-Base interactions energy: -723.954
where: short stacking energy: -332.511
Base-Backbone interact. energy: 0.089
local terms energy: -375.867105
where:
bonds (distance) C4'-P energy: -67.282
bonds (distance) P-C4' energy: -65.198
flat angles C4'-P-C4' energy: -83.765
flat angles P-C4'-P energy: -46.374
tors. eta vs tors. theta energy: -113.248
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: 177
Temperature: 0.950000
Total energy: -1027.273203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1027.273203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1027.273203 (E_RNA)
where:
Base-Base interactions energy: -669.624
where: short stacking energy: -313.511
Base-Backbone interact. energy: -2.266
local terms energy: -355.382387
where:
bonds (distance) C4'-P energy: -68.389
bonds (distance) P-C4' energy: -68.393
flat angles C4'-P-C4' energy: -66.315
flat angles P-C4'-P energy: -47.131
tors. eta vs tors. theta energy: -105.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 177
Temperature: 1.000000
Total energy: -916.549346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -916.549346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -916.549346 (E_RNA)
where:
Base-Base interactions energy: -582.819
where: short stacking energy: -273.713
Base-Backbone interact. energy: -0.168
local terms energy: -333.561898
where:
bonds (distance) C4'-P energy: -67.729
bonds (distance) P-C4' energy: -71.991
flat angles C4'-P-C4' energy: -62.764
flat angles P-C4'-P energy: -42.979
tors. eta vs tors. theta energy: -88.099
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: 177
Temperature: 1.050000
Total energy: -850.815151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -850.815151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -850.815151 (E_RNA)
where:
Base-Base interactions energy: -529.671
where: short stacking energy: -213.812
Base-Backbone interact. energy: -0.906
local terms energy: -320.238121
where:
bonds (distance) C4'-P energy: -60.835
bonds (distance) P-C4' energy: -69.114
flat angles C4'-P-C4' energy: -73.195
flat angles P-C4'-P energy: -44.360
tors. eta vs tors. theta energy: -72.735
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 177
Temperature: 1.100000
Total energy: -615.018602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -615.018602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -615.018602 (E_RNA)
where:
Base-Base interactions energy: -338.492
where: short stacking energy: -177.279
Base-Backbone interact. energy: -1.293
local terms energy: -275.232721
where:
bonds (distance) C4'-P energy: -65.875
bonds (distance) P-C4' energy: -60.598
flat angles C4'-P-C4' energy: -65.545
flat angles P-C4'-P energy: -44.109
tors. eta vs tors. theta energy: -39.105
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: 6
=====================================
Write number: 177
Temperature: 1.150000
Total energy: -532.160562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.160562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.160562 (E_RNA)
where:
Base-Base interactions energy: -292.001
where: short stacking energy: -136.142
Base-Backbone interact. energy: 0.732
local terms energy: -240.892365
where:
bonds (distance) C4'-P energy: -56.628
bonds (distance) P-C4' energy: -71.751
flat angles C4'-P-C4' energy: -65.322
flat angles P-C4'-P energy: -37.962
tors. eta vs tors. theta energy: -9.229
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 177
Temperature: 1.200000
Total energy: -453.909662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -453.909662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -453.909662 (E_RNA)
where:
Base-Base interactions energy: -246.846
where: short stacking energy: -109.686
Base-Backbone interact. energy: -1.617
local terms energy: -205.445964
where:
bonds (distance) C4'-P energy: -47.030
bonds (distance) P-C4' energy: -67.091
flat angles C4'-P-C4' energy: -57.757
flat angles P-C4'-P energy: -25.003
tors. eta vs tors. theta energy: -8.565
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 177
Temperature: 1.250000
Total energy: -306.298682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.298682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.298682 (E_RNA)
where:
Base-Base interactions energy: -104.619
where: short stacking energy: -92.863
Base-Backbone interact. energy: 0.014
local terms energy: -201.693632
where:
bonds (distance) C4'-P energy: -61.834
bonds (distance) P-C4' energy: -64.006
flat angles C4'-P-C4' energy: -50.847
flat angles P-C4'-P energy: -29.011
tors. eta vs tors. theta energy: 4.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 177
Temperature: 1.300000
Total energy: -296.974032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.974032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.974032 (E_RNA)
where:
Base-Base interactions energy: -100.580
where: short stacking energy: -84.058
Base-Backbone interact. energy: 0.274
local terms energy: -196.668112
where:
bonds (distance) C4'-P energy: -62.384
bonds (distance) P-C4' energy: -66.346
flat angles C4'-P-C4' energy: -52.513
flat angles P-C4'-P energy: -36.378
tors. eta vs tors. theta energy: 20.953
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 177
Temperature: 1.350000
Total energy: -285.559185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.559185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.559185 (E_RNA)
where:
Base-Base interactions energy: -94.051
where: short stacking energy: -71.422
Base-Backbone interact. energy: -0.155
local terms energy: -191.352889
where:
bonds (distance) C4'-P energy: -55.673
bonds (distance) P-C4' energy: -57.299
flat angles C4'-P-C4' energy: -52.602
flat angles P-C4'-P energy: -30.122
tors. eta vs tors. theta energy: 4.343
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 178
Temperature: 0.900000
Total energy: -1082.643328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1082.643328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1082.643328 (E_RNA)
where:
Base-Base interactions energy: -709.504
where: short stacking energy: -337.404
Base-Backbone interact. energy: 0.576
local terms energy: -373.715989
where:
bonds (distance) C4'-P energy: -60.452
bonds (distance) P-C4' energy: -60.953
flat angles C4'-P-C4' energy: -86.461
flat angles P-C4'-P energy: -53.901
tors. eta vs tors. theta energy: -111.949
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: 1
=====================================
Write number: 178
Temperature: 0.950000
Total energy: -1048.095506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1048.095506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1048.095506 (E_RNA)
where:
Base-Base interactions energy: -679.789
where: short stacking energy: -292.841
Base-Backbone interact. energy: 1.107
local terms energy: -369.413352
where:
bonds (distance) C4'-P energy: -70.661
bonds (distance) P-C4' energy: -72.412
flat angles C4'-P-C4' energy: -78.560
flat angles P-C4'-P energy: -47.640
tors. eta vs tors. theta energy: -100.140
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 178
Temperature: 1.000000
Total energy: -907.069493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -907.069493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -907.069493 (E_RNA)
where:
Base-Base interactions energy: -587.168
where: short stacking energy: -278.256
Base-Backbone interact. energy: -0.818
local terms energy: -319.083344
where:
bonds (distance) C4'-P energy: -65.675
bonds (distance) P-C4' energy: -60.376
flat angles C4'-P-C4' energy: -62.970
flat angles P-C4'-P energy: -45.509
tors. eta vs tors. theta energy: -84.554
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 178
Temperature: 1.050000
Total energy: -862.869993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -862.869993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -862.869993 (E_RNA)
where:
Base-Base interactions energy: -552.779
where: short stacking energy: -243.178
Base-Backbone interact. energy: -0.912
local terms energy: -309.178209
where:
bonds (distance) C4'-P energy: -58.140
bonds (distance) P-C4' energy: -64.982
flat angles C4'-P-C4' energy: -61.854
flat angles P-C4'-P energy: -49.809
tors. eta vs tors. theta energy: -74.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 178
Temperature: 1.100000
Total energy: -632.969026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -632.969026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -632.969026 (E_RNA)
where:
Base-Base interactions energy: -368.018
where: short stacking energy: -183.691
Base-Backbone interact. energy: -0.854
local terms energy: -264.096890
where:
bonds (distance) C4'-P energy: -58.156
bonds (distance) P-C4' energy: -66.053
flat angles C4'-P-C4' energy: -63.247
flat angles P-C4'-P energy: -45.003
tors. eta vs tors. theta energy: -31.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 178
Temperature: 1.150000
Total energy: -543.320437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.320437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.320437 (E_RNA)
where:
Base-Base interactions energy: -323.984
where: short stacking energy: -133.627
Base-Backbone interact. energy: 0.632
local terms energy: -219.967806
where:
bonds (distance) C4'-P energy: -55.988
bonds (distance) P-C4' energy: -56.073
flat angles C4'-P-C4' energy: -63.353
flat angles P-C4'-P energy: -36.199
tors. eta vs tors. theta energy: -8.354
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: 7, replica: 10
=====================================
Write number: 178
Temperature: 1.200000
Total energy: -474.364165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -474.364165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -474.364165 (E_RNA)
where:
Base-Base interactions energy: -239.782
where: short stacking energy: -129.669
Base-Backbone interact. energy: -1.001
local terms energy: -233.581186
where:
bonds (distance) C4'-P energy: -62.627
bonds (distance) P-C4' energy: -64.165
flat angles C4'-P-C4' energy: -61.940
flat angles P-C4'-P energy: -39.722
tors. eta vs tors. theta energy: -5.128
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: 9
=====================================
Write number: 178
Temperature: 1.250000
Total energy: -315.000057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.000057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.000057 (E_RNA)
where:
Base-Base interactions energy: -78.642
where: short stacking energy: -74.405
Base-Backbone interact. energy: -0.977
local terms energy: -235.380453
where:
bonds (distance) C4'-P energy: -61.665
bonds (distance) P-C4' energy: -72.038
flat angles C4'-P-C4' energy: -54.704
flat angles P-C4'-P energy: -45.999
tors. eta vs tors. theta energy: -0.974
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: 8
=====================================
Write number: 178
Temperature: 1.300000
Total energy: -291.167479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.167479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.167479 (E_RNA)
where:
Base-Base interactions energy: -117.480
where: short stacking energy: -83.275
Base-Backbone interact. energy: -1.331
local terms energy: -172.356347
where:
bonds (distance) C4'-P energy: -62.622
bonds (distance) P-C4' energy: -51.095
flat angles C4'-P-C4' energy: -37.780
flat angles P-C4'-P energy: -29.010
tors. eta vs tors. theta energy: 8.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 178
Temperature: 1.350000
Total energy: -257.677449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.677449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.677449 (E_RNA)
where:
Base-Base interactions energy: -84.151
where: short stacking energy: -56.641
Base-Backbone interact. energy: -0.804
local terms energy: -172.722414
where:
bonds (distance) C4'-P energy: -52.949
bonds (distance) P-C4' energy: -57.136
flat angles C4'-P-C4' energy: -45.676
flat angles P-C4'-P energy: -38.159
tors. eta vs tors. theta energy: 21.198
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 179
Temperature: 0.900000
Total energy: -1105.750360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1105.750360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1105.750360 (E_RNA)
where:
Base-Base interactions energy: -744.235
where: short stacking energy: -329.206
Base-Backbone interact. energy: -1.845
local terms energy: -359.670854
where:
bonds (distance) C4'-P energy: -64.712
bonds (distance) P-C4' energy: -68.595
flat angles C4'-P-C4' energy: -76.672
flat angles P-C4'-P energy: -43.454
tors. eta vs tors. theta energy: -106.239
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 179
Temperature: 0.950000
Total energy: -1064.293083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1064.293083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1064.293083 (E_RNA)
where:
Base-Base interactions energy: -703.236
where: short stacking energy: -312.774
Base-Backbone interact. energy: -1.804
local terms energy: -359.253792
where:
bonds (distance) C4'-P energy: -67.141
bonds (distance) P-C4' energy: -62.688
flat angles C4'-P-C4' energy: -75.952
flat angles P-C4'-P energy: -48.475
tors. eta vs tors. theta energy: -104.997
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 179
Temperature: 1.000000
Total energy: -900.434990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -900.434990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -900.434990 (E_RNA)
where:
Base-Base interactions energy: -563.076
where: short stacking energy: -271.328
Base-Backbone interact. energy: 3.671
local terms energy: -341.030402
where:
bonds (distance) C4'-P energy: -72.591
bonds (distance) P-C4' energy: -69.539
flat angles C4'-P-C4' energy: -69.516
flat angles P-C4'-P energy: -43.518
tors. eta vs tors. theta energy: -85.866
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 179
Temperature: 1.050000
Total energy: -826.878056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -826.878056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -826.878056 (E_RNA)
where:
Base-Base interactions energy: -513.034
where: short stacking energy: -245.499
Base-Backbone interact. energy: -1.872
local terms energy: -311.972505
where:
bonds (distance) C4'-P energy: -67.215
bonds (distance) P-C4' energy: -69.139
flat angles C4'-P-C4' energy: -73.496
flat angles P-C4'-P energy: -35.106
tors. eta vs tors. theta energy: -67.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 179
Temperature: 1.100000
Total energy: -604.850997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -604.850997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -604.850997 (E_RNA)
where:
Base-Base interactions energy: -337.413
where: short stacking energy: -149.648
Base-Backbone interact. energy: 0.143
local terms energy: -267.580774
where:
bonds (distance) C4'-P energy: -62.776
bonds (distance) P-C4' energy: -73.184
flat angles C4'-P-C4' energy: -64.764
flat angles P-C4'-P energy: -42.679
tors. eta vs tors. theta energy: -24.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 179
Temperature: 1.150000
Total energy: -552.054132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.054132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.054132 (E_RNA)
where:
Base-Base interactions energy: -299.733
where: short stacking energy: -140.602
Base-Backbone interact. energy: -1.990
local terms energy: -250.330446
where:
bonds (distance) C4'-P energy: -64.841
bonds (distance) P-C4' energy: -69.998
flat angles C4'-P-C4' energy: -67.270
flat angles P-C4'-P energy: -25.858
tors. eta vs tors. theta energy: -22.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 179
Temperature: 1.200000
Total energy: -484.725500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -484.725500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -484.725500 (E_RNA)
where:
Base-Base interactions energy: -276.563
where: short stacking energy: -112.702
Base-Backbone interact. energy: -1.796
local terms energy: -206.367078
where:
bonds (distance) C4'-P energy: -44.378
bonds (distance) P-C4' energy: -60.598
flat angles C4'-P-C4' energy: -55.942
flat angles P-C4'-P energy: -36.814
tors. eta vs tors. theta energy: -8.635
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: 8
=====================================
Write number: 179
Temperature: 1.250000
Total energy: -303.176470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.176470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.176470 (E_RNA)
where:
Base-Base interactions energy: -111.941
where: short stacking energy: -92.992
Base-Backbone interact. energy: -1.288
local terms energy: -189.947004
where:
bonds (distance) C4'-P energy: -61.202
bonds (distance) P-C4' energy: -57.203
flat angles C4'-P-C4' energy: -57.509
flat angles P-C4'-P energy: -29.888
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: 9, replica: 9
=====================================
Write number: 179
Temperature: 1.300000
Total energy: -292.571571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.571571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.571571 (E_RNA)
where:
Base-Base interactions energy: -128.186
where: short stacking energy: -84.674
Base-Backbone interact. energy: 0.509
local terms energy: -164.894321
where:
bonds (distance) C4'-P energy: -44.779
bonds (distance) P-C4' energy: -60.592
flat angles C4'-P-C4' energy: -47.720
flat angles P-C4'-P energy: -22.398
tors. eta vs tors. theta energy: 10.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 179
Temperature: 1.350000
Total energy: -273.506221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.506221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.506221 (E_RNA)
where:
Base-Base interactions energy: -71.832
where: short stacking energy: -62.619
Base-Backbone interact. energy: -3.059
local terms energy: -198.615486
where:
bonds (distance) C4'-P energy: -70.045
bonds (distance) P-C4' energy: -59.204
flat angles C4'-P-C4' energy: -47.824
flat angles P-C4'-P energy: -33.812
tors. eta vs tors. theta energy: 12.270
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: 180
Temperature: 0.900000
Total energy: -1051.118769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1051.118769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1051.118769 (E_RNA)
where:
Base-Base interactions energy: -702.131
where: short stacking energy: -306.659
Base-Backbone interact. energy: -2.191
local terms energy: -346.795964
where:
bonds (distance) C4'-P energy: -59.979
bonds (distance) P-C4' energy: -65.868
flat angles C4'-P-C4' energy: -76.466
flat angles P-C4'-P energy: -42.255
tors. eta vs tors. theta energy: -102.229
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: 4
=====================================
Write number: 180
Temperature: 0.950000
Total energy: -1080.575711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1080.575711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1080.575711 (E_RNA)
where:
Base-Base interactions energy: -710.584
where: short stacking energy: -333.834
Base-Backbone interact. energy: 0.124
local terms energy: -370.115612
where:
bonds (distance) C4'-P energy: -71.038
bonds (distance) P-C4' energy: -66.607
flat angles C4'-P-C4' energy: -72.923
flat angles P-C4'-P energy: -46.727
tors. eta vs tors. theta energy: -112.821
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: 5
=====================================
Write number: 180
Temperature: 1.000000
Total energy: -888.751731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -888.751731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -888.751731 (E_RNA)
where:
Base-Base interactions energy: -561.924
where: short stacking energy: -271.003
Base-Backbone interact. energy: -1.588
local terms energy: -325.239694
where:
bonds (distance) C4'-P energy: -69.128
bonds (distance) P-C4' energy: -60.773
flat angles C4'-P-C4' energy: -74.420
flat angles P-C4'-P energy: -41.943
tors. eta vs tors. theta energy: -78.975
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: 4, replica: 3
=====================================
Write number: 180
Temperature: 1.050000
Total energy: -774.375306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -774.375306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -774.375306 (E_RNA)
where:
Base-Base interactions energy: -499.261
where: short stacking energy: -224.423
Base-Backbone interact. energy: -0.899
local terms energy: -274.215843
where:
bonds (distance) C4'-P energy: -62.352
bonds (distance) P-C4' energy: -68.498
flat angles C4'-P-C4' energy: -54.155
flat angles P-C4'-P energy: -37.055
tors. eta vs tors. theta energy: -52.157
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: 2
=====================================
Write number: 180
Temperature: 1.100000
Total energy: -602.642671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -602.642671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -602.642671 (E_RNA)
where:
Base-Base interactions energy: -356.329
where: short stacking energy: -151.840
Base-Backbone interact. energy: -1.003
local terms energy: -245.310076
where:
bonds (distance) C4'-P energy: -64.467
bonds (distance) P-C4' energy: -63.169
flat angles C4'-P-C4' energy: -59.630
flat angles P-C4'-P energy: -37.234
tors. eta vs tors. theta energy: -20.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 180
Temperature: 1.150000
Total energy: -574.326014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -574.326014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -574.326014 (E_RNA)
where:
Base-Base interactions energy: -333.843
where: short stacking energy: -164.118
Base-Backbone interact. energy: -2.523
local terms energy: -237.960343
where:
bonds (distance) C4'-P energy: -58.564
bonds (distance) P-C4' energy: -63.883
flat angles C4'-P-C4' energy: -51.669
flat angles P-C4'-P energy: -38.036
tors. eta vs tors. theta energy: -25.808
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: 7, replica: 10
=====================================
Write number: 180
Temperature: 1.200000
Total energy: -425.030096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -425.030096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -425.030096 (E_RNA)
where:
Base-Base interactions energy: -225.130
where: short stacking energy: -113.089
Base-Backbone interact. energy: 2.618
local terms energy: -202.518795
where:
bonds (distance) C4'-P energy: -49.943
bonds (distance) P-C4' energy: -58.122
flat angles C4'-P-C4' energy: -58.052
flat angles P-C4'-P energy: -32.939
tors. eta vs tors. theta energy: -3.463
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 180
Temperature: 1.250000
Total energy: -350.494664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.494664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.494664 (E_RNA)
where:
Base-Base interactions energy: -132.573
where: short stacking energy: -105.212
Base-Backbone interact. energy: -2.199
local terms energy: -215.722357
where:
bonds (distance) C4'-P energy: -61.561
bonds (distance) P-C4' energy: -74.362
flat angles C4'-P-C4' energy: -40.878
flat angles P-C4'-P energy: -33.983
tors. eta vs tors. theta energy: -4.939
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 180
Temperature: 1.300000
Total energy: -276.899084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.899084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.899084 (E_RNA)
where:
Base-Base interactions energy: -87.797
where: short stacking energy: -65.394
Base-Backbone interact. energy: 4.955
local terms energy: -194.057614
where:
bonds (distance) C4'-P energy: -54.635
bonds (distance) P-C4' energy: -67.475
flat angles C4'-P-C4' energy: -53.251
flat angles P-C4'-P energy: -35.443
tors. eta vs tors. theta energy: 16.747
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: 10, replica: 9
=====================================
Write number: 180
Temperature: 1.350000
Total energy: -291.527067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.527067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.527067 (E_RNA)
where:
Base-Base interactions energy: -102.232
where: short stacking energy: -80.339
Base-Backbone interact. energy: 2.349
local terms energy: -191.644748
where:
bonds (distance) C4'-P energy: -54.964
bonds (distance) P-C4' energy: -66.599
flat angles C4'-P-C4' energy: -45.445
flat angles P-C4'-P energy: -29.207
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: 1, replica: 1
=====================================
Write number: 181
Temperature: 0.900000
Total energy: -1075.194951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1075.194951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1075.194951 (E_RNA)
where:
Base-Base interactions energy: -707.609
where: short stacking energy: -315.413
Base-Backbone interact. energy: 0.961
local terms energy: -368.546691
where:
bonds (distance) C4'-P energy: -64.469
bonds (distance) P-C4' energy: -76.884
flat angles C4'-P-C4' energy: -76.713
flat angles P-C4'-P energy: -45.262
tors. eta vs tors. theta energy: -105.220
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: 2, replica: 4
=====================================
Write number: 181
Temperature: 0.950000
Total energy: -1038.705857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1038.705857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1038.705857 (E_RNA)
where:
Base-Base interactions energy: -685.168
where: short stacking energy: -305.120
Base-Backbone interact. energy: -1.374
local terms energy: -352.164013
where:
bonds (distance) C4'-P energy: -73.320
bonds (distance) P-C4' energy: -64.719
flat angles C4'-P-C4' energy: -70.392
flat angles P-C4'-P energy: -44.109
tors. eta vs tors. theta energy: -99.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 181
Temperature: 1.000000
Total energy: -906.994644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -906.994644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -906.994644 (E_RNA)
where:
Base-Base interactions energy: -576.971
where: short stacking energy: -277.691
Base-Backbone interact. energy: -1.747
local terms energy: -328.277329
where:
bonds (distance) C4'-P energy: -70.126
bonds (distance) P-C4' energy: -65.652
flat angles C4'-P-C4' energy: -77.341
flat angles P-C4'-P energy: -32.425
tors. eta vs tors. theta energy: -82.734
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: 3
=====================================
Write number: 181
Temperature: 1.050000
Total energy: -770.099900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -770.099900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -770.099900 (E_RNA)
where:
Base-Base interactions energy: -463.620
where: short stacking energy: -210.742
Base-Backbone interact. energy: -1.551
local terms energy: -304.928830
where:
bonds (distance) C4'-P energy: -65.870
bonds (distance) P-C4' energy: -64.442
flat angles C4'-P-C4' energy: -70.470
flat angles P-C4'-P energy: -46.560
tors. eta vs tors. theta energy: -57.587
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 181
Temperature: 1.100000
Total energy: -604.039016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -604.039016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -604.039016 (E_RNA)
where:
Base-Base interactions energy: -321.076
where: short stacking energy: -179.484
Base-Backbone interact. energy: 0.244
local terms energy: -283.206484
where:
bonds (distance) C4'-P energy: -63.046
bonds (distance) P-C4' energy: -76.533
flat angles C4'-P-C4' energy: -71.279
flat angles P-C4'-P energy: -43.772
tors. eta vs tors. theta energy: -28.576
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: 6
=====================================
Write number: 181
Temperature: 1.150000
Total energy: -593.142194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -593.142194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -593.142194 (E_RNA)
where:
Base-Base interactions energy: -330.781
where: short stacking energy: -152.448
Base-Backbone interact. energy: -0.476
local terms energy: -261.885498
where:
bonds (distance) C4'-P energy: -69.177
bonds (distance) P-C4' energy: -66.707
flat angles C4'-P-C4' energy: -62.134
flat angles P-C4'-P energy: -36.492
tors. eta vs tors. theta energy: -27.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 181
Temperature: 1.200000
Total energy: -420.268000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.268000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -420.268000 (E_RNA)
where:
Base-Base interactions energy: -207.970
where: short stacking energy: -90.445
Base-Backbone interact. energy: 0.888
local terms energy: -213.185914
where:
bonds (distance) C4'-P energy: -55.212
bonds (distance) P-C4' energy: -70.093
flat angles C4'-P-C4' energy: -57.710
flat angles P-C4'-P energy: -27.638
tors. eta vs tors. theta energy: -2.532
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: 7
=====================================
Write number: 181
Temperature: 1.250000
Total energy: -305.436693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.436693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.436693 (E_RNA)
where:
Base-Base interactions energy: -102.848
where: short stacking energy: -81.940
Base-Backbone interact. energy: 3.023
local terms energy: -205.611590
where:
bonds (distance) C4'-P energy: -72.650
bonds (distance) P-C4' energy: -74.366
flat angles C4'-P-C4' energy: -43.856
flat angles P-C4'-P energy: -30.515
tors. eta vs tors. theta energy: 15.776
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 181
Temperature: 1.300000
Total energy: -325.091083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.091083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.091083 (E_RNA)
where:
Base-Base interactions energy: -123.240
where: short stacking energy: -71.793
Base-Backbone interact. energy: -1.871
local terms energy: -199.979905
where:
bonds (distance) C4'-P energy: -67.417
bonds (distance) P-C4' energy: -52.647
flat angles C4'-P-C4' energy: -57.827
flat angles P-C4'-P energy: -31.181
tors. eta vs tors. theta energy: 9.092
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 181
Temperature: 1.350000
Total energy: -303.851094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.851094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.851094 (E_RNA)
where:
Base-Base interactions energy: -106.803
where: short stacking energy: -60.407
Base-Backbone interact. energy: 8.320
local terms energy: -205.368120
where:
bonds (distance) C4'-P energy: -52.566
bonds (distance) P-C4' energy: -71.251
flat angles C4'-P-C4' energy: -49.244
flat angles P-C4'-P energy: -31.581
tors. eta vs tors. theta energy: -0.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 182
Temperature: 0.900000
Total energy: -1087.314910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1087.314910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1087.314910 (E_RNA)
where:
Base-Base interactions energy: -744.574
where: short stacking energy: -311.642
Base-Backbone interact. energy: 4.118
local terms energy: -346.858355
where:
bonds (distance) C4'-P energy: -62.218
bonds (distance) P-C4' energy: -63.738
flat angles C4'-P-C4' energy: -72.148
flat angles P-C4'-P energy: -48.611
tors. eta vs tors. theta energy: -100.143
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: 4
=====================================
Write number: 182
Temperature: 0.950000
Total energy: -1070.014755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1070.014755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1070.014755 (E_RNA)
where:
Base-Base interactions energy: -709.744
where: short stacking energy: -308.887
Base-Backbone interact. energy: -0.910
local terms energy: -359.360638
where:
bonds (distance) C4'-P energy: -70.569
bonds (distance) P-C4' energy: -60.003
flat angles C4'-P-C4' energy: -74.636
flat angles P-C4'-P energy: -50.829
tors. eta vs tors. theta energy: -103.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 182
Temperature: 1.000000
Total energy: -916.815008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -916.815008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -916.815008 (E_RNA)
where:
Base-Base interactions energy: -598.873
where: short stacking energy: -272.755
Base-Backbone interact. energy: 0.789
local terms energy: -318.731522
where:
bonds (distance) C4'-P energy: -57.575
bonds (distance) P-C4' energy: -60.959
flat angles C4'-P-C4' energy: -71.830
flat angles P-C4'-P energy: -40.108
tors. eta vs tors. theta energy: -88.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 182
Temperature: 1.050000
Total energy: -744.723257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -744.723257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -744.723257 (E_RNA)
where:
Base-Base interactions energy: -446.548
where: short stacking energy: -202.987
Base-Backbone interact. energy: -2.605
local terms energy: -295.570623
where:
bonds (distance) C4'-P energy: -72.709
bonds (distance) P-C4' energy: -68.889
flat angles C4'-P-C4' energy: -64.672
flat angles P-C4'-P energy: -46.095
tors. eta vs tors. theta energy: -43.205
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: 5, replica: 2
=====================================
Write number: 182
Temperature: 1.100000
Total energy: -594.507293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -594.507293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -594.507293 (E_RNA)
where:
Base-Base interactions energy: -363.540
where: short stacking energy: -164.961
Base-Backbone interact. energy: -1.838
local terms energy: -229.129703
where:
bonds (distance) C4'-P energy: -57.232
bonds (distance) P-C4' energy: -52.782
flat angles C4'-P-C4' energy: -61.205
flat angles P-C4'-P energy: -33.190
tors. eta vs tors. theta energy: -24.721
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 182
Temperature: 1.150000
Total energy: -567.451206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -567.451206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -567.451206 (E_RNA)
where:
Base-Base interactions energy: -324.441
where: short stacking energy: -163.511
Base-Backbone interact. energy: 1.902
local terms energy: -244.911959
where:
bonds (distance) C4'-P energy: -54.603
bonds (distance) P-C4' energy: -55.337
flat angles C4'-P-C4' energy: -54.204
flat angles P-C4'-P energy: -39.234
tors. eta vs tors. theta energy: -41.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 182
Temperature: 1.200000
Total energy: -455.087752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -455.087752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -455.087752 (E_RNA)
where:
Base-Base interactions energy: -215.392
where: short stacking energy: -127.448
Base-Backbone interact. energy: -1.940
local terms energy: -237.755212
where:
bonds (distance) C4'-P energy: -50.673
bonds (distance) P-C4' energy: -71.208
flat angles C4'-P-C4' energy: -56.676
flat angles P-C4'-P energy: -37.565
tors. eta vs tors. theta energy: -21.633
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: 8, replica: 7
=====================================
Write number: 182
Temperature: 1.250000
Total energy: -334.721991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.721991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.721991 (E_RNA)
where:
Base-Base interactions energy: -128.836
where: short stacking energy: -88.239
Base-Backbone interact. energy: 1.523
local terms energy: -207.409183
where:
bonds (distance) C4'-P energy: -56.075
bonds (distance) P-C4' energy: -60.095
flat angles C4'-P-C4' energy: -58.090
flat angles P-C4'-P energy: -33.272
tors. eta vs tors. theta energy: 0.123
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: 8
=====================================
Write number: 182
Temperature: 1.300000
Total energy: -318.426145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.426145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.426145 (E_RNA)
where:
Base-Base interactions energy: -127.858
where: short stacking energy: -81.514
Base-Backbone interact. energy: 0.650
local terms energy: -191.218784
where:
bonds (distance) C4'-P energy: -53.018
bonds (distance) P-C4' energy: -63.805
flat angles C4'-P-C4' energy: -52.012
flat angles P-C4'-P energy: -18.954
tors. eta vs tors. theta energy: -3.430
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 182
Temperature: 1.350000
Total energy: -277.049351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.049351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.049351 (E_RNA)
where:
Base-Base interactions energy: -104.580
where: short stacking energy: -79.868
Base-Backbone interact. energy: 3.896
local terms energy: -176.365543
where:
bonds (distance) C4'-P energy: -55.656
bonds (distance) P-C4' energy: -63.804
flat angles C4'-P-C4' energy: -48.544
flat angles P-C4'-P energy: -22.033
tors. eta vs tors. theta energy: 13.671
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: 1, replica: 1
=====================================
Write number: 183
Temperature: 0.900000
Total energy: -1095.745862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1095.745862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1095.745862 (E_RNA)
where:
Base-Base interactions energy: -746.477
where: short stacking energy: -335.085
Base-Backbone interact. energy: 6.600
local terms energy: -355.868826
where:
bonds (distance) C4'-P energy: -57.743
bonds (distance) P-C4' energy: -72.866
flat angles C4'-P-C4' energy: -77.311
flat angles P-C4'-P energy: -45.072
tors. eta vs tors. theta energy: -102.876
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 183
Temperature: 0.950000
Total energy: -1057.485762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1057.485762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1057.485762 (E_RNA)
where:
Base-Base interactions energy: -681.976
where: short stacking energy: -302.557
Base-Backbone interact. energy: -1.218
local terms energy: -374.292293
where:
bonds (distance) C4'-P energy: -71.555
bonds (distance) P-C4' energy: -70.607
flat angles C4'-P-C4' energy: -80.722
flat angles P-C4'-P energy: -51.986
tors. eta vs tors. theta energy: -99.423
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 183
Temperature: 1.000000
Total energy: -874.051075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -874.051075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -874.051075 (E_RNA)
where:
Base-Base interactions energy: -563.960
where: short stacking energy: -271.029
Base-Backbone interact. energy: 0.245
local terms energy: -310.336005
where:
bonds (distance) C4'-P energy: -68.304
bonds (distance) P-C4' energy: -59.582
flat angles C4'-P-C4' energy: -70.057
flat angles P-C4'-P energy: -31.156
tors. eta vs tors. theta energy: -81.237
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 183
Temperature: 1.050000
Total energy: -762.342237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -762.342237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -762.342237 (E_RNA)
where:
Base-Base interactions energy: -470.353
where: short stacking energy: -216.922
Base-Backbone interact. energy: -1.524
local terms energy: -290.465901
where:
bonds (distance) C4'-P energy: -54.812
bonds (distance) P-C4' energy: -67.854
flat angles C4'-P-C4' energy: -64.910
flat angles P-C4'-P energy: -44.005
tors. eta vs tors. theta energy: -58.884
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: 2
=====================================
Write number: 183
Temperature: 1.100000
Total energy: -618.737762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -618.737762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -618.737762 (E_RNA)
where:
Base-Base interactions energy: -378.471
where: short stacking energy: -161.532
Base-Backbone interact. energy: -1.452
local terms energy: -238.815158
where:
bonds (distance) C4'-P energy: -61.571
bonds (distance) P-C4' energy: -60.982
flat angles C4'-P-C4' energy: -68.519
flat angles P-C4'-P energy: -21.500
tors. eta vs tors. theta energy: -26.243
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 183
Temperature: 1.150000
Total energy: -519.038480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.038480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.038480 (E_RNA)
where:
Base-Base interactions energy: -277.705
where: short stacking energy: -128.611
Base-Backbone interact. energy: 2.584
local terms energy: -243.917220
where:
bonds (distance) C4'-P energy: -61.146
bonds (distance) P-C4' energy: -66.724
flat angles C4'-P-C4' energy: -53.686
flat angles P-C4'-P energy: -35.513
tors. eta vs tors. theta energy: -26.848
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 183
Temperature: 1.200000
Total energy: -531.135191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.135191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.135191 (E_RNA)
where:
Base-Base interactions energy: -289.084
where: short stacking energy: -150.318
Base-Backbone interact. energy: -0.551
local terms energy: -241.499532
where:
bonds (distance) C4'-P energy: -63.364
bonds (distance) P-C4' energy: -61.921
flat angles C4'-P-C4' energy: -62.538
flat angles P-C4'-P energy: -33.843
tors. eta vs tors. theta energy: -19.834
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 183
Temperature: 1.250000
Total energy: -308.308484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.308484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.308484 (E_RNA)
where:
Base-Base interactions energy: -121.696
where: short stacking energy: -95.511
Base-Backbone interact. energy: 0.162
local terms energy: -186.775257
where:
bonds (distance) C4'-P energy: -49.661
bonds (distance) P-C4' energy: -59.572
flat angles C4'-P-C4' energy: -61.420
flat angles P-C4'-P energy: -19.384
tors. eta vs tors. theta energy: 3.261
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 183
Temperature: 1.300000
Total energy: -301.593738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.593738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.593738 (E_RNA)
where:
Base-Base interactions energy: -118.762
where: short stacking energy: -85.103
Base-Backbone interact. energy: 0.119
local terms energy: -182.950128
where:
bonds (distance) C4'-P energy: -63.528
bonds (distance) P-C4' energy: -58.826
flat angles C4'-P-C4' energy: -42.466
flat angles P-C4'-P energy: -26.769
tors. eta vs tors. theta energy: 8.638
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 183
Temperature: 1.350000
Total energy: -295.031694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.031694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.031694 (E_RNA)
where:
Base-Base interactions energy: -113.603
where: short stacking energy: -81.253
Base-Backbone interact. energy: 3.627
local terms energy: -185.055949
where:
bonds (distance) C4'-P energy: -60.791
bonds (distance) P-C4' energy: -62.136
flat angles C4'-P-C4' energy: -47.796
flat angles P-C4'-P energy: -35.018
tors. eta vs tors. theta energy: 20.685
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: 1
=====================================
Write number: 184
Temperature: 0.900000
Total energy: -1070.868608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1070.868608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1070.868608 (E_RNA)
where:
Base-Base interactions energy: -700.354
where: short stacking energy: -317.901
Base-Backbone interact. energy: 0.166
local terms energy: -370.680708
where:
bonds (distance) C4'-P energy: -76.598
bonds (distance) P-C4' energy: -70.608
flat angles C4'-P-C4' energy: -75.552
flat angles P-C4'-P energy: -46.753
tors. eta vs tors. theta energy: -101.169
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 184
Temperature: 0.950000
Total energy: -1046.279873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1046.279873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1046.279873 (E_RNA)
where:
Base-Base interactions energy: -669.343
where: short stacking energy: -319.331
Base-Backbone interact. energy: -1.625
local terms energy: -375.311855
where:
bonds (distance) C4'-P energy: -75.549
bonds (distance) P-C4' energy: -66.313
flat angles C4'-P-C4' energy: -80.506
flat angles P-C4'-P energy: -44.496
tors. eta vs tors. theta energy: -108.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 184
Temperature: 1.000000
Total energy: -874.058716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -874.058716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -874.058716 (E_RNA)
where:
Base-Base interactions energy: -541.632
where: short stacking energy: -257.125
Base-Backbone interact. energy: -1.733
local terms energy: -330.692746
where:
bonds (distance) C4'-P energy: -68.729
bonds (distance) P-C4' energy: -70.274
flat angles C4'-P-C4' energy: -68.503
flat angles P-C4'-P energy: -52.765
tors. eta vs tors. theta energy: -70.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 184
Temperature: 1.050000
Total energy: -757.709836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -757.709836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -757.709836 (E_RNA)
where:
Base-Base interactions energy: -475.786
where: short stacking energy: -211.183
Base-Backbone interact. energy: -3.357
local terms energy: -278.566804
where:
bonds (distance) C4'-P energy: -65.011
bonds (distance) P-C4' energy: -63.668
flat angles C4'-P-C4' energy: -59.025
flat angles P-C4'-P energy: -43.261
tors. eta vs tors. theta energy: -47.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 184
Temperature: 1.100000
Total energy: -632.441424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -632.441424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -632.441424 (E_RNA)
where:
Base-Base interactions energy: -369.281
where: short stacking energy: -189.742
Base-Backbone interact. energy: -0.583
local terms energy: -262.577261
where:
bonds (distance) C4'-P energy: -58.919
bonds (distance) P-C4' energy: -68.037
flat angles C4'-P-C4' energy: -59.041
flat angles P-C4'-P energy: -35.900
tors. eta vs tors. theta energy: -40.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 184
Temperature: 1.150000
Total energy: -523.909816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.909816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.909816 (E_RNA)
where:
Base-Base interactions energy: -294.034
where: short stacking energy: -122.911
Base-Backbone interact. energy: -2.254
local terms energy: -227.621996
where:
bonds (distance) C4'-P energy: -57.650
bonds (distance) P-C4' energy: -57.423
flat angles C4'-P-C4' energy: -54.664
flat angles P-C4'-P energy: -39.501
tors. eta vs tors. theta energy: -18.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 184
Temperature: 1.200000
Total energy: -523.040517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.040517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.040517 (E_RNA)
where:
Base-Base interactions energy: -279.452
where: short stacking energy: -130.879
Base-Backbone interact. energy: -3.357
local terms energy: -240.231142
where:
bonds (distance) C4'-P energy: -54.858
bonds (distance) P-C4' energy: -72.979
flat angles C4'-P-C4' energy: -62.343
flat angles P-C4'-P energy: -42.280
tors. eta vs tors. theta energy: -7.771
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: 8
=====================================
Write number: 184
Temperature: 1.250000
Total energy: -318.243541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.243541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.243541 (E_RNA)
where:
Base-Base interactions energy: -109.713
where: short stacking energy: -93.774
Base-Backbone interact. energy: -1.410
local terms energy: -207.120368
where:
bonds (distance) C4'-P energy: -60.573
bonds (distance) P-C4' energy: -52.138
flat angles C4'-P-C4' energy: -66.591
flat angles P-C4'-P energy: -29.306
tors. eta vs tors. theta energy: 1.488
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 184
Temperature: 1.300000
Total energy: -305.955495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.955495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.955495 (E_RNA)
where:
Base-Base interactions energy: -107.446
where: short stacking energy: -70.215
Base-Backbone interact. energy: -1.960
local terms energy: -196.550027
where:
bonds (distance) C4'-P energy: -56.119
bonds (distance) P-C4' energy: -62.230
flat angles C4'-P-C4' energy: -46.682
flat angles P-C4'-P energy: -29.163
tors. eta vs tors. theta energy: -2.356
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 184
Temperature: 1.350000
Total energy: -264.892240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.892240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.892240 (E_RNA)
where:
Base-Base interactions energy: -89.757
where: short stacking energy: -77.633
Base-Backbone interact. energy: 1.658
local terms energy: -176.793499
where:
bonds (distance) C4'-P energy: -59.159
bonds (distance) P-C4' energy: -62.624
flat angles C4'-P-C4' energy: -40.915
flat angles P-C4'-P energy: -21.924
tors. eta vs tors. theta energy: 7.829
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: 1, replica: 1
=====================================
Write number: 185
Temperature: 0.900000
Total energy: -1068.466009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1068.466009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1068.466009 (E_RNA)
where:
Base-Base interactions energy: -697.260
where: short stacking energy: -311.871
Base-Backbone interact. energy: -0.394
local terms energy: -370.812208
where:
bonds (distance) C4'-P energy: -77.008
bonds (distance) P-C4' energy: -67.685
flat angles C4'-P-C4' energy: -71.897
flat angles P-C4'-P energy: -48.926
tors. eta vs tors. theta energy: -105.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 185
Temperature: 0.950000
Total energy: -1024.728173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1024.728173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1024.728173 (E_RNA)
where:
Base-Base interactions energy: -670.400
where: short stacking energy: -319.782
Base-Backbone interact. energy: -0.062
local terms energy: -354.266851
where:
bonds (distance) C4'-P energy: -60.372
bonds (distance) P-C4' energy: -75.631
flat angles C4'-P-C4' energy: -74.424
flat angles P-C4'-P energy: -42.497
tors. eta vs tors. theta energy: -101.342
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 185
Temperature: 1.000000
Total energy: -885.070831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -885.070831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -885.070831 (E_RNA)
where:
Base-Base interactions energy: -564.223
where: short stacking energy: -262.043
Base-Backbone interact. energy: -3.442
local terms energy: -317.405254
where:
bonds (distance) C4'-P energy: -64.579
bonds (distance) P-C4' energy: -76.154
flat angles C4'-P-C4' energy: -61.690
flat angles P-C4'-P energy: -38.760
tors. eta vs tors. theta energy: -76.222
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 185
Temperature: 1.050000
Total energy: -774.461302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -774.461302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -774.461302 (E_RNA)
where:
Base-Base interactions energy: -490.025
where: short stacking energy: -217.123
Base-Backbone interact. energy: 0.203
local terms energy: -284.639677
where:
bonds (distance) C4'-P energy: -68.694
bonds (distance) P-C4' energy: -57.309
flat angles C4'-P-C4' energy: -65.369
flat angles P-C4'-P energy: -36.591
tors. eta vs tors. theta energy: -56.677
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: 5, replica: 2
=====================================
Write number: 185
Temperature: 1.100000
Total energy: -663.260690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -663.260690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -663.260690 (E_RNA)
where:
Base-Base interactions energy: -385.255
where: short stacking energy: -193.468
Base-Backbone interact. energy: -1.114
local terms energy: -276.891239
where:
bonds (distance) C4'-P energy: -60.499
bonds (distance) P-C4' energy: -64.348
flat angles C4'-P-C4' energy: -67.131
flat angles P-C4'-P energy: -43.872
tors. eta vs tors. theta energy: -41.041
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: 6
=====================================
Write number: 185
Temperature: 1.150000
Total energy: -507.168875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.168875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.168875 (E_RNA)
where:
Base-Base interactions energy: -271.115
where: short stacking energy: -153.428
Base-Backbone interact. energy: -0.796
local terms energy: -235.257396
where:
bonds (distance) C4'-P energy: -51.552
bonds (distance) P-C4' energy: -63.793
flat angles C4'-P-C4' energy: -58.266
flat angles P-C4'-P energy: -35.245
tors. eta vs tors. theta energy: -26.402
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: 10
=====================================
Write number: 185
Temperature: 1.200000
Total energy: -417.350207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.350207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.350207 (E_RNA)
where:
Base-Base interactions energy: -212.246
where: short stacking energy: -113.157
Base-Backbone interact. energy: 0.773
local terms energy: -205.877140
where:
bonds (distance) C4'-P energy: -57.567
bonds (distance) P-C4' energy: -57.609
flat angles C4'-P-C4' energy: -45.444
flat angles P-C4'-P energy: -40.193
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: 8, replica: 8
=====================================
Write number: 185
Temperature: 1.250000
Total energy: -334.723042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.723042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.723042 (E_RNA)
where:
Base-Base interactions energy: -141.084
where: short stacking energy: -118.273
Base-Backbone interact. energy: 0.508
local terms energy: -194.147447
where:
bonds (distance) C4'-P energy: -48.084
bonds (distance) P-C4' energy: -62.831
flat angles C4'-P-C4' energy: -50.532
flat angles P-C4'-P energy: -28.956
tors. eta vs tors. theta energy: -3.745
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 185
Temperature: 1.300000
Total energy: -287.676577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.676577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.676577 (E_RNA)
where:
Base-Base interactions energy: -97.776
where: short stacking energy: -73.157
Base-Backbone interact. energy: -2.308
local terms energy: -187.593195
where:
bonds (distance) C4'-P energy: -65.050
bonds (distance) P-C4' energy: -55.727
flat angles C4'-P-C4' energy: -46.387
flat angles P-C4'-P energy: -30.582
tors. eta vs tors. theta energy: 10.153
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 185
Temperature: 1.350000
Total energy: -269.414340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.414340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.414340 (E_RNA)
where:
Base-Base interactions energy: -91.567
where: short stacking energy: -80.477
Base-Backbone interact. energy: 1.383
local terms energy: -179.230314
where:
bonds (distance) C4'-P energy: -52.692
bonds (distance) P-C4' energy: -63.391
flat angles C4'-P-C4' energy: -56.971
flat angles P-C4'-P energy: -17.088
tors. eta vs tors. theta energy: 10.912
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: 1
=====================================
Write number: 186
Temperature: 0.900000
Total energy: -1082.136364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1082.136364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1082.136364 (E_RNA)
where:
Base-Base interactions energy: -727.383
where: short stacking energy: -308.843
Base-Backbone interact. energy: -1.605
local terms energy: -353.147896
where:
bonds (distance) C4'-P energy: -56.489
bonds (distance) P-C4' energy: -73.227
flat angles C4'-P-C4' energy: -79.702
flat angles P-C4'-P energy: -39.220
tors. eta vs tors. theta energy: -104.510
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 186
Temperature: 0.950000
Total energy: -997.667257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -997.667257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -997.667257 (E_RNA)
where:
Base-Base interactions energy: -665.923
where: short stacking energy: -321.508
Base-Backbone interact. energy: 0.179
local terms energy: -331.923430
where:
bonds (distance) C4'-P energy: -60.315
bonds (distance) P-C4' energy: -65.645
flat angles C4'-P-C4' energy: -63.653
flat angles P-C4'-P energy: -49.607
tors. eta vs tors. theta energy: -92.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 186
Temperature: 1.000000
Total energy: -875.580053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -875.580053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -875.580053 (E_RNA)
where:
Base-Base interactions energy: -559.950
where: short stacking energy: -262.568
Base-Backbone interact. energy: 2.519
local terms energy: -318.149525
where:
bonds (distance) C4'-P energy: -63.000
bonds (distance) P-C4' energy: -58.672
flat angles C4'-P-C4' energy: -69.652
flat angles P-C4'-P energy: -43.679
tors. eta vs tors. theta energy: -83.147
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: 3
=====================================
Write number: 186
Temperature: 1.050000
Total energy: -741.668883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -741.668883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -741.668883 (E_RNA)
where:
Base-Base interactions energy: -449.268
where: short stacking energy: -211.354
Base-Backbone interact. energy: -3.069
local terms energy: -289.331263
where:
bonds (distance) C4'-P energy: -70.007
bonds (distance) P-C4' energy: -64.263
flat angles C4'-P-C4' energy: -63.747
flat angles P-C4'-P energy: -35.829
tors. eta vs tors. theta energy: -55.486
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 186
Temperature: 1.100000
Total energy: -671.610198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -671.610198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -671.610198 (E_RNA)
where:
Base-Base interactions energy: -410.425
where: short stacking energy: -224.458
Base-Backbone interact. energy: 0.890
local terms energy: -262.075143
where:
bonds (distance) C4'-P energy: -44.593
bonds (distance) P-C4' energy: -65.477
flat angles C4'-P-C4' energy: -70.808
flat angles P-C4'-P energy: -36.851
tors. eta vs tors. theta energy: -44.346
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: 6
=====================================
Write number: 186
Temperature: 1.150000
Total energy: -514.651051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.651051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.651051 (E_RNA)
where:
Base-Base interactions energy: -258.196
where: short stacking energy: -131.622
Base-Backbone interact. energy: -2.237
local terms energy: -254.217749
where:
bonds (distance) C4'-P energy: -66.243
bonds (distance) P-C4' energy: -69.896
flat angles C4'-P-C4' energy: -57.360
flat angles P-C4'-P energy: -41.409
tors. eta vs tors. theta energy: -19.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 186
Temperature: 1.200000
Total energy: -441.040560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -441.040560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -441.040560 (E_RNA)
where:
Base-Base interactions energy: -221.006
where: short stacking energy: -127.063
Base-Backbone interact. energy: -1.245
local terms energy: -218.789712
where:
bonds (distance) C4'-P energy: -41.453
bonds (distance) P-C4' energy: -69.415
flat angles C4'-P-C4' energy: -56.910
flat angles P-C4'-P energy: -40.794
tors. eta vs tors. theta energy: -10.218
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: 8
=====================================
Write number: 186
Temperature: 1.250000
Total energy: -304.194372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.194372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.194372 (E_RNA)
where:
Base-Base interactions energy: -104.189
where: short stacking energy: -82.031
Base-Backbone interact. energy: -1.049
local terms energy: -198.956783
where:
bonds (distance) C4'-P energy: -62.049
bonds (distance) P-C4' energy: -56.934
flat angles C4'-P-C4' energy: -50.638
flat angles P-C4'-P energy: -37.331
tors. eta vs tors. theta energy: 7.996
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 186
Temperature: 1.300000
Total energy: -285.621149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.621149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.621149 (E_RNA)
where:
Base-Base interactions energy: -104.021
where: short stacking energy: -83.151
Base-Backbone interact. energy: 1.357
local terms energy: -182.957466
where:
bonds (distance) C4'-P energy: -51.170
bonds (distance) P-C4' energy: -62.510
flat angles C4'-P-C4' energy: -49.218
flat angles P-C4'-P energy: -29.194
tors. eta vs tors. theta energy: 9.134
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: 186
Temperature: 1.350000
Total energy: -273.542592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.542592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.542592 (E_RNA)
where:
Base-Base interactions energy: -77.754
where: short stacking energy: -51.867
Base-Backbone interact. energy: 5.753
local terms energy: -201.541369
where:
bonds (distance) C4'-P energy: -56.207
bonds (distance) P-C4' energy: -64.860
flat angles C4'-P-C4' energy: -47.055
flat angles P-C4'-P energy: -40.729
tors. eta vs tors. theta energy: 7.310
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: 1
=====================================
Write number: 187
Temperature: 0.900000
Total energy: -1061.546380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1061.546380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1061.546380 (E_RNA)
where:
Base-Base interactions energy: -718.296
where: short stacking energy: -319.600
Base-Backbone interact. energy: 2.066
local terms energy: -345.316343
where:
bonds (distance) C4'-P energy: -61.008
bonds (distance) P-C4' energy: -59.553
flat angles C4'-P-C4' energy: -79.871
flat angles P-C4'-P energy: -44.842
tors. eta vs tors. theta energy: -100.042
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: 2, replica: 4
=====================================
Write number: 187
Temperature: 0.950000
Total energy: -1009.841773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1009.841773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1009.841773 (E_RNA)
where:
Base-Base interactions energy: -665.707
where: short stacking energy: -306.326
Base-Backbone interact. energy: -2.164
local terms energy: -341.970297
where:
bonds (distance) C4'-P energy: -60.872
bonds (distance) P-C4' energy: -59.940
flat angles C4'-P-C4' energy: -76.291
flat angles P-C4'-P energy: -51.151
tors. eta vs tors. theta energy: -93.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 187
Temperature: 1.000000
Total energy: -889.117900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -889.117900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -889.117900 (E_RNA)
where:
Base-Base interactions energy: -553.458
where: short stacking energy: -262.167
Base-Backbone interact. energy: -0.760
local terms energy: -334.900766
where:
bonds (distance) C4'-P energy: -58.956
bonds (distance) P-C4' energy: -70.246
flat angles C4'-P-C4' energy: -73.316
flat angles P-C4'-P energy: -49.281
tors. eta vs tors. theta energy: -83.101
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 187
Temperature: 1.050000
Total energy: -757.811891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -757.811891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -757.811891 (E_RNA)
where:
Base-Base interactions energy: -462.887
where: short stacking energy: -201.794
Base-Backbone interact. energy: -1.791
local terms energy: -293.133938
where:
bonds (distance) C4'-P energy: -55.660
bonds (distance) P-C4' energy: -73.705
flat angles C4'-P-C4' energy: -59.974
flat angles P-C4'-P energy: -38.742
tors. eta vs tors. theta energy: -65.054
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: 2
=====================================
Write number: 187
Temperature: 1.100000
Total energy: -689.431963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -689.431963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -689.431963 (E_RNA)
where:
Base-Base interactions energy: -428.165
where: short stacking energy: -205.750
Base-Backbone interact. energy: -2.704
local terms energy: -258.563157
where:
bonds (distance) C4'-P energy: -50.417
bonds (distance) P-C4' energy: -66.328
flat angles C4'-P-C4' energy: -58.930
flat angles P-C4'-P energy: -36.816
tors. eta vs tors. theta energy: -46.073
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 187
Temperature: 1.150000
Total energy: -514.325733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.325733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.325733 (E_RNA)
where:
Base-Base interactions energy: -282.055
where: short stacking energy: -133.546
Base-Backbone interact. energy: -2.551
local terms energy: -229.719826
where:
bonds (distance) C4'-P energy: -65.277
bonds (distance) P-C4' energy: -65.055
flat angles C4'-P-C4' energy: -52.153
flat angles P-C4'-P energy: -34.549
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: 7, replica: 10
=====================================
Write number: 187
Temperature: 1.200000
Total energy: -432.202975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -432.202975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -432.202975 (E_RNA)
where:
Base-Base interactions energy: -212.295
where: short stacking energy: -111.838
Base-Backbone interact. energy: 0.036
local terms energy: -219.944458
where:
bonds (distance) C4'-P energy: -55.610
bonds (distance) P-C4' energy: -70.264
flat angles C4'-P-C4' energy: -46.493
flat angles P-C4'-P energy: -30.719
tors. eta vs tors. theta energy: -16.859
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 187
Temperature: 1.250000
Total energy: -324.951277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.951277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.951277 (E_RNA)
where:
Base-Base interactions energy: -118.642
where: short stacking energy: -77.891
Base-Backbone interact. energy: 1.442
local terms energy: -207.751068
where:
bonds (distance) C4'-P energy: -63.419
bonds (distance) P-C4' energy: -61.705
flat angles C4'-P-C4' energy: -48.104
flat angles P-C4'-P energy: -36.076
tors. eta vs tors. theta energy: 1.554
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 187
Temperature: 1.300000
Total energy: -297.641487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.641487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.641487 (E_RNA)
where:
Base-Base interactions energy: -89.397
where: short stacking energy: -65.868
Base-Backbone interact. energy: -1.763
local terms energy: -206.480909
where:
bonds (distance) C4'-P energy: -70.657
bonds (distance) P-C4' energy: -56.950
flat angles C4'-P-C4' energy: -48.334
flat angles P-C4'-P energy: -34.848
tors. eta vs tors. theta energy: 4.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 187
Temperature: 1.350000
Total energy: -264.999980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.999980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.999980 (E_RNA)
where:
Base-Base interactions energy: -90.739
where: short stacking energy: -76.967
Base-Backbone interact. energy: 0.128
local terms energy: -174.388471
where:
bonds (distance) C4'-P energy: -53.833
bonds (distance) P-C4' energy: -57.218
flat angles C4'-P-C4' energy: -45.679
flat angles P-C4'-P energy: -32.678
tors. eta vs tors. theta energy: 15.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 188
Temperature: 0.900000
Total energy: -1083.284736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1083.284736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1083.284736 (E_RNA)
where:
Base-Base interactions energy: -724.672
where: short stacking energy: -311.672
Base-Backbone interact. energy: 3.173
local terms energy: -361.785526
where:
bonds (distance) C4'-P energy: -67.379
bonds (distance) P-C4' energy: -60.073
flat angles C4'-P-C4' energy: -81.780
flat angles P-C4'-P energy: -47.624
tors. eta vs tors. theta energy: -104.929
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 188
Temperature: 0.950000
Total energy: -992.910466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -992.910466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -992.910466 (E_RNA)
where:
Base-Base interactions energy: -636.747
where: short stacking energy: -286.926
Base-Backbone interact. energy: -1.996
local terms energy: -354.167796
where:
bonds (distance) C4'-P energy: -66.287
bonds (distance) P-C4' energy: -69.738
flat angles C4'-P-C4' energy: -75.006
flat angles P-C4'-P energy: -49.905
tors. eta vs tors. theta energy: -93.231
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: 5
=====================================
Write number: 188
Temperature: 1.000000
Total energy: -865.145278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -865.145278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -865.145278 (E_RNA)
where:
Base-Base interactions energy: -525.630
where: short stacking energy: -235.578
Base-Backbone interact. energy: 2.046
local terms energy: -341.561275
where:
bonds (distance) C4'-P energy: -73.817
bonds (distance) P-C4' energy: -73.608
flat angles C4'-P-C4' energy: -76.257
flat angles P-C4'-P energy: -45.393
tors. eta vs tors. theta energy: -72.486
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 188
Temperature: 1.050000
Total energy: -785.353570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -785.353570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -785.353570 (E_RNA)
where:
Base-Base interactions energy: -486.527
where: short stacking energy: -222.955
Base-Backbone interact. energy: -2.150
local terms energy: -296.676354
where:
bonds (distance) C4'-P energy: -68.677
bonds (distance) P-C4' energy: -68.080
flat angles C4'-P-C4' energy: -61.979
flat angles P-C4'-P energy: -39.452
tors. eta vs tors. theta energy: -58.488
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 188
Temperature: 1.100000
Total energy: -640.455378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -640.455378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -640.455378 (E_RNA)
where:
Base-Base interactions energy: -335.970
where: short stacking energy: -174.541
Base-Backbone interact. energy: -1.161
local terms energy: -303.324425
where:
bonds (distance) C4'-P energy: -78.857
bonds (distance) P-C4' energy: -69.124
flat angles C4'-P-C4' energy: -66.916
flat angles P-C4'-P energy: -49.704
tors. eta vs tors. theta energy: -38.723
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: 6
=====================================
Write number: 188
Temperature: 1.150000
Total energy: -549.820369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.820369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.820369 (E_RNA)
where:
Base-Base interactions energy: -284.558
where: short stacking energy: -145.285
Base-Backbone interact. energy: 1.029
local terms energy: -266.291429
where:
bonds (distance) C4'-P energy: -76.608
bonds (distance) P-C4' energy: -68.888
flat angles C4'-P-C4' energy: -55.489
flat angles P-C4'-P energy: -45.503
tors. eta vs tors. theta energy: -19.803
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: 188
Temperature: 1.200000
Total energy: -428.544733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -428.544733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -428.544733 (E_RNA)
where:
Base-Base interactions energy: -207.153
where: short stacking energy: -102.753
Base-Backbone interact. energy: 0.724
local terms energy: -222.116074
where:
bonds (distance) C4'-P energy: -66.434
bonds (distance) P-C4' energy: -60.045
flat angles C4'-P-C4' energy: -51.817
flat angles P-C4'-P energy: -39.084
tors. eta vs tors. theta energy: -4.736
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: 9
=====================================
Write number: 188
Temperature: 1.250000
Total energy: -301.490166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.490166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.490166 (E_RNA)
where:
Base-Base interactions energy: -116.066
where: short stacking energy: -88.531
Base-Backbone interact. energy: 1.564
local terms energy: -186.987729
where:
bonds (distance) C4'-P energy: -45.550
bonds (distance) P-C4' energy: -50.897
flat angles C4'-P-C4' energy: -56.544
flat angles P-C4'-P energy: -44.083
tors. eta vs tors. theta energy: 10.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 188
Temperature: 1.300000
Total energy: -314.069376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.069376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.069376 (E_RNA)
where:
Base-Base interactions energy: -132.317
where: short stacking energy: -69.401
Base-Backbone interact. energy: 0.241
local terms energy: -181.993280
where:
bonds (distance) C4'-P energy: -55.046
bonds (distance) P-C4' energy: -53.988
flat angles C4'-P-C4' energy: -50.769
flat angles P-C4'-P energy: -27.866
tors. eta vs tors. theta energy: 5.676
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: 10, replica: 7
=====================================
Write number: 188
Temperature: 1.350000
Total energy: -279.406480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.406480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.406480 (E_RNA)
where:
Base-Base interactions energy: -85.437
where: short stacking energy: -75.224
Base-Backbone interact. energy: -0.645
local terms energy: -193.323743
where:
bonds (distance) C4'-P energy: -48.053
bonds (distance) P-C4' energy: -63.641
flat angles C4'-P-C4' energy: -53.808
flat angles P-C4'-P energy: -27.173
tors. eta vs tors. theta energy: -0.649
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: 1
=====================================
Write number: 189
Temperature: 0.900000
Total energy: -1077.219217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1077.219217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1077.219217 (E_RNA)
where:
Base-Base interactions energy: -696.791
where: short stacking energy: -310.545
Base-Backbone interact. energy: 0.847
local terms energy: -381.274656
where:
bonds (distance) C4'-P energy: -74.864
bonds (distance) P-C4' energy: -72.199
flat angles C4'-P-C4' energy: -78.491
flat angles P-C4'-P energy: -48.480
tors. eta vs tors. theta energy: -107.240
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 189
Temperature: 0.950000
Total energy: -1026.612147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1026.612147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1026.612147 (E_RNA)
where:
Base-Base interactions energy: -675.261
where: short stacking energy: -308.085
Base-Backbone interact. energy: -0.612
local terms energy: -350.739709
where:
bonds (distance) C4'-P energy: -62.613
bonds (distance) P-C4' energy: -64.921
flat angles C4'-P-C4' energy: -76.761
flat angles P-C4'-P energy: -45.140
tors. eta vs tors. theta energy: -101.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 189
Temperature: 1.000000
Total energy: -904.010804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -904.010804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -904.010804 (E_RNA)
where:
Base-Base interactions energy: -572.886
where: short stacking energy: -275.118
Base-Backbone interact. energy: 1.024
local terms energy: -332.148985
where:
bonds (distance) C4'-P energy: -67.193
bonds (distance) P-C4' energy: -65.791
flat angles C4'-P-C4' energy: -72.257
flat angles P-C4'-P energy: -47.196
tors. eta vs tors. theta energy: -79.712
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 189
Temperature: 1.050000
Total energy: -788.624626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -788.624626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -788.624626 (E_RNA)
where:
Base-Base interactions energy: -506.391
where: short stacking energy: -240.148
Base-Backbone interact. energy: -0.235
local terms energy: -281.999584
where:
bonds (distance) C4'-P energy: -41.883
bonds (distance) P-C4' energy: -70.788
flat angles C4'-P-C4' energy: -75.495
flat angles P-C4'-P energy: -35.334
tors. eta vs tors. theta energy: -58.500
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: 2
=====================================
Write number: 189
Temperature: 1.100000
Total energy: -668.130044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -668.130044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -668.130044 (E_RNA)
where:
Base-Base interactions energy: -377.525
where: short stacking energy: -185.605
Base-Backbone interact. energy: -0.199
local terms energy: -290.406162
where:
bonds (distance) C4'-P energy: -57.405
bonds (distance) P-C4' energy: -75.161
flat angles C4'-P-C4' energy: -57.929
flat angles P-C4'-P energy: -50.715
tors. eta vs tors. theta energy: -49.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 189
Temperature: 1.150000
Total energy: -515.525485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.525485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.525485 (E_RNA)
where:
Base-Base interactions energy: -288.197
where: short stacking energy: -137.750
Base-Backbone interact. energy: 1.557
local terms energy: -228.885284
where:
bonds (distance) C4'-P energy: -56.312
bonds (distance) P-C4' energy: -70.409
flat angles C4'-P-C4' energy: -58.251
flat angles P-C4'-P energy: -28.126
tors. eta vs tors. theta energy: -15.788
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 189
Temperature: 1.200000
Total energy: -464.394587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -464.394587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -464.394587 (E_RNA)
where:
Base-Base interactions energy: -263.974
where: short stacking energy: -120.571
Base-Backbone interact. energy: -1.498
local terms energy: -198.922931
where:
bonds (distance) C4'-P energy: -54.792
bonds (distance) P-C4' energy: -53.243
flat angles C4'-P-C4' energy: -58.811
flat angles P-C4'-P energy: -39.665
tors. eta vs tors. theta energy: 7.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 189
Temperature: 1.250000
Total energy: -306.129234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.129234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.129234 (E_RNA)
where:
Base-Base interactions energy: -105.273
where: short stacking energy: -83.420
Base-Backbone interact. energy: -0.923
local terms energy: -199.932798
where:
bonds (distance) C4'-P energy: -54.132
bonds (distance) P-C4' energy: -70.039
flat angles C4'-P-C4' energy: -49.540
flat angles P-C4'-P energy: -30.982
tors. eta vs tors. theta energy: 4.761
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 189
Temperature: 1.300000
Total energy: -295.393098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.393098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.393098 (E_RNA)
where:
Base-Base interactions energy: -108.263
where: short stacking energy: -75.345
Base-Backbone interact. energy: -3.049
local terms energy: -184.081148
where:
bonds (distance) C4'-P energy: -54.069
bonds (distance) P-C4' energy: -69.765
flat angles C4'-P-C4' energy: -50.253
flat angles P-C4'-P energy: -29.082
tors. eta vs tors. theta energy: 19.089
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: 7
=====================================
Write number: 189
Temperature: 1.350000
Total energy: -268.967881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.967881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.967881 (E_RNA)
where:
Base-Base interactions energy: -72.089
where: short stacking energy: -51.320
Base-Backbone interact. energy: -0.091
local terms energy: -196.788274
where:
bonds (distance) C4'-P energy: -51.782
bonds (distance) P-C4' energy: -72.902
flat angles C4'-P-C4' energy: -54.892
flat angles P-C4'-P energy: -31.991
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: 1, replica: 1
=====================================
Write number: 190
Temperature: 0.900000
Total energy: -1075.648091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1075.648091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1075.648091 (E_RNA)
where:
Base-Base interactions energy: -702.869
where: short stacking energy: -325.395
Base-Backbone interact. energy: -0.187
local terms energy: -372.591493
where:
bonds (distance) C4'-P energy: -69.978
bonds (distance) P-C4' energy: -67.681
flat angles C4'-P-C4' energy: -78.123
flat angles P-C4'-P energy: -47.067
tors. eta vs tors. theta energy: -109.741
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: 4
=====================================
Write number: 190
Temperature: 0.950000
Total energy: -1019.370405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1019.370405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1019.370405 (E_RNA)
where:
Base-Base interactions energy: -670.032
where: short stacking energy: -307.812
Base-Backbone interact. energy: -1.184
local terms energy: -348.154617
where:
bonds (distance) C4'-P energy: -53.487
bonds (distance) P-C4' energy: -70.699
flat angles C4'-P-C4' energy: -70.266
flat angles P-C4'-P energy: -54.600
tors. eta vs tors. theta energy: -99.102
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 190
Temperature: 1.000000
Total energy: -922.914655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -922.914655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -922.914655 (E_RNA)
where:
Base-Base interactions energy: -608.609
where: short stacking energy: -279.594
Base-Backbone interact. energy: -2.853
local terms energy: -311.452476
where:
bonds (distance) C4'-P energy: -57.958
bonds (distance) P-C4' energy: -54.799
flat angles C4'-P-C4' energy: -69.169
flat angles P-C4'-P energy: -43.927
tors. eta vs tors. theta energy: -85.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 190
Temperature: 1.050000
Total energy: -809.164171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -809.164171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -809.164171 (E_RNA)
where:
Base-Base interactions energy: -502.439
where: short stacking energy: -224.007
Base-Backbone interact. energy: 2.026
local terms energy: -308.750712
where:
bonds (distance) C4'-P energy: -69.370
bonds (distance) P-C4' energy: -57.016
flat angles C4'-P-C4' energy: -58.195
flat angles P-C4'-P energy: -48.313
tors. eta vs tors. theta energy: -75.857
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: 2
=====================================
Write number: 190
Temperature: 1.100000
Total energy: -708.321450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -708.321450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -708.321450 (E_RNA)
where:
Base-Base interactions energy: -429.103
where: short stacking energy: -199.080
Base-Backbone interact. energy: -2.404
local terms energy: -276.814350
where:
bonds (distance) C4'-P energy: -64.115
bonds (distance) P-C4' energy: -71.308
flat angles C4'-P-C4' energy: -61.681
flat angles P-C4'-P energy: -43.857
tors. eta vs tors. theta energy: -35.853
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 190
Temperature: 1.150000
Total energy: -553.924805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -553.924805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -553.924805 (E_RNA)
where:
Base-Base interactions energy: -317.904
where: short stacking energy: -148.179
Base-Backbone interact. energy: -0.424
local terms energy: -235.596360
where:
bonds (distance) C4'-P energy: -54.043
bonds (distance) P-C4' energy: -57.393
flat angles C4'-P-C4' energy: -64.616
flat angles P-C4'-P energy: -35.210
tors. eta vs tors. theta energy: -24.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 190
Temperature: 1.200000
Total energy: -448.219803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -448.219803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -448.219803 (E_RNA)
where:
Base-Base interactions energy: -214.539
where: short stacking energy: -125.438
Base-Backbone interact. energy: 0.285
local terms energy: -233.965590
where:
bonds (distance) C4'-P energy: -60.110
bonds (distance) P-C4' energy: -61.077
flat angles C4'-P-C4' energy: -56.704
flat angles P-C4'-P energy: -28.878
tors. eta vs tors. theta energy: -27.196
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: 8, replica: 8
=====================================
Write number: 190
Temperature: 1.250000
Total energy: -315.135627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.135627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.135627 (E_RNA)
where:
Base-Base interactions energy: -106.983
where: short stacking energy: -93.065
Base-Backbone interact. energy: -1.298
local terms energy: -206.854949
where:
bonds (distance) C4'-P energy: -57.476
bonds (distance) P-C4' energy: -63.282
flat angles C4'-P-C4' energy: -56.375
flat angles P-C4'-P energy: -33.631
tors. eta vs tors. theta energy: 3.910
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 190
Temperature: 1.300000
Total energy: -300.818835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.818835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.818835 (E_RNA)
where:
Base-Base interactions energy: -119.259
where: short stacking energy: -94.617
Base-Backbone interact. energy: -1.640
local terms energy: -179.919701
where:
bonds (distance) C4'-P energy: -48.159
bonds (distance) P-C4' energy: -69.368
flat angles C4'-P-C4' energy: -49.683
flat angles P-C4'-P energy: -25.604
tors. eta vs tors. theta energy: 12.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 190
Temperature: 1.350000
Total energy: -259.856067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.856067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.856067 (E_RNA)
where:
Base-Base interactions energy: -100.705
where: short stacking energy: -72.969
Base-Backbone interact. energy: 0.278
local terms energy: -159.429582
where:
bonds (distance) C4'-P energy: -43.316
bonds (distance) P-C4' energy: -45.528
flat angles C4'-P-C4' energy: -53.720
flat angles P-C4'-P energy: -29.364
tors. eta vs tors. theta energy: 12.498
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: 191
Temperature: 0.900000
Total energy: -1054.760326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1054.760326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1054.760326 (E_RNA)
where:
Base-Base interactions energy: -684.259
where: short stacking energy: -304.129
Base-Backbone interact. energy: -1.610
local terms energy: -368.891425
where:
bonds (distance) C4'-P energy: -68.875
bonds (distance) P-C4' energy: -76.634
flat angles C4'-P-C4' energy: -75.002
flat angles P-C4'-P energy: -48.061
tors. eta vs tors. theta energy: -100.320
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 191
Temperature: 0.950000
Total energy: -1016.589773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1016.589773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1016.589773 (E_RNA)
where:
Base-Base interactions energy: -652.059
where: short stacking energy: -289.001
Base-Backbone interact. energy: -0.010
local terms energy: -364.520922
where:
bonds (distance) C4'-P energy: -69.144
bonds (distance) P-C4' energy: -77.591
flat angles C4'-P-C4' energy: -78.719
flat angles P-C4'-P energy: -47.984
tors. eta vs tors. theta energy: -91.083
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: 5
=====================================
Write number: 191
Temperature: 1.000000
Total energy: -949.158419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -949.158419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -949.158419 (E_RNA)
where:
Base-Base interactions energy: -607.543
where: short stacking energy: -309.250
Base-Backbone interact. energy: -2.223
local terms energy: -339.392586
where:
bonds (distance) C4'-P energy: -60.074
bonds (distance) P-C4' energy: -61.503
flat angles C4'-P-C4' energy: -67.310
flat angles P-C4'-P energy: -53.478
tors. eta vs tors. theta energy: -97.028
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 191
Temperature: 1.050000
Total energy: -830.521350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -830.521350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -830.521350 (E_RNA)
where:
Base-Base interactions energy: -507.294
where: short stacking energy: -238.607
Base-Backbone interact. energy: -1.927
local terms energy: -321.299601
where:
bonds (distance) C4'-P energy: -59.491
bonds (distance) P-C4' energy: -71.089
flat angles C4'-P-C4' energy: -71.670
flat angles P-C4'-P energy: -49.805
tors. eta vs tors. theta energy: -69.245
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 191
Temperature: 1.100000
Total energy: -685.508472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -685.508472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -685.508472 (E_RNA)
where:
Base-Base interactions energy: -416.896
where: short stacking energy: -187.508
Base-Backbone interact. energy: -1.055
local terms energy: -267.557572
where:
bonds (distance) C4'-P energy: -55.843
bonds (distance) P-C4' energy: -68.603
flat angles C4'-P-C4' energy: -54.589
flat angles P-C4'-P energy: -42.343
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: 6
=====================================
Write number: 191
Temperature: 1.150000
Total energy: -559.475525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -559.475525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -559.475525 (E_RNA)
where:
Base-Base interactions energy: -317.095
where: short stacking energy: -168.481
Base-Backbone interact. energy: 2.127
local terms energy: -244.507034
where:
bonds (distance) C4'-P energy: -55.998
bonds (distance) P-C4' energy: -65.567
flat angles C4'-P-C4' energy: -54.120
flat angles P-C4'-P energy: -36.448
tors. eta vs tors. theta energy: -32.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 191
Temperature: 1.200000
Total energy: -440.563635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -440.563635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -440.563635 (E_RNA)
where:
Base-Base interactions energy: -197.803
where: short stacking energy: -125.579
Base-Backbone interact. energy: 0.302
local terms energy: -243.062551
where:
bonds (distance) C4'-P energy: -63.768
bonds (distance) P-C4' energy: -59.114
flat angles C4'-P-C4' energy: -60.308
flat angles P-C4'-P energy: -40.576
tors. eta vs tors. theta energy: -19.297
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: 7
=====================================
Write number: 191
Temperature: 1.250000
Total energy: -322.298652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.298652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.298652 (E_RNA)
where:
Base-Base interactions energy: -121.147
where: short stacking energy: -97.827
Base-Backbone interact. energy: -0.058
local terms energy: -201.092961
where:
bonds (distance) C4'-P energy: -67.261
bonds (distance) P-C4' energy: -56.258
flat angles C4'-P-C4' energy: -48.090
flat angles P-C4'-P energy: -30.358
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: 9, replica: 8
=====================================
Write number: 191
Temperature: 1.300000
Total energy: -309.273359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.273359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.273359 (E_RNA)
where:
Base-Base interactions energy: -97.211
where: short stacking energy: -86.864
Base-Backbone interact. energy: -1.061
local terms energy: -211.001737
where:
bonds (distance) C4'-P energy: -64.025
bonds (distance) P-C4' energy: -65.263
flat angles C4'-P-C4' energy: -52.475
flat angles P-C4'-P energy: -33.683
tors. eta vs tors. theta energy: 4.443
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: 10, replica: 9
=====================================
Write number: 191
Temperature: 1.350000
Total energy: -271.718599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.718599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.718599 (E_RNA)
where:
Base-Base interactions energy: -91.585
where: short stacking energy: -73.116
Base-Backbone interact. energy: -3.902
local terms energy: -176.231750
where:
bonds (distance) C4'-P energy: -56.933
bonds (distance) P-C4' energy: -55.565
flat angles C4'-P-C4' energy: -56.616
flat angles P-C4'-P energy: -24.807
tors. eta vs tors. theta energy: 17.689
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: 1
=====================================
Write number: 192
Temperature: 0.900000
Total energy: -1065.661081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1065.661081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1065.661081 (E_RNA)
where:
Base-Base interactions energy: -702.478
where: short stacking energy: -325.556
Base-Backbone interact. energy: -0.824
local terms energy: -362.359167
where:
bonds (distance) C4'-P energy: -68.417
bonds (distance) P-C4' energy: -65.952
flat angles C4'-P-C4' energy: -70.376
flat angles P-C4'-P energy: -44.451
tors. eta vs tors. theta energy: -113.162
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 192
Temperature: 0.950000
Total energy: -1038.261221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1038.261221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1038.261221 (E_RNA)
where:
Base-Base interactions energy: -670.993
where: short stacking energy: -318.559
Base-Backbone interact. energy: -1.827
local terms energy: -365.441317
where:
bonds (distance) C4'-P energy: -69.909
bonds (distance) P-C4' energy: -59.808
flat angles C4'-P-C4' energy: -75.065
flat angles P-C4'-P energy: -52.829
tors. eta vs tors. theta energy: -107.831
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 192
Temperature: 1.000000
Total energy: -936.341979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -936.341979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -936.341979 (E_RNA)
where:
Base-Base interactions energy: -590.553
where: short stacking energy: -286.142
Base-Backbone interact. energy: -1.243
local terms energy: -344.545600
where:
bonds (distance) C4'-P energy: -70.755
bonds (distance) P-C4' energy: -66.429
flat angles C4'-P-C4' energy: -60.951
flat angles P-C4'-P energy: -54.012
tors. eta vs tors. theta energy: -92.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 192
Temperature: 1.050000
Total energy: -847.486410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -847.486410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -847.486410 (E_RNA)
where:
Base-Base interactions energy: -539.993
where: short stacking energy: -251.744
Base-Backbone interact. energy: -0.893
local terms energy: -306.600661
where:
bonds (distance) C4'-P energy: -62.364
bonds (distance) P-C4' energy: -65.861
flat angles C4'-P-C4' energy: -57.984
flat angles P-C4'-P energy: -46.074
tors. eta vs tors. theta energy: -74.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 192
Temperature: 1.100000
Total energy: -674.980848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -674.980848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -674.980848 (E_RNA)
where:
Base-Base interactions energy: -390.279
where: short stacking energy: -199.504
Base-Backbone interact. energy: 0.046
local terms energy: -284.748379
where:
bonds (distance) C4'-P energy: -63.430
bonds (distance) P-C4' energy: -67.439
flat angles C4'-P-C4' energy: -66.005
flat angles P-C4'-P energy: -45.262
tors. eta vs tors. theta energy: -42.612
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 192
Temperature: 1.150000
Total energy: -608.233047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -608.233047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -608.233047 (E_RNA)
where:
Base-Base interactions energy: -330.239
where: short stacking energy: -161.284
Base-Backbone interact. energy: 0.969
local terms energy: -278.963901
where:
bonds (distance) C4'-P energy: -59.421
bonds (distance) P-C4' energy: -82.086
flat angles C4'-P-C4' energy: -60.925
flat angles P-C4'-P energy: -45.325
tors. eta vs tors. theta energy: -31.207
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: 192
Temperature: 1.200000
Total energy: -421.935379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.935379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -421.935379 (E_RNA)
where:
Base-Base interactions energy: -203.513
where: short stacking energy: -106.381
Base-Backbone interact. energy: -0.693
local terms energy: -217.729142
where:
bonds (distance) C4'-P energy: -51.142
bonds (distance) P-C4' energy: -57.882
flat angles C4'-P-C4' energy: -68.172
flat angles P-C4'-P energy: -36.954
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: 8, replica: 7
=====================================
Write number: 192
Temperature: 1.250000
Total energy: -313.442381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.442381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.442381 (E_RNA)
where:
Base-Base interactions energy: -100.189
where: short stacking energy: -93.692
Base-Backbone interact. energy: 2.576
local terms energy: -215.829669
where:
bonds (distance) C4'-P energy: -59.964
bonds (distance) P-C4' energy: -70.501
flat angles C4'-P-C4' energy: -51.920
flat angles P-C4'-P energy: -42.214
tors. eta vs tors. theta energy: 8.769
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 192
Temperature: 1.300000
Total energy: -282.031260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.031260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.031260 (E_RNA)
where:
Base-Base interactions energy: -114.559
where: short stacking energy: -96.108
Base-Backbone interact. energy: 1.073
local terms energy: -168.544302
where:
bonds (distance) C4'-P energy: -43.940
bonds (distance) P-C4' energy: -55.533
flat angles C4'-P-C4' energy: -37.510
flat angles P-C4'-P energy: -38.543
tors. eta vs tors. theta energy: 6.982
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: 8
=====================================
Write number: 192
Temperature: 1.350000
Total energy: -288.328518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.328518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.328518 (E_RNA)
where:
Base-Base interactions energy: -103.259
where: short stacking energy: -75.987
Base-Backbone interact. energy: -1.415
local terms energy: -183.654843
where:
bonds (distance) C4'-P energy: -67.438
bonds (distance) P-C4' energy: -64.518
flat angles C4'-P-C4' energy: -49.883
flat angles P-C4'-P energy: -19.794
tors. eta vs tors. theta energy: 17.980
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 193
Temperature: 0.900000
Total energy: -1058.617133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1058.617133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1058.617133 (E_RNA)
where:
Base-Base interactions energy: -703.866
where: short stacking energy: -319.969
Base-Backbone interact. energy: -0.032
local terms energy: -354.719216
where:
bonds (distance) C4'-P energy: -65.364
bonds (distance) P-C4' energy: -68.138
flat angles C4'-P-C4' energy: -76.898
flat angles P-C4'-P energy: -41.304
tors. eta vs tors. theta energy: -103.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 193
Temperature: 0.950000
Total energy: -1051.372117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1051.372117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1051.372117 (E_RNA)
where:
Base-Base interactions energy: -704.465
where: short stacking energy: -318.270
Base-Backbone interact. energy: -0.931
local terms energy: -345.975499
where:
bonds (distance) C4'-P energy: -66.951
bonds (distance) P-C4' energy: -57.022
flat angles C4'-P-C4' energy: -74.440
flat angles P-C4'-P energy: -46.033
tors. eta vs tors. theta energy: -101.529
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 193
Temperature: 1.000000
Total energy: -944.097439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -944.097439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -944.097439 (E_RNA)
where:
Base-Base interactions energy: -596.769
where: short stacking energy: -288.765
Base-Backbone interact. energy: -0.797
local terms energy: -346.531577
where:
bonds (distance) C4'-P energy: -68.260
bonds (distance) P-C4' energy: -68.526
flat angles C4'-P-C4' energy: -70.812
flat angles P-C4'-P energy: -51.314
tors. eta vs tors. theta energy: -87.619
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 193
Temperature: 1.050000
Total energy: -822.268965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -822.268965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -822.268965 (E_RNA)
where:
Base-Base interactions energy: -521.626
where: short stacking energy: -223.636
Base-Backbone interact. energy: 2.310
local terms energy: -302.952385
where:
bonds (distance) C4'-P energy: -55.746
bonds (distance) P-C4' energy: -68.563
flat angles C4'-P-C4' energy: -66.677
flat angles P-C4'-P energy: -51.152
tors. eta vs tors. theta energy: -60.814
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: 5, replica: 2
=====================================
Write number: 193
Temperature: 1.100000
Total energy: -637.980934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -637.980934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -637.980934 (E_RNA)
where:
Base-Base interactions energy: -388.856
where: short stacking energy: -189.567
Base-Backbone interact. energy: 0.234
local terms energy: -249.359555
where:
bonds (distance) C4'-P energy: -50.375
bonds (distance) P-C4' energy: -64.265
flat angles C4'-P-C4' energy: -59.599
flat angles P-C4'-P energy: -39.025
tors. eta vs tors. theta energy: -36.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 193
Temperature: 1.150000
Total energy: -576.096762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -576.096762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -576.096762 (E_RNA)
where:
Base-Base interactions energy: -322.417
where: short stacking energy: -162.574
Base-Backbone interact. energy: -1.552
local terms energy: -252.128008
where:
bonds (distance) C4'-P energy: -60.203
bonds (distance) P-C4' energy: -55.344
flat angles C4'-P-C4' energy: -66.461
flat angles P-C4'-P energy: -48.389
tors. eta vs tors. theta energy: -21.732
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 193
Temperature: 1.200000
Total energy: -449.165602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -449.165602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -449.165602 (E_RNA)
where:
Base-Base interactions energy: -189.625
where: short stacking energy: -115.999
Base-Backbone interact. energy: 0.238
local terms energy: -259.778773
where:
bonds (distance) C4'-P energy: -58.909
bonds (distance) P-C4' energy: -60.083
flat angles C4'-P-C4' energy: -72.696
flat angles P-C4'-P energy: -48.023
tors. eta vs tors. theta energy: -20.068
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: 9
=====================================
Write number: 193
Temperature: 1.250000
Total energy: -332.492040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.492040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.492040 (E_RNA)
where:
Base-Base interactions energy: -117.330
where: short stacking energy: -86.780
Base-Backbone interact. energy: -0.563
local terms energy: -214.599330
where:
bonds (distance) C4'-P energy: -61.294
bonds (distance) P-C4' energy: -65.639
flat angles C4'-P-C4' energy: -60.278
flat angles P-C4'-P energy: -25.060
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: 9, replica: 7
=====================================
Write number: 193
Temperature: 1.300000
Total energy: -278.530161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.530161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.530161 (E_RNA)
where:
Base-Base interactions energy: -88.250
where: short stacking energy: -62.416
Base-Backbone interact. energy: -1.833
local terms energy: -188.446541
where:
bonds (distance) C4'-P energy: -54.697
bonds (distance) P-C4' energy: -68.413
flat angles C4'-P-C4' energy: -52.139
flat angles P-C4'-P energy: -25.267
tors. eta vs tors. theta energy: 12.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 193
Temperature: 1.350000
Total energy: -272.592707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.592707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.592707 (E_RNA)
where:
Base-Base interactions energy: -87.726
where: short stacking energy: -64.062
Base-Backbone interact. energy: -1.909
local terms energy: -182.957435
where:
bonds (distance) C4'-P energy: -61.600
bonds (distance) P-C4' energy: -50.792
flat angles C4'-P-C4' energy: -48.671
flat angles P-C4'-P energy: -40.470
tors. eta vs tors. theta energy: 18.576
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 194
Temperature: 0.900000
Total energy: -1095.489492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1095.489492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1095.489492 (E_RNA)
where:
Base-Base interactions energy: -731.888
where: short stacking energy: -336.913
Base-Backbone interact. energy: 0.946
local terms energy: -364.548222
where:
bonds (distance) C4'-P energy: -59.898
bonds (distance) P-C4' energy: -68.714
flat angles C4'-P-C4' energy: -80.260
flat angles P-C4'-P energy: -54.320
tors. eta vs tors. theta energy: -101.356
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 194
Temperature: 0.950000
Total energy: -1032.450500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1032.450500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1032.450500 (E_RNA)
where:
Base-Base interactions energy: -668.591
where: short stacking energy: -298.196
Base-Backbone interact. energy: 0.488
local terms energy: -364.347306
where:
bonds (distance) C4'-P energy: -64.579
bonds (distance) P-C4' energy: -65.573
flat angles C4'-P-C4' energy: -80.058
flat angles P-C4'-P energy: -53.293
tors. eta vs tors. theta energy: -100.845
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 194
Temperature: 1.000000
Total energy: -941.073573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -941.073573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -941.073573 (E_RNA)
where:
Base-Base interactions energy: -591.115
where: short stacking energy: -269.853
Base-Backbone interact. energy: -0.712
local terms energy: -349.246698
where:
bonds (distance) C4'-P energy: -58.598
bonds (distance) P-C4' energy: -70.713
flat angles C4'-P-C4' energy: -75.678
flat angles P-C4'-P energy: -55.792
tors. eta vs tors. theta energy: -88.466
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: 3
=====================================
Write number: 194
Temperature: 1.050000
Total energy: -771.192264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -771.192264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -771.192264 (E_RNA)
where:
Base-Base interactions energy: -491.673
where: short stacking energy: -197.949
Base-Backbone interact. energy: 0.225
local terms energy: -279.744726
where:
bonds (distance) C4'-P energy: -69.072
bonds (distance) P-C4' energy: -50.706
flat angles C4'-P-C4' energy: -67.337
flat angles P-C4'-P energy: -50.553
tors. eta vs tors. theta energy: -42.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 194
Temperature: 1.100000
Total energy: -615.988712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -615.988712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -615.988712 (E_RNA)
where:
Base-Base interactions energy: -342.567
where: short stacking energy: -190.355
Base-Backbone interact. energy: -0.264
local terms energy: -273.157466
where:
bonds (distance) C4'-P energy: -57.247
bonds (distance) P-C4' energy: -65.206
flat angles C4'-P-C4' energy: -72.178
flat angles P-C4'-P energy: -43.933
tors. eta vs tors. theta energy: -34.594
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: 6
=====================================
Write number: 194
Temperature: 1.150000
Total energy: -556.334816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.334816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -556.334816 (E_RNA)
where:
Base-Base interactions energy: -296.895
where: short stacking energy: -167.514
Base-Backbone interact. energy: 0.086
local terms energy: -259.525703
where:
bonds (distance) C4'-P energy: -60.178
bonds (distance) P-C4' energy: -73.108
flat angles C4'-P-C4' energy: -53.502
flat angles P-C4'-P energy: -31.514
tors. eta vs tors. theta energy: -41.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 194
Temperature: 1.200000
Total energy: -444.458421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -444.458421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -444.458421 (E_RNA)
where:
Base-Base interactions energy: -206.576
where: short stacking energy: -137.594
Base-Backbone interact. energy: 2.442
local terms energy: -240.323993
where:
bonds (distance) C4'-P energy: -58.980
bonds (distance) P-C4' energy: -59.782
flat angles C4'-P-C4' energy: -48.649
flat angles P-C4'-P energy: -47.732
tors. eta vs tors. theta energy: -25.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 194
Temperature: 1.250000
Total energy: -303.755515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.755515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.755515 (E_RNA)
where:
Base-Base interactions energy: -94.437
where: short stacking energy: -68.569
Base-Backbone interact. energy: -1.085
local terms energy: -208.233974
where:
bonds (distance) C4'-P energy: -62.870
bonds (distance) P-C4' energy: -58.497
flat angles C4'-P-C4' energy: -63.683
flat angles P-C4'-P energy: -29.612
tors. eta vs tors. theta energy: 6.428
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: 8
=====================================
Write number: 194
Temperature: 1.300000
Total energy: -290.904829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.904829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.904829 (E_RNA)
where:
Base-Base interactions energy: -89.574
where: short stacking energy: -86.412
Base-Backbone interact. energy: 7.953
local terms energy: -209.282987
where:
bonds (distance) C4'-P energy: -60.387
bonds (distance) P-C4' energy: -58.709
flat angles C4'-P-C4' energy: -59.216
flat angles P-C4'-P energy: -29.109
tors. eta vs tors. theta energy: -1.861
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 194
Temperature: 1.350000
Total energy: -279.600898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.600898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.600898 (E_RNA)
where:
Base-Base interactions energy: -95.923
where: short stacking energy: -80.392
Base-Backbone interact. energy: -1.196
local terms energy: -182.482199
where:
bonds (distance) C4'-P energy: -54.090
bonds (distance) P-C4' energy: -59.043
flat angles C4'-P-C4' energy: -45.654
flat angles P-C4'-P energy: -31.572
tors. eta vs tors. theta energy: 7.877
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: 4
=====================================
Write number: 195
Temperature: 0.900000
Total energy: -1081.688931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1081.688931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1081.688931 (E_RNA)
where:
Base-Base interactions energy: -714.263
where: short stacking energy: -347.332
Base-Backbone interact. energy: 2.009
local terms energy: -369.434639
where:
bonds (distance) C4'-P energy: -64.292
bonds (distance) P-C4' energy: -61.817
flat angles C4'-P-C4' energy: -78.196
flat angles P-C4'-P energy: -57.387
tors. eta vs tors. theta energy: -107.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 195
Temperature: 0.950000
Total energy: -1022.526672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1022.526672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1022.526672 (E_RNA)
where:
Base-Base interactions energy: -649.261
where: short stacking energy: -301.303
Base-Backbone interact. energy: -3.201
local terms energy: -370.065044
where:
bonds (distance) C4'-P energy: -68.576
bonds (distance) P-C4' energy: -66.936
flat angles C4'-P-C4' energy: -74.497
flat angles P-C4'-P energy: -60.081
tors. eta vs tors. theta energy: -99.975
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: 5
=====================================
Write number: 195
Temperature: 1.000000
Total energy: -967.423416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -967.423416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -967.423416 (E_RNA)
where:
Base-Base interactions energy: -626.929
where: short stacking energy: -296.745
Base-Backbone interact. energy: -0.835
local terms energy: -339.659143
where:
bonds (distance) C4'-P energy: -72.710
bonds (distance) P-C4' energy: -70.847
flat angles C4'-P-C4' energy: -69.709
flat angles P-C4'-P energy: -31.745
tors. eta vs tors. theta energy: -94.648
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 195
Temperature: 1.050000
Total energy: -767.800387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -767.800387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -767.800387 (E_RNA)
where:
Base-Base interactions energy: -476.983
where: short stacking energy: -218.395
Base-Backbone interact. energy: -1.075
local terms energy: -289.742605
where:
bonds (distance) C4'-P energy: -65.491
bonds (distance) P-C4' energy: -58.452
flat angles C4'-P-C4' energy: -70.002
flat angles P-C4'-P energy: -37.945
tors. eta vs tors. theta energy: -57.853
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: 2
=====================================
Write number: 195
Temperature: 1.100000
Total energy: -647.089821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -647.089821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -647.089821 (E_RNA)
where:
Base-Base interactions energy: -377.693
where: short stacking energy: -192.822
Base-Backbone interact. energy: -0.928
local terms energy: -268.468617
where:
bonds (distance) C4'-P energy: -53.284
bonds (distance) P-C4' energy: -66.371
flat angles C4'-P-C4' energy: -72.623
flat angles P-C4'-P energy: -36.010
tors. eta vs tors. theta energy: -40.180
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: 6
=====================================
Write number: 195
Temperature: 1.150000
Total energy: -582.285508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -582.285508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -582.285508 (E_RNA)
where:
Base-Base interactions energy: -332.971
where: short stacking energy: -159.750
Base-Backbone interact. energy: -1.902
local terms energy: -247.413040
where:
bonds (distance) C4'-P energy: -63.904
bonds (distance) P-C4' energy: -58.732
flat angles C4'-P-C4' energy: -60.488
flat angles P-C4'-P energy: -40.481
tors. eta vs tors. theta energy: -23.808
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: 7, replica: 10
=====================================
Write number: 195
Temperature: 1.200000
Total energy: -414.275214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.275214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.275214 (E_RNA)
where:
Base-Base interactions energy: -182.554
where: short stacking energy: -94.729
Base-Backbone interact. energy: 0.117
local terms energy: -231.838650
where:
bonds (distance) C4'-P energy: -50.958
bonds (distance) P-C4' energy: -65.858
flat angles C4'-P-C4' energy: -55.914
flat angles P-C4'-P energy: -50.380
tors. eta vs tors. theta energy: -8.729
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: 8, replica: 8
=====================================
Write number: 195
Temperature: 1.250000
Total energy: -307.526089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.526089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.526089 (E_RNA)
where:
Base-Base interactions energy: -105.786
where: short stacking energy: -74.132
Base-Backbone interact. energy: 1.886
local terms energy: -203.626499
where:
bonds (distance) C4'-P energy: -66.498
bonds (distance) P-C4' energy: -60.110
flat angles C4'-P-C4' energy: -54.954
flat angles P-C4'-P energy: -29.692
tors. eta vs tors. theta energy: 7.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 195
Temperature: 1.300000
Total energy: -319.929828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.929828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.929828 (E_RNA)
where:
Base-Base interactions energy: -116.482
where: short stacking energy: -78.459
Base-Backbone interact. energy: 0.295
local terms energy: -203.743502
where:
bonds (distance) C4'-P energy: -64.156
bonds (distance) P-C4' energy: -67.195
flat angles C4'-P-C4' energy: -41.700
flat angles P-C4'-P energy: -30.580
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: 7
=====================================
Write number: 195
Temperature: 1.350000
Total energy: -268.491179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.491179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.491179 (E_RNA)
where:
Base-Base interactions energy: -84.261
where: short stacking energy: -59.241
Base-Backbone interact. energy: -0.408
local terms energy: -183.822534
where:
bonds (distance) C4'-P energy: -44.247
bonds (distance) P-C4' energy: -67.133
flat angles C4'-P-C4' energy: -60.397
flat angles P-C4'-P energy: -28.797
tors. eta vs tors. theta energy: 16.751
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 196
Temperature: 0.900000
Total energy: -1094.917106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1094.917106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1094.917106 (E_RNA)
where:
Base-Base interactions energy: -720.599
where: short stacking energy: -326.954
Base-Backbone interact. energy: 1.789
local terms energy: -376.106711
where:
bonds (distance) C4'-P energy: -72.661
bonds (distance) P-C4' energy: -57.906
flat angles C4'-P-C4' energy: -80.362
flat angles P-C4'-P energy: -61.022
tors. eta vs tors. theta energy: -104.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 196
Temperature: 0.950000
Total energy: -1017.181470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1017.181470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1017.181470 (E_RNA)
where:
Base-Base interactions energy: -671.395
where: short stacking energy: -307.247
Base-Backbone interact. energy: -2.064
local terms energy: -343.721591
where:
bonds (distance) C4'-P energy: -69.803
bonds (distance) P-C4' energy: -58.043
flat angles C4'-P-C4' energy: -71.449
flat angles P-C4'-P energy: -45.162
tors. eta vs tors. theta energy: -99.264
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 196
Temperature: 1.000000
Total energy: -959.023540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -959.023540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -959.023540 (E_RNA)
where:
Base-Base interactions energy: -614.312
where: short stacking energy: -270.021
Base-Backbone interact. energy: -0.901
local terms energy: -343.810518
where:
bonds (distance) C4'-P energy: -64.606
bonds (distance) P-C4' energy: -69.635
flat angles C4'-P-C4' energy: -73.587
flat angles P-C4'-P energy: -49.163
tors. eta vs tors. theta energy: -86.820
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 196
Temperature: 1.050000
Total energy: -743.138661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -743.138661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -743.138661 (E_RNA)
where:
Base-Base interactions energy: -448.840
where: short stacking energy: -211.775
Base-Backbone interact. energy: -0.242
local terms energy: -294.056666
where:
bonds (distance) C4'-P energy: -56.996
bonds (distance) P-C4' energy: -68.138
flat angles C4'-P-C4' energy: -69.921
flat angles P-C4'-P energy: -40.810
tors. eta vs tors. theta energy: -58.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 196
Temperature: 1.100000
Total energy: -616.891046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -616.891046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -616.891046 (E_RNA)
where:
Base-Base interactions energy: -379.950
where: short stacking energy: -156.009
Base-Backbone interact. energy: 1.954
local terms energy: -238.895894
where:
bonds (distance) C4'-P energy: -56.208
bonds (distance) P-C4' energy: -67.522
flat angles C4'-P-C4' energy: -56.918
flat angles P-C4'-P energy: -34.938
tors. eta vs tors. theta energy: -23.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 196
Temperature: 1.150000
Total energy: -603.533050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -603.533050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -603.533050 (E_RNA)
where:
Base-Base interactions energy: -337.575
where: short stacking energy: -143.938
Base-Backbone interact. energy: -1.498
local terms energy: -264.460311
where:
bonds (distance) C4'-P energy: -53.374
bonds (distance) P-C4' energy: -74.849
flat angles C4'-P-C4' energy: -64.001
flat angles P-C4'-P energy: -43.193
tors. eta vs tors. theta energy: -29.043
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: 10
=====================================
Write number: 196
Temperature: 1.200000
Total energy: -438.152795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -438.152795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -438.152795 (E_RNA)
where:
Base-Base interactions energy: -208.485
where: short stacking energy: -126.572
Base-Backbone interact. energy: -1.651
local terms energy: -228.017005
where:
bonds (distance) C4'-P energy: -61.402
bonds (distance) P-C4' energy: -68.634
flat angles C4'-P-C4' energy: -54.559
flat angles P-C4'-P energy: -31.861
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: 8
=====================================
Write number: 196
Temperature: 1.250000
Total energy: -319.411441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.411441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.411441 (E_RNA)
where:
Base-Base interactions energy: -108.423
where: short stacking energy: -79.079
Base-Backbone interact. energy: 1.393
local terms energy: -212.381676
where:
bonds (distance) C4'-P energy: -62.692
bonds (distance) P-C4' energy: -66.284
flat angles C4'-P-C4' energy: -51.029
flat angles P-C4'-P energy: -34.274
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: 9, replica: 7
=====================================
Write number: 196
Temperature: 1.300000
Total energy: -294.847167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.847167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.847167 (E_RNA)
where:
Base-Base interactions energy: -110.304
where: short stacking energy: -106.712
Base-Backbone interact. energy: -0.410
local terms energy: -184.133049
where:
bonds (distance) C4'-P energy: -54.404
bonds (distance) P-C4' energy: -58.729
flat angles C4'-P-C4' energy: -40.472
flat angles P-C4'-P energy: -32.799
tors. eta vs tors. theta energy: 2.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 196
Temperature: 1.350000
Total energy: -257.008075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.008075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.008075 (E_RNA)
where:
Base-Base interactions energy: -85.596
where: short stacking energy: -64.986
Base-Backbone interact. energy: 0.170
local terms energy: -171.581520
where:
bonds (distance) C4'-P energy: -63.642
bonds (distance) P-C4' energy: -57.466
flat angles C4'-P-C4' energy: -43.894
flat angles P-C4'-P energy: -30.528
tors. eta vs tors. theta energy: 23.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 197
Temperature: 0.900000
Total energy: -1104.696016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1104.696016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1104.696016 (E_RNA)
where:
Base-Base interactions energy: -718.566
where: short stacking energy: -335.574
Base-Backbone interact. energy: -0.287
local terms energy: -385.843816
where:
bonds (distance) C4'-P energy: -71.227
bonds (distance) P-C4' energy: -65.682
flat angles C4'-P-C4' energy: -84.131
flat angles P-C4'-P energy: -53.307
tors. eta vs tors. theta energy: -111.496
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: 197
Temperature: 0.950000
Total energy: -1014.260468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1014.260468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1014.260468 (E_RNA)
where:
Base-Base interactions energy: -671.442
where: short stacking energy: -285.583
Base-Backbone interact. energy: -0.731
local terms energy: -342.087477
where:
bonds (distance) C4'-P energy: -62.040
bonds (distance) P-C4' energy: -69.089
flat angles C4'-P-C4' energy: -72.543
flat angles P-C4'-P energy: -46.619
tors. eta vs tors. theta energy: -91.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 197
Temperature: 1.000000
Total energy: -957.511996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -957.511996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -957.511996 (E_RNA)
where:
Base-Base interactions energy: -615.159
where: short stacking energy: -272.641
Base-Backbone interact. energy: -0.939
local terms energy: -341.414308
where:
bonds (distance) C4'-P energy: -64.438
bonds (distance) P-C4' energy: -74.695
flat angles C4'-P-C4' energy: -76.930
flat angles P-C4'-P energy: -33.585
tors. eta vs tors. theta energy: -91.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 197
Temperature: 1.050000
Total energy: -723.385976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -723.385976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -723.385976 (E_RNA)
where:
Base-Base interactions energy: -414.318
where: short stacking energy: -208.563
Base-Backbone interact. energy: -1.355
local terms energy: -307.712942
where:
bonds (distance) C4'-P energy: -65.824
bonds (distance) P-C4' energy: -71.769
flat angles C4'-P-C4' energy: -68.377
flat angles P-C4'-P energy: -48.891
tors. eta vs tors. theta energy: -52.852
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 197
Temperature: 1.100000
Total energy: -689.957662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -689.957662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -689.957662 (E_RNA)
where:
Base-Base interactions energy: -421.529
where: short stacking energy: -195.028
Base-Backbone interact. energy: 0.807
local terms energy: -269.236247
where:
bonds (distance) C4'-P energy: -63.992
bonds (distance) P-C4' energy: -68.841
flat angles C4'-P-C4' energy: -63.736
flat angles P-C4'-P energy: -27.326
tors. eta vs tors. theta energy: -45.342
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 197
Temperature: 1.150000
Total energy: -536.019513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.019513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.019513 (E_RNA)
where:
Base-Base interactions energy: -292.334
where: short stacking energy: -157.228
Base-Backbone interact. energy: -1.380
local terms energy: -242.305790
where:
bonds (distance) C4'-P energy: -49.570
bonds (distance) P-C4' energy: -73.570
flat angles C4'-P-C4' energy: -60.050
flat angles P-C4'-P energy: -37.600
tors. eta vs tors. theta energy: -21.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 197
Temperature: 1.200000
Total energy: -426.920028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -426.920028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -426.920028 (E_RNA)
where:
Base-Base interactions energy: -208.299
where: short stacking energy: -125.487
Base-Backbone interact. energy: 2.186
local terms energy: -220.807095
where:
bonds (distance) C4'-P energy: -62.823
bonds (distance) P-C4' energy: -60.056
flat angles C4'-P-C4' energy: -62.616
flat angles P-C4'-P energy: -38.172
tors. eta vs tors. theta energy: 2.859
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 197
Temperature: 1.250000
Total energy: -300.734874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.734874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.734874 (E_RNA)
where:
Base-Base interactions energy: -87.334
where: short stacking energy: -71.578
Base-Backbone interact. energy: -2.768
local terms energy: -210.632919
where:
bonds (distance) C4'-P energy: -67.409
bonds (distance) P-C4' energy: -72.000
flat angles C4'-P-C4' energy: -47.409
flat angles P-C4'-P energy: -27.682
tors. eta vs tors. theta energy: 3.868
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 197
Temperature: 1.300000
Total energy: -292.147706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.147706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.147706 (E_RNA)
where:
Base-Base interactions energy: -92.678
where: short stacking energy: -65.610
Base-Backbone interact. energy: -0.126
local terms energy: -199.343808
where:
bonds (distance) C4'-P energy: -52.424
bonds (distance) P-C4' energy: -64.515
flat angles C4'-P-C4' energy: -58.870
flat angles P-C4'-P energy: -27.824
tors. eta vs tors. theta energy: 4.290
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: 10, replica: 9
=====================================
Write number: 197
Temperature: 1.350000
Total energy: -284.877110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.877110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.877110 (E_RNA)
where:
Base-Base interactions energy: -119.048
where: short stacking energy: -75.970
Base-Backbone interact. energy: -0.883
local terms energy: -164.946132
where:
bonds (distance) C4'-P energy: -51.340
bonds (distance) P-C4' energy: -61.798
flat angles C4'-P-C4' energy: -41.241
flat angles P-C4'-P energy: -24.704
tors. eta vs tors. theta energy: 14.137
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: 4
=====================================
Write number: 198
Temperature: 0.900000
Total energy: -1108.624612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1108.624612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1108.624612 (E_RNA)
where:
Base-Base interactions energy: -721.957
where: short stacking energy: -341.101
Base-Backbone interact. energy: 1.756
local terms energy: -388.424146
where:
bonds (distance) C4'-P energy: -77.609
bonds (distance) P-C4' energy: -70.741
flat angles C4'-P-C4' energy: -82.746
flat angles P-C4'-P energy: -49.444
tors. eta vs tors. theta energy: -107.885
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 198
Temperature: 0.950000
Total energy: -1015.048086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1015.048086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1015.048086 (E_RNA)
where:
Base-Base interactions energy: -683.509
where: short stacking energy: -282.746
Base-Backbone interact. energy: -2.583
local terms energy: -328.956703
where:
bonds (distance) C4'-P energy: -51.822
bonds (distance) P-C4' energy: -67.921
flat angles C4'-P-C4' energy: -75.486
flat angles P-C4'-P energy: -41.101
tors. eta vs tors. theta energy: -92.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 198
Temperature: 1.000000
Total energy: -954.155276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -954.155276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -954.155276 (E_RNA)
where:
Base-Base interactions energy: -606.469
where: short stacking energy: -284.055
Base-Backbone interact. energy: -1.431
local terms energy: -346.255088
where:
bonds (distance) C4'-P energy: -58.586
bonds (distance) P-C4' energy: -72.015
flat angles C4'-P-C4' energy: -73.904
flat angles P-C4'-P energy: -44.325
tors. eta vs tors. theta energy: -97.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 198
Temperature: 1.050000
Total energy: -722.868796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -722.868796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -722.868796 (E_RNA)
where:
Base-Base interactions energy: -435.403
where: short stacking energy: -210.752
Base-Backbone interact. energy: 0.500
local terms energy: -287.965730
where:
bonds (distance) C4'-P energy: -60.744
bonds (distance) P-C4' energy: -61.249
flat angles C4'-P-C4' energy: -66.919
flat angles P-C4'-P energy: -52.324
tors. eta vs tors. theta energy: -46.730
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 198
Temperature: 1.100000
Total energy: -691.619452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -691.619452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -691.619452 (E_RNA)
where:
Base-Base interactions energy: -418.534
where: short stacking energy: -211.179
Base-Backbone interact. energy: -0.448
local terms energy: -272.637868
where:
bonds (distance) C4'-P energy: -66.755
bonds (distance) P-C4' energy: -60.211
flat angles C4'-P-C4' energy: -64.837
flat angles P-C4'-P energy: -24.484
tors. eta vs tors. theta energy: -56.351
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: 2
=====================================
Write number: 198
Temperature: 1.150000
Total energy: -603.209627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -603.209627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -603.209627 (E_RNA)
where:
Base-Base interactions energy: -348.354
where: short stacking energy: -187.974
Base-Backbone interact. energy: 1.379
local terms energy: -256.235161
where:
bonds (distance) C4'-P energy: -64.604
bonds (distance) P-C4' energy: -53.641
flat angles C4'-P-C4' energy: -57.317
flat angles P-C4'-P energy: -39.857
tors. eta vs tors. theta energy: -40.816
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 198
Temperature: 1.200000
Total energy: -415.962464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -415.962464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -415.962464 (E_RNA)
where:
Base-Base interactions energy: -207.330
where: short stacking energy: -115.624
Base-Backbone interact. energy: -1.020
local terms energy: -207.612604
where:
bonds (distance) C4'-P energy: -54.408
bonds (distance) P-C4' energy: -62.610
flat angles C4'-P-C4' energy: -54.999
flat angles P-C4'-P energy: -25.279
tors. eta vs tors. theta energy: -10.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 198
Temperature: 1.250000
Total energy: -332.289705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.289705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.289705 (E_RNA)
where:
Base-Base interactions energy: -123.611
where: short stacking energy: -73.143
Base-Backbone interact. energy: -1.570
local terms energy: -207.108542
where:
bonds (distance) C4'-P energy: -53.251
bonds (distance) P-C4' energy: -59.378
flat angles C4'-P-C4' energy: -51.125
flat angles P-C4'-P energy: -43.812
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: 9, replica: 8
=====================================
Write number: 198
Temperature: 1.300000
Total energy: -280.135417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.135417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.135417 (E_RNA)
where:
Base-Base interactions energy: -93.864
where: short stacking energy: -72.308
Base-Backbone interact. energy: 0.146
local terms energy: -186.417975
where:
bonds (distance) C4'-P energy: -60.023
bonds (distance) P-C4' energy: -64.462
flat angles C4'-P-C4' energy: -38.656
flat angles P-C4'-P energy: -36.159
tors. eta vs tors. theta energy: 12.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 198
Temperature: 1.350000
Total energy: -273.686822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.686822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.686822 (E_RNA)
where:
Base-Base interactions energy: -94.433
where: short stacking energy: -72.753
Base-Backbone interact. energy: -2.458
local terms energy: -176.795491
where:
bonds (distance) C4'-P energy: -57.344
bonds (distance) P-C4' energy: -58.108
flat angles C4'-P-C4' energy: -52.964
flat angles P-C4'-P energy: -18.941
tors. eta vs tors. theta energy: 10.562
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 199
Temperature: 0.900000
Total energy: -1109.599143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1109.599143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1109.599143 (E_RNA)
where:
Base-Base interactions energy: -738.613
where: short stacking energy: -342.633
Base-Backbone interact. energy: -1.914
local terms energy: -369.072756
where:
bonds (distance) C4'-P energy: -68.567
bonds (distance) P-C4' energy: -65.590
flat angles C4'-P-C4' energy: -75.488
flat angles P-C4'-P energy: -48.565
tors. eta vs tors. theta energy: -110.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 199
Temperature: 0.950000
Total energy: -1017.415945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1017.415945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1017.415945 (E_RNA)
where:
Base-Base interactions energy: -668.432
where: short stacking energy: -282.868
Base-Backbone interact. energy: -1.023
local terms energy: -347.960844
where:
bonds (distance) C4'-P energy: -70.494
bonds (distance) P-C4' energy: -63.298
flat angles C4'-P-C4' energy: -70.905
flat angles P-C4'-P energy: -48.487
tors. eta vs tors. theta energy: -94.777
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 199
Temperature: 1.000000
Total energy: -928.553170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -928.553170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -928.553170 (E_RNA)
where:
Base-Base interactions energy: -593.139
where: short stacking energy: -272.728
Base-Backbone interact. energy: 2.311
local terms energy: -337.725174
where:
bonds (distance) C4'-P energy: -56.851
bonds (distance) P-C4' energy: -66.608
flat angles C4'-P-C4' energy: -75.725
flat angles P-C4'-P energy: -52.258
tors. eta vs tors. theta energy: -86.284
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 199
Temperature: 1.050000
Total energy: -706.715668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -706.715668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -706.715668 (E_RNA)
where:
Base-Base interactions energy: -421.646
where: short stacking energy: -209.756
Base-Backbone interact. energy: -2.580
local terms energy: -282.490560
where:
bonds (distance) C4'-P energy: -58.109
bonds (distance) P-C4' energy: -70.549
flat angles C4'-P-C4' energy: -65.272
flat angles P-C4'-P energy: -36.972
tors. eta vs tors. theta energy: -51.589
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: 6
=====================================
Write number: 199
Temperature: 1.100000
Total energy: -697.907385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -697.907385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -697.907385 (E_RNA)
where:
Base-Base interactions energy: -407.920
where: short stacking energy: -206.684
Base-Backbone interact. energy: -0.264
local terms energy: -289.723341
where:
bonds (distance) C4'-P energy: -64.685
bonds (distance) P-C4' energy: -65.046
flat angles C4'-P-C4' energy: -64.517
flat angles P-C4'-P energy: -41.665
tors. eta vs tors. theta energy: -53.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 199
Temperature: 1.150000
Total energy: -527.628248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.628248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.628248 (E_RNA)
where:
Base-Base interactions energy: -266.771
where: short stacking energy: -140.919
Base-Backbone interact. energy: -1.372
local terms energy: -259.485303
where:
bonds (distance) C4'-P energy: -59.131
bonds (distance) P-C4' energy: -76.206
flat angles C4'-P-C4' energy: -55.648
flat angles P-C4'-P energy: -43.764
tors. eta vs tors. theta energy: -24.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 199
Temperature: 1.200000
Total energy: -400.763113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -400.763113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -400.763113 (E_RNA)
where:
Base-Base interactions energy: -185.779
where: short stacking energy: -128.476
Base-Backbone interact. energy: 1.994
local terms energy: -216.977754
where:
bonds (distance) C4'-P energy: -63.228
bonds (distance) P-C4' energy: -67.192
flat angles C4'-P-C4' energy: -52.476
flat angles P-C4'-P energy: -31.419
tors. eta vs tors. theta energy: -2.662
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 199
Temperature: 1.250000
Total energy: -331.637851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.637851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.637851 (E_RNA)
where:
Base-Base interactions energy: -130.928
where: short stacking energy: -89.348
Base-Backbone interact. energy: -3.313
local terms energy: -197.396863
where:
bonds (distance) C4'-P energy: -52.954
bonds (distance) P-C4' energy: -60.212
flat angles C4'-P-C4' energy: -55.195
flat angles P-C4'-P energy: -32.643
tors. eta vs tors. theta energy: 3.607
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 199
Temperature: 1.300000
Total energy: -285.974176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.974176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.974176 (E_RNA)
where:
Base-Base interactions energy: -103.319
where: short stacking energy: -79.599
Base-Backbone interact. energy: -1.065
local terms energy: -181.590069
where:
bonds (distance) C4'-P energy: -61.159
bonds (distance) P-C4' energy: -56.059
flat angles C4'-P-C4' energy: -49.086
flat angles P-C4'-P energy: -30.430
tors. eta vs tors. theta energy: 15.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 199
Temperature: 1.350000
Total energy: -291.177151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.177151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.177151 (E_RNA)
where:
Base-Base interactions energy: -93.833
where: short stacking energy: -75.119
Base-Backbone interact. energy: -1.406
local terms energy: -195.938092
where:
bonds (distance) C4'-P energy: -62.953
bonds (distance) P-C4' energy: -65.889
flat angles C4'-P-C4' energy: -45.478
flat angles P-C4'-P energy: -29.308
tors. eta vs tors. theta energy: 7.689
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 200
Temperature: 0.900000
Total energy: -1101.919669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1101.919669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1101.919669 (E_RNA)
where:
Base-Base interactions energy: -722.397
where: short stacking energy: -314.691
Base-Backbone interact. energy: -0.836
local terms energy: -378.686130
where:
bonds (distance) C4'-P energy: -66.476
bonds (distance) P-C4' energy: -65.316
flat angles C4'-P-C4' energy: -81.676
flat angles P-C4'-P energy: -52.967
tors. eta vs tors. theta energy: -112.251
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: 1
=====================================
Write number: 200
Temperature: 0.950000
Total energy: -1014.313019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1014.313019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1014.313019 (E_RNA)
where:
Base-Base interactions energy: -658.124
where: short stacking energy: -309.492
Base-Backbone interact. energy: -1.911
local terms energy: -354.277450
where:
bonds (distance) C4'-P energy: -68.553
bonds (distance) P-C4' energy: -71.426
flat angles C4'-P-C4' energy: -71.619
flat angles P-C4'-P energy: -41.188
tors. eta vs tors. theta energy: -101.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 200
Temperature: 1.000000
Total energy: -947.664303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -947.664303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -947.664303 (E_RNA)
where:
Base-Base interactions energy: -626.199
where: short stacking energy: -283.699
Base-Backbone interact. energy: -3.011
local terms energy: -318.454612
where:
bonds (distance) C4'-P energy: -52.508
bonds (distance) P-C4' energy: -70.289
flat angles C4'-P-C4' energy: -65.115
flat angles P-C4'-P energy: -44.597
tors. eta vs tors. theta energy: -85.945
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: 4, replica: 3
=====================================
Write number: 200
Temperature: 1.050000
Total energy: -692.883349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -692.883349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -692.883349 (E_RNA)
where:
Base-Base interactions energy: -398.684
where: short stacking energy: -191.922
Base-Backbone interact. energy: -0.028
local terms energy: -294.170655
where:
bonds (distance) C4'-P energy: -71.243
bonds (distance) P-C4' energy: -67.840
flat angles C4'-P-C4' energy: -66.723
flat angles P-C4'-P energy: -46.927
tors. eta vs tors. theta energy: -41.437
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 200
Temperature: 1.100000
Total energy: -662.498783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -662.498783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -662.498783 (E_RNA)
where:
Base-Base interactions energy: -388.002
where: short stacking energy: -178.743
Base-Backbone interact. energy: -0.934
local terms energy: -273.562295
where:
bonds (distance) C4'-P energy: -65.654
bonds (distance) P-C4' energy: -64.716
flat angles C4'-P-C4' energy: -67.258
flat angles P-C4'-P energy: -34.575
tors. eta vs tors. theta energy: -41.359
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 200
Temperature: 1.150000
Total energy: -524.616359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.616359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.616359 (E_RNA)
where:
Base-Base interactions energy: -271.330
where: short stacking energy: -159.388
Base-Backbone interact. energy: -0.435
local terms energy: -252.850588
where:
bonds (distance) C4'-P energy: -61.366
bonds (distance) P-C4' energy: -64.250
flat angles C4'-P-C4' energy: -59.785
flat angles P-C4'-P energy: -32.641
tors. eta vs tors. theta energy: -34.808
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: 7, replica: 10
=====================================
Write number: 200
Temperature: 1.200000
Total energy: -425.423643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -425.423643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -425.423643 (E_RNA)
where:
Base-Base interactions energy: -189.371
where: short stacking energy: -103.876
Base-Backbone interact. energy: 0.668
local terms energy: -236.720800
where:
bonds (distance) C4'-P energy: -58.642
bonds (distance) P-C4' energy: -64.415
flat angles C4'-P-C4' energy: -58.401
flat angles P-C4'-P energy: -42.842
tors. eta vs tors. theta energy: -12.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 200
Temperature: 1.250000
Total energy: -333.471022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.471022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.471022 (E_RNA)
where:
Base-Base interactions energy: -131.595
where: short stacking energy: -69.449
Base-Backbone interact. energy: -0.150
local terms energy: -201.725619
where:
bonds (distance) C4'-P energy: -65.169
bonds (distance) P-C4' energy: -71.215
flat angles C4'-P-C4' energy: -51.757
flat angles P-C4'-P energy: -33.248
tors. eta vs tors. theta energy: 19.664
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 200
Temperature: 1.300000
Total energy: -289.264884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.264884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.264884 (E_RNA)
where:
Base-Base interactions energy: -87.311
where: short stacking energy: -75.458
Base-Backbone interact. energy: -0.117
local terms energy: -201.837524
where:
bonds (distance) C4'-P energy: -65.546
bonds (distance) P-C4' energy: -60.664
flat angles C4'-P-C4' energy: -51.853
flat angles P-C4'-P energy: -31.557
tors. eta vs tors. theta energy: 7.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 200
Temperature: 1.350000
Total energy: -293.733019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.733019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.733019 (E_RNA)
where:
Base-Base interactions energy: -98.700
where: short stacking energy: -77.127
Base-Backbone interact. energy: -2.282
local terms energy: -192.751061
where:
bonds (distance) C4'-P energy: -66.528
bonds (distance) P-C4' energy: -56.614
flat angles C4'-P-C4' energy: -46.202
flat angles P-C4'-P energy: -26.987
tors. eta vs tors. theta energy: 3.580
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 201
Temperature: 0.900000
Total energy: -1112.217590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1112.217590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1112.217590 (E_RNA)
where:
Base-Base interactions energy: -737.759
where: short stacking energy: -326.151
Base-Backbone interact. energy: -1.079
local terms energy: -373.379114
where:
bonds (distance) C4'-P energy: -66.305
bonds (distance) P-C4' energy: -66.635
flat angles C4'-P-C4' energy: -80.508
flat angles P-C4'-P energy: -47.063
tors. eta vs tors. theta energy: -112.869
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: 2, replica: 5
=====================================
Write number: 201
Temperature: 0.950000
Total energy: -997.296383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -997.296383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -997.296383 (E_RNA)
where:
Base-Base interactions energy: -631.261
where: short stacking energy: -299.934
Base-Backbone interact. energy: 3.686
local terms energy: -369.721382
where:
bonds (distance) C4'-P energy: -76.458
bonds (distance) P-C4' energy: -71.752
flat angles C4'-P-C4' energy: -75.788
flat angles P-C4'-P energy: -46.114
tors. eta vs tors. theta energy: -99.610
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: 201
Temperature: 1.000000
Total energy: -1010.917978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1010.917978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1010.917978 (E_RNA)
where:
Base-Base interactions energy: -665.780
where: short stacking energy: -302.778
Base-Backbone interact. energy: -2.622
local terms energy: -342.515793
where:
bonds (distance) C4'-P energy: -64.854
bonds (distance) P-C4' energy: -70.567
flat angles C4'-P-C4' energy: -68.460
flat angles P-C4'-P energy: -40.408
tors. eta vs tors. theta energy: -98.227
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: 6
=====================================
Write number: 201
Temperature: 1.050000
Total energy: -721.215818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -721.215818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -721.215818 (E_RNA)
where:
Base-Base interactions energy: -448.475
where: short stacking energy: -233.476
Base-Backbone interact. energy: 2.925
local terms energy: -275.665247
where:
bonds (distance) C4'-P energy: -48.698
bonds (distance) P-C4' energy: -66.647
flat angles C4'-P-C4' energy: -67.889
flat angles P-C4'-P energy: -38.832
tors. eta vs tors. theta energy: -53.599
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: 3
=====================================
Write number: 201
Temperature: 1.100000
Total energy: -676.299322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -676.299322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -676.299322 (E_RNA)
where:
Base-Base interactions energy: -408.162
where: short stacking energy: -222.460
Base-Backbone interact. energy: 0.020
local terms energy: -268.156985
where:
bonds (distance) C4'-P energy: -53.107
bonds (distance) P-C4' energy: -64.905
flat angles C4'-P-C4' energy: -60.359
flat angles P-C4'-P energy: -39.097
tors. eta vs tors. theta energy: -50.689
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 201
Temperature: 1.150000
Total energy: -510.428294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.428294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.428294 (E_RNA)
where:
Base-Base interactions energy: -267.212
where: short stacking energy: -152.483
Base-Backbone interact. energy: -0.041
local terms energy: -243.175313
where:
bonds (distance) C4'-P energy: -57.250
bonds (distance) P-C4' energy: -56.411
flat angles C4'-P-C4' energy: -62.735
flat angles P-C4'-P energy: -44.066
tors. eta vs tors. theta energy: -22.713
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 201
Temperature: 1.200000
Total energy: -437.002688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -437.002688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -437.002688 (E_RNA)
where:
Base-Base interactions energy: -195.538
where: short stacking energy: -126.881
Base-Backbone interact. energy: -0.330
local terms energy: -241.133999
where:
bonds (distance) C4'-P energy: -64.158
bonds (distance) P-C4' energy: -51.683
flat angles C4'-P-C4' energy: -68.064
flat angles P-C4'-P energy: -39.181
tors. eta vs tors. theta energy: -18.048
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 201
Temperature: 1.250000
Total energy: -336.588468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.588468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.588468 (E_RNA)
where:
Base-Base interactions energy: -127.424
where: short stacking energy: -93.194
Base-Backbone interact. energy: 1.716
local terms energy: -210.880207
where:
bonds (distance) C4'-P energy: -61.388
bonds (distance) P-C4' energy: -66.450
flat angles C4'-P-C4' energy: -50.505
flat angles P-C4'-P energy: -27.798
tors. eta vs tors. theta energy: -4.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 201
Temperature: 1.300000
Total energy: -278.721628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.721628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.721628 (E_RNA)
where:
Base-Base interactions energy: -93.671
where: short stacking energy: -72.744
Base-Backbone interact. energy: -0.864
local terms energy: -184.186357
where:
bonds (distance) C4'-P energy: -58.007
bonds (distance) P-C4' energy: -69.876
flat angles C4'-P-C4' energy: -46.942
flat angles P-C4'-P energy: -27.767
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: 10, replica: 8
=====================================
Write number: 201
Temperature: 1.350000
Total energy: -274.631753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.631753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.631753 (E_RNA)
where:
Base-Base interactions energy: -112.811
where: short stacking energy: -63.424
Base-Backbone interact. energy: -1.653
local terms energy: -160.167929
where:
bonds (distance) C4'-P energy: -49.724
bonds (distance) P-C4' energy: -60.057
flat angles C4'-P-C4' energy: -45.025
flat angles P-C4'-P energy: -30.365
tors. eta vs tors. theta energy: 25.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 202
Temperature: 0.900000
Total energy: -1093.036017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1093.036017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1093.036017 (E_RNA)
where:
Base-Base interactions energy: -702.864
where: short stacking energy: -338.452
Base-Backbone interact. energy: -0.783
local terms energy: -389.389324
where:
bonds (distance) C4'-P energy: -69.467
bonds (distance) P-C4' energy: -72.883
flat angles C4'-P-C4' energy: -80.398
flat angles P-C4'-P energy: -51.611
tors. eta vs tors. theta energy: -115.031
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: 2, replica: 5
=====================================
Write number: 202
Temperature: 0.950000
Total energy: -1011.673262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1011.673262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1011.673262 (E_RNA)
where:
Base-Base interactions energy: -648.659
where: short stacking energy: -320.268
Base-Backbone interact. energy: 1.040
local terms energy: -364.054538
where:
bonds (distance) C4'-P energy: -69.470
bonds (distance) P-C4' energy: -67.571
flat angles C4'-P-C4' energy: -67.291
flat angles P-C4'-P energy: -54.520
tors. eta vs tors. theta energy: -105.202
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: 1
=====================================
Write number: 202
Temperature: 1.000000
Total energy: -992.882319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -992.882319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -992.882319 (E_RNA)
where:
Base-Base interactions energy: -645.553
where: short stacking energy: -283.574
Base-Backbone interact. energy: -1.144
local terms energy: -346.184846
where:
bonds (distance) C4'-P energy: -60.569
bonds (distance) P-C4' energy: -69.576
flat angles C4'-P-C4' energy: -84.893
flat angles P-C4'-P energy: -35.703
tors. eta vs tors. theta energy: -95.444
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 202
Temperature: 1.050000
Total energy: -712.926795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -712.926795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -712.926795 (E_RNA)
where:
Base-Base interactions energy: -418.907
where: short stacking energy: -218.867
Base-Backbone interact. energy: 1.280
local terms energy: -295.299963
where:
bonds (distance) C4'-P energy: -69.242
bonds (distance) P-C4' energy: -67.416
flat angles C4'-P-C4' energy: -66.108
flat angles P-C4'-P energy: -44.899
tors. eta vs tors. theta energy: -47.635
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 202
Temperature: 1.100000
Total energy: -707.753579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -707.753579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -707.753579 (E_RNA)
where:
Base-Base interactions energy: -421.210
where: short stacking energy: -202.041
Base-Backbone interact. energy: -1.266
local terms energy: -285.277721
where:
bonds (distance) C4'-P energy: -64.449
bonds (distance) P-C4' energy: -65.448
flat angles C4'-P-C4' energy: -63.285
flat angles P-C4'-P energy: -37.024
tors. eta vs tors. theta energy: -55.071
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: 2
=====================================
Write number: 202
Temperature: 1.150000
Total energy: -516.625207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.625207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.625207 (E_RNA)
where:
Base-Base interactions energy: -274.037
where: short stacking energy: -141.640
Base-Backbone interact. energy: -0.510
local terms energy: -242.078395
where:
bonds (distance) C4'-P energy: -53.318
bonds (distance) P-C4' energy: -76.877
flat angles C4'-P-C4' energy: -58.937
flat angles P-C4'-P energy: -34.834
tors. eta vs tors. theta energy: -18.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 202
Temperature: 1.200000
Total energy: -428.990149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -428.990149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -428.990149 (E_RNA)
where:
Base-Base interactions energy: -196.085
where: short stacking energy: -129.056
Base-Backbone interact. energy: 2.510
local terms energy: -235.415204
where:
bonds (distance) C4'-P energy: -49.876
bonds (distance) P-C4' energy: -67.154
flat angles C4'-P-C4' energy: -63.506
flat angles P-C4'-P energy: -37.028
tors. eta vs tors. theta energy: -17.851
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 202
Temperature: 1.250000
Total energy: -330.269923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.269923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.269923 (E_RNA)
where:
Base-Base interactions energy: -123.043
where: short stacking energy: -107.477
Base-Backbone interact. energy: -1.485
local terms energy: -205.741822
where:
bonds (distance) C4'-P energy: -60.913
bonds (distance) P-C4' energy: -57.196
flat angles C4'-P-C4' energy: -52.489
flat angles P-C4'-P energy: -24.754
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: 8
=====================================
Write number: 202
Temperature: 1.300000
Total energy: -283.971206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.971206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.971206 (E_RNA)
where:
Base-Base interactions energy: -99.708
where: short stacking energy: -69.726
Base-Backbone interact. energy: -1.458
local terms energy: -182.805905
where:
bonds (distance) C4'-P energy: -53.714
bonds (distance) P-C4' energy: -60.011
flat angles C4'-P-C4' energy: -58.727
flat angles P-C4'-P energy: -22.620
tors. eta vs tors. theta energy: 12.266
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 202
Temperature: 1.350000
Total energy: -272.438317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.438317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.438317 (E_RNA)
where:
Base-Base interactions energy: -87.912
where: short stacking energy: -60.613
Base-Backbone interact. energy: -1.907
local terms energy: -182.618763
where:
bonds (distance) C4'-P energy: -53.924
bonds (distance) P-C4' energy: -64.572
flat angles C4'-P-C4' energy: -48.337
flat angles P-C4'-P energy: -22.169
tors. eta vs tors. theta energy: 6.383
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: 4
=====================================
Write number: 203
Temperature: 0.900000
Total energy: -1113.440169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1113.440169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1113.440169 (E_RNA)
where:
Base-Base interactions energy: -739.953
where: short stacking energy: -334.148
Base-Backbone interact. energy: 3.771
local terms energy: -377.258354
where:
bonds (distance) C4'-P energy: -66.279
bonds (distance) P-C4' energy: -67.794
flat angles C4'-P-C4' energy: -75.563
flat angles P-C4'-P energy: -50.892
tors. eta vs tors. theta energy: -116.730
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: 1
=====================================
Write number: 203
Temperature: 0.950000
Total energy: -1030.156474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1030.156474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1030.156474 (E_RNA)
where:
Base-Base interactions energy: -679.165
where: short stacking energy: -310.953
Base-Backbone interact. energy: 0.666
local terms energy: -351.657658
where:
bonds (distance) C4'-P energy: -62.982
bonds (distance) P-C4' energy: -61.727
flat angles C4'-P-C4' energy: -77.324
flat angles P-C4'-P energy: -45.382
tors. eta vs tors. theta energy: -104.243
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: 5
=====================================
Write number: 203
Temperature: 1.000000
Total energy: -981.556420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -981.556420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -981.556420 (E_RNA)
where:
Base-Base interactions energy: -633.107
where: short stacking energy: -285.693
Base-Backbone interact. energy: -0.369
local terms energy: -348.080778
where:
bonds (distance) C4'-P energy: -60.924
bonds (distance) P-C4' energy: -66.448
flat angles C4'-P-C4' energy: -79.274
flat angles P-C4'-P energy: -48.878
tors. eta vs tors. theta energy: -92.557
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: 3
=====================================
Write number: 203
Temperature: 1.050000
Total energy: -726.684614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -726.684614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -726.684614 (E_RNA)
where:
Base-Base interactions energy: -413.786
where: short stacking energy: -210.227
Base-Backbone interact. energy: -3.190
local terms energy: -309.708561
where:
bonds (distance) C4'-P energy: -64.815
bonds (distance) P-C4' energy: -69.711
flat angles C4'-P-C4' energy: -68.147
flat angles P-C4'-P energy: -48.260
tors. eta vs tors. theta energy: -58.776
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 203
Temperature: 1.100000
Total energy: -676.201353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -676.201353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -676.201353 (E_RNA)
where:
Base-Base interactions energy: -418.906
where: short stacking energy: -188.067
Base-Backbone interact. energy: 8.597
local terms energy: -265.892418
where:
bonds (distance) C4'-P energy: -64.873
bonds (distance) P-C4' energy: -64.127
flat angles C4'-P-C4' energy: -58.774
flat angles P-C4'-P energy: -35.792
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: 6, replica: 2
=====================================
Write number: 203
Temperature: 1.150000
Total energy: -502.348604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.348604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.348604 (E_RNA)
where:
Base-Base interactions energy: -277.162
where: short stacking energy: -139.967
Base-Backbone interact. energy: -0.497
local terms energy: -224.689808
where:
bonds (distance) C4'-P energy: -53.194
bonds (distance) P-C4' energy: -56.998
flat angles C4'-P-C4' energy: -56.960
flat angles P-C4'-P energy: -30.097
tors. eta vs tors. theta energy: -27.442
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: 10
=====================================
Write number: 203
Temperature: 1.200000
Total energy: -442.263696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -442.263696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -442.263696 (E_RNA)
where:
Base-Base interactions energy: -201.895
where: short stacking energy: -129.270
Base-Backbone interact. energy: -0.521
local terms energy: -239.848156
where:
bonds (distance) C4'-P energy: -65.277
bonds (distance) P-C4' energy: -54.652
flat angles C4'-P-C4' energy: -66.081
flat angles P-C4'-P energy: -39.822
tors. eta vs tors. theta energy: -14.017
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: 9
=====================================
Write number: 203
Temperature: 1.250000
Total energy: -320.219822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.219822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.219822 (E_RNA)
where:
Base-Base interactions energy: -126.969
where: short stacking energy: -86.356
Base-Backbone interact. energy: 3.715
local terms energy: -196.965711
where:
bonds (distance) C4'-P energy: -58.726
bonds (distance) P-C4' energy: -64.831
flat angles C4'-P-C4' energy: -52.554
flat angles P-C4'-P energy: -26.534
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: 9, replica: 8
=====================================
Write number: 203
Temperature: 1.300000
Total energy: -293.912101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.912101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.912101 (E_RNA)
where:
Base-Base interactions energy: -129.853
where: short stacking energy: -89.944
Base-Backbone interact. energy: 0.754
local terms energy: -164.812954
where:
bonds (distance) C4'-P energy: -48.276
bonds (distance) P-C4' energy: -63.544
flat angles C4'-P-C4' energy: -31.430
flat angles P-C4'-P energy: -31.898
tors. eta vs tors. theta energy: 10.335
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: 203
Temperature: 1.350000
Total energy: -267.406402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.406402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.406402 (E_RNA)
where:
Base-Base interactions energy: -105.028
where: short stacking energy: -57.536
Base-Backbone interact. energy: -1.927
local terms energy: -160.451371
where:
bonds (distance) C4'-P energy: -63.334
bonds (distance) P-C4' energy: -51.103
flat angles C4'-P-C4' energy: -53.952
flat angles P-C4'-P energy: -24.865
tors. eta vs tors. theta energy: 32.803
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 204
Temperature: 0.900000
Total energy: -1111.409921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1111.409921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1111.409921 (E_RNA)
where:
Base-Base interactions energy: -727.907
where: short stacking energy: -347.926
Base-Backbone interact. energy: -1.464
local terms energy: -382.038634
where:
bonds (distance) C4'-P energy: -75.985
bonds (distance) P-C4' energy: -69.006
flat angles C4'-P-C4' energy: -78.593
flat angles P-C4'-P energy: -49.952
tors. eta vs tors. theta energy: -108.503
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: 2, replica: 1
=====================================
Write number: 204
Temperature: 0.950000
Total energy: -1029.281619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1029.281619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1029.281619 (E_RNA)
where:
Base-Base interactions energy: -688.201
where: short stacking energy: -288.724
Base-Backbone interact. energy: 1.203
local terms energy: -342.283185
where:
bonds (distance) C4'-P energy: -65.559
bonds (distance) P-C4' energy: -70.124
flat angles C4'-P-C4' energy: -68.356
flat angles P-C4'-P energy: -37.959
tors. eta vs tors. theta energy: -100.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 204
Temperature: 1.000000
Total energy: -949.932761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -949.932761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -949.932761 (E_RNA)
where:
Base-Base interactions energy: -608.822
where: short stacking energy: -283.799
Base-Backbone interact. energy: -0.895
local terms energy: -340.215437
where:
bonds (distance) C4'-P energy: -61.893
bonds (distance) P-C4' energy: -67.524
flat angles C4'-P-C4' energy: -75.670
flat angles P-C4'-P energy: -46.519
tors. eta vs tors. theta energy: -88.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 204
Temperature: 1.050000
Total energy: -752.204749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -752.204749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -752.204749 (E_RNA)
where:
Base-Base interactions energy: -439.260
where: short stacking energy: -197.546
Base-Backbone interact. energy: 0.900
local terms energy: -313.845650
where:
bonds (distance) C4'-P energy: -67.904
bonds (distance) P-C4' energy: -69.779
flat angles C4'-P-C4' energy: -77.138
flat angles P-C4'-P energy: -48.175
tors. eta vs tors. theta energy: -50.848
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: 6
=====================================
Write number: 204
Temperature: 1.100000
Total energy: -661.371490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -661.371490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -661.371490 (E_RNA)
where:
Base-Base interactions energy: -384.879
where: short stacking energy: -201.561
Base-Backbone interact. energy: -2.206
local terms energy: -274.286754
where:
bonds (distance) C4'-P energy: -61.392
bonds (distance) P-C4' energy: -65.304
flat angles C4'-P-C4' energy: -65.061
flat angles P-C4'-P energy: -39.669
tors. eta vs tors. theta energy: -42.861
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 204
Temperature: 1.150000
Total energy: -530.612094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.612094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.612094 (E_RNA)
where:
Base-Base interactions energy: -277.022
where: short stacking energy: -140.994
Base-Backbone interact. energy: -1.347
local terms energy: -252.242888
where:
bonds (distance) C4'-P energy: -63.526
bonds (distance) P-C4' energy: -62.078
flat angles C4'-P-C4' energy: -60.364
flat angles P-C4'-P energy: -39.562
tors. eta vs tors. theta energy: -26.714
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 204
Temperature: 1.200000
Total energy: -441.394932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -441.394932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -441.394932 (E_RNA)
where:
Base-Base interactions energy: -233.448
where: short stacking energy: -117.923
Base-Backbone interact. energy: -1.536
local terms energy: -206.410592
where:
bonds (distance) C4'-P energy: -71.306
bonds (distance) P-C4' energy: -65.188
flat angles C4'-P-C4' energy: -44.586
flat angles P-C4'-P energy: -13.057
tors. eta vs tors. theta energy: -12.274
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 204
Temperature: 1.250000
Total energy: -359.412811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.412811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.412811 (E_RNA)
where:
Base-Base interactions energy: -159.875
where: short stacking energy: -74.912
Base-Backbone interact. energy: 1.654
local terms energy: -201.191682
where:
bonds (distance) C4'-P energy: -73.569
bonds (distance) P-C4' energy: -49.544
flat angles C4'-P-C4' energy: -55.195
flat angles P-C4'-P energy: -31.449
tors. eta vs tors. theta energy: 8.565
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 204
Temperature: 1.300000
Total energy: -285.910323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.910323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.910323 (E_RNA)
where:
Base-Base interactions energy: -78.305
where: short stacking energy: -71.361
Base-Backbone interact. energy: 1.319
local terms energy: -208.923857
where:
bonds (distance) C4'-P energy: -51.768
bonds (distance) P-C4' energy: -66.701
flat angles C4'-P-C4' energy: -55.878
flat angles P-C4'-P energy: -41.497
tors. eta vs tors. theta energy: 6.921
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 204
Temperature: 1.350000
Total energy: -293.792412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.792412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.792412 (E_RNA)
where:
Base-Base interactions energy: -80.495
where: short stacking energy: -63.861
Base-Backbone interact. energy: 1.240
local terms energy: -214.537383
where:
bonds (distance) C4'-P energy: -62.291
bonds (distance) P-C4' energy: -66.979
flat angles C4'-P-C4' energy: -53.405
flat angles P-C4'-P energy: -39.892
tors. eta vs tors. theta energy: 8.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 205
Temperature: 0.900000
Total energy: -1108.772098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1108.772098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1108.772098 (E_RNA)
where:
Base-Base interactions energy: -724.663
where: short stacking energy: -350.149
Base-Backbone interact. energy: -0.614
local terms energy: -383.494190
where:
bonds (distance) C4'-P energy: -80.093
bonds (distance) P-C4' energy: -65.772
flat angles C4'-P-C4' energy: -80.480
flat angles P-C4'-P energy: -49.010
tors. eta vs tors. theta energy: -108.139
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 205
Temperature: 0.950000
Total energy: -1048.856931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1048.856931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1048.856931 (E_RNA)
where:
Base-Base interactions energy: -713.466
where: short stacking energy: -314.134
Base-Backbone interact. energy: 0.562
local terms energy: -335.953037
where:
bonds (distance) C4'-P energy: -60.892
bonds (distance) P-C4' energy: -63.107
flat angles C4'-P-C4' energy: -75.446
flat angles P-C4'-P energy: -41.393
tors. eta vs tors. theta energy: -95.115
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: 5
=====================================
Write number: 205
Temperature: 1.000000
Total energy: -969.215226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -969.215226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -969.215226 (E_RNA)
where:
Base-Base interactions energy: -624.982
where: short stacking energy: -298.277
Base-Backbone interact. energy: -0.874
local terms energy: -343.359363
where:
bonds (distance) C4'-P energy: -62.918
bonds (distance) P-C4' energy: -66.276
flat angles C4'-P-C4' energy: -71.505
flat angles P-C4'-P energy: -49.344
tors. eta vs tors. theta energy: -93.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 205
Temperature: 1.050000
Total energy: -798.351901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -798.351901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -798.351901 (E_RNA)
where:
Base-Base interactions energy: -488.142
where: short stacking energy: -234.020
Base-Backbone interact. energy: 1.011
local terms energy: -311.221160
where:
bonds (distance) C4'-P energy: -63.310
bonds (distance) P-C4' energy: -67.258
flat angles C4'-P-C4' energy: -65.508
flat angles P-C4'-P energy: -45.924
tors. eta vs tors. theta energy: -69.221
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: 5, replica: 6
=====================================
Write number: 205
Temperature: 1.100000
Total energy: -700.025589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -700.025589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -700.025589 (E_RNA)
where:
Base-Base interactions energy: -422.818
where: short stacking energy: -212.945
Base-Backbone interact. energy: -0.539
local terms energy: -276.668632
where:
bonds (distance) C4'-P energy: -63.625
bonds (distance) P-C4' energy: -53.715
flat angles C4'-P-C4' energy: -72.572
flat angles P-C4'-P energy: -42.014
tors. eta vs tors. theta energy: -44.743
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: 2
=====================================
Write number: 205
Temperature: 1.150000
Total energy: -538.635758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.635758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.635758 (E_RNA)
where:
Base-Base interactions energy: -277.760
where: short stacking energy: -154.806
Base-Backbone interact. energy: 1.438
local terms energy: -262.313572
where:
bonds (distance) C4'-P energy: -68.185
bonds (distance) P-C4' energy: -74.487
flat angles C4'-P-C4' energy: -54.436
flat angles P-C4'-P energy: -45.509
tors. eta vs tors. theta energy: -19.696
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 205
Temperature: 1.200000
Total energy: -426.450837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -426.450837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -426.450837 (E_RNA)
where:
Base-Base interactions energy: -207.677
where: short stacking energy: -121.716
Base-Backbone interact. energy: 0.207
local terms energy: -218.980604
where:
bonds (distance) C4'-P energy: -54.786
bonds (distance) P-C4' energy: -58.532
flat angles C4'-P-C4' energy: -53.744
flat angles P-C4'-P energy: -34.311
tors. eta vs tors. theta energy: -17.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 205
Temperature: 1.250000
Total energy: -318.607286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.607286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.607286 (E_RNA)
where:
Base-Base interactions energy: -112.967
where: short stacking energy: -107.844
Base-Backbone interact. energy: 0.428
local terms energy: -206.068269
where:
bonds (distance) C4'-P energy: -60.128
bonds (distance) P-C4' energy: -70.435
flat angles C4'-P-C4' energy: -43.137
flat angles P-C4'-P energy: -26.116
tors. eta vs tors. theta energy: -6.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 205
Temperature: 1.300000
Total energy: -300.561451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.561451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.561451 (E_RNA)
where:
Base-Base interactions energy: -90.683
where: short stacking energy: -79.460
Base-Backbone interact. energy: -0.683
local terms energy: -209.195992
where:
bonds (distance) C4'-P energy: -61.648
bonds (distance) P-C4' energy: -63.339
flat angles C4'-P-C4' energy: -50.603
flat angles P-C4'-P energy: -37.915
tors. eta vs tors. theta energy: 4.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 205
Temperature: 1.350000
Total energy: -262.504989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.504989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.504989 (E_RNA)
where:
Base-Base interactions energy: -89.404
where: short stacking energy: -71.903
Base-Backbone interact. energy: -1.906
local terms energy: -171.194652
where:
bonds (distance) C4'-P energy: -52.137
bonds (distance) P-C4' energy: -65.925
flat angles C4'-P-C4' energy: -51.719
flat angles P-C4'-P energy: -10.185
tors. eta vs tors. theta energy: 8.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 206
Temperature: 0.900000
Total energy: -1077.818115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1077.818115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1077.818115 (E_RNA)
where:
Base-Base interactions energy: -713.968
where: short stacking energy: -331.875
Base-Backbone interact. energy: -0.411
local terms energy: -363.439101
where:
bonds (distance) C4'-P energy: -58.942
bonds (distance) P-C4' energy: -69.870
flat angles C4'-P-C4' energy: -82.097
flat angles P-C4'-P energy: -43.393
tors. eta vs tors. theta energy: -109.138
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 206
Temperature: 0.950000
Total energy: -1042.890272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1042.890272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1042.890272 (E_RNA)
where:
Base-Base interactions energy: -689.967
where: short stacking energy: -315.533
Base-Backbone interact. energy: -1.572
local terms energy: -351.351551
where:
bonds (distance) C4'-P energy: -69.746
bonds (distance) P-C4' energy: -69.582
flat angles C4'-P-C4' energy: -70.777
flat angles P-C4'-P energy: -42.290
tors. eta vs tors. theta energy: -98.957
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: 5
=====================================
Write number: 206
Temperature: 1.000000
Total energy: -982.889390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -982.889390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -982.889390 (E_RNA)
where:
Base-Base interactions energy: -643.218
where: short stacking energy: -323.628
Base-Backbone interact. energy: 0.369
local terms energy: -340.040755
where:
bonds (distance) C4'-P energy: -60.498
bonds (distance) P-C4' energy: -62.403
flat angles C4'-P-C4' energy: -69.815
flat angles P-C4'-P energy: -46.220
tors. eta vs tors. theta energy: -101.104
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: 3
=====================================
Write number: 206
Temperature: 1.050000
Total energy: -818.947155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -818.947155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -818.947155 (E_RNA)
where:
Base-Base interactions energy: -517.610
where: short stacking energy: -246.279
Base-Backbone interact. energy: -2.028
local terms energy: -299.309508
where:
bonds (distance) C4'-P energy: -58.528
bonds (distance) P-C4' energy: -59.095
flat angles C4'-P-C4' energy: -64.831
flat angles P-C4'-P energy: -44.316
tors. eta vs tors. theta energy: -72.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 206
Temperature: 1.100000
Total energy: -681.841276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -681.841276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -681.841276 (E_RNA)
where:
Base-Base interactions energy: -405.560
where: short stacking energy: -206.529
Base-Backbone interact. energy: -0.386
local terms energy: -275.895142
where:
bonds (distance) C4'-P energy: -47.630
bonds (distance) P-C4' energy: -72.635
flat angles C4'-P-C4' energy: -70.427
flat angles P-C4'-P energy: -42.282
tors. eta vs tors. theta energy: -42.921
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: 2
=====================================
Write number: 206
Temperature: 1.150000
Total energy: -516.567639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.567639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.567639 (E_RNA)
where:
Base-Base interactions energy: -269.762
where: short stacking energy: -136.877
Base-Backbone interact. energy: -2.994
local terms energy: -243.811528
where:
bonds (distance) C4'-P energy: -60.314
bonds (distance) P-C4' energy: -64.933
flat angles C4'-P-C4' energy: -67.052
flat angles P-C4'-P energy: -44.859
tors. eta vs tors. theta energy: -6.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 206
Temperature: 1.200000
Total energy: -419.160737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.160737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.160737 (E_RNA)
where:
Base-Base interactions energy: -211.121
where: short stacking energy: -113.092
Base-Backbone interact. energy: 3.972
local terms energy: -212.011640
where:
bonds (distance) C4'-P energy: -61.112
bonds (distance) P-C4' energy: -60.392
flat angles C4'-P-C4' energy: -47.582
flat angles P-C4'-P energy: -34.530
tors. eta vs tors. theta energy: -8.395
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: 8, replica: 9
=====================================
Write number: 206
Temperature: 1.250000
Total energy: -309.074126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.074126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.074126 (E_RNA)
where:
Base-Base interactions energy: -119.424
where: short stacking energy: -76.776
Base-Backbone interact. energy: -1.221
local terms energy: -188.429208
where:
bonds (distance) C4'-P energy: -67.774
bonds (distance) P-C4' energy: -58.774
flat angles C4'-P-C4' energy: -41.099
flat angles P-C4'-P energy: -28.790
tors. eta vs tors. theta energy: 8.007
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: 7
=====================================
Write number: 206
Temperature: 1.300000
Total energy: -326.626859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.626859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.626859 (E_RNA)
where:
Base-Base interactions energy: -113.463
where: short stacking energy: -70.845
Base-Backbone interact. energy: -0.696
local terms energy: -212.467406
where:
bonds (distance) C4'-P energy: -61.128
bonds (distance) P-C4' energy: -63.040
flat angles C4'-P-C4' energy: -61.887
flat angles P-C4'-P energy: -31.775
tors. eta vs tors. theta energy: 5.363
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 206
Temperature: 1.350000
Total energy: -267.759088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.759088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.759088 (E_RNA)
where:
Base-Base interactions energy: -94.785
where: short stacking energy: -67.600
Base-Backbone interact. energy: -0.885
local terms energy: -172.089186
where:
bonds (distance) C4'-P energy: -60.924
bonds (distance) P-C4' energy: -46.593
flat angles C4'-P-C4' energy: -64.521
flat angles P-C4'-P energy: -19.898
tors. eta vs tors. theta energy: 19.847
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: 1, replica: 4
=====================================
Write number: 207
Temperature: 0.900000
Total energy: -1100.516681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1100.516681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1100.516681 (E_RNA)
where:
Base-Base interactions energy: -725.964
where: short stacking energy: -333.465
Base-Backbone interact. energy: 2.655
local terms energy: -377.207888
where:
bonds (distance) C4'-P energy: -65.718
bonds (distance) P-C4' energy: -68.529
flat angles C4'-P-C4' energy: -81.829
flat angles P-C4'-P energy: -56.268
tors. eta vs tors. theta energy: -104.864
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 207
Temperature: 0.950000
Total energy: -1033.190543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1033.190543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1033.190543 (E_RNA)
where:
Base-Base interactions energy: -685.667
where: short stacking energy: -321.493
Base-Backbone interact. energy: -0.991
local terms energy: -346.532719
where:
bonds (distance) C4'-P energy: -56.563
bonds (distance) P-C4' energy: -59.752
flat angles C4'-P-C4' energy: -81.762
flat angles P-C4'-P energy: -49.208
tors. eta vs tors. theta energy: -99.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 207
Temperature: 1.000000
Total energy: -959.826931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -959.826931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -959.826931 (E_RNA)
where:
Base-Base interactions energy: -606.322
where: short stacking energy: -291.392
Base-Backbone interact. energy: -1.858
local terms energy: -351.646551
where:
bonds (distance) C4'-P energy: -69.838
bonds (distance) P-C4' energy: -64.748
flat angles C4'-P-C4' energy: -65.702
flat angles P-C4'-P energy: -55.429
tors. eta vs tors. theta energy: -95.930
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 207
Temperature: 1.050000
Total energy: -802.076973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -802.076973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -802.076973 (E_RNA)
where:
Base-Base interactions energy: -491.583
where: short stacking energy: -238.830
Base-Backbone interact. energy: -1.377
local terms energy: -309.117679
where:
bonds (distance) C4'-P energy: -62.967
bonds (distance) P-C4' energy: -62.179
flat angles C4'-P-C4' energy: -67.408
flat angles P-C4'-P energy: -43.864
tors. eta vs tors. theta energy: -72.700
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 207
Temperature: 1.100000
Total energy: -726.451766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -726.451766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -726.451766 (E_RNA)
where:
Base-Base interactions energy: -450.383
where: short stacking energy: -228.445
Base-Backbone interact. energy: -0.841
local terms energy: -275.227951
where:
bonds (distance) C4'-P energy: -62.226
bonds (distance) P-C4' energy: -61.157
flat angles C4'-P-C4' energy: -66.092
flat angles P-C4'-P energy: -35.163
tors. eta vs tors. theta energy: -50.590
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: 6, replica: 10
=====================================
Write number: 207
Temperature: 1.150000
Total energy: -529.263401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.263401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.263401 (E_RNA)
where:
Base-Base interactions energy: -286.671
where: short stacking energy: -164.012
Base-Backbone interact. energy: 2.350
local terms energy: -244.942527
where:
bonds (distance) C4'-P energy: -56.086
bonds (distance) P-C4' energy: -64.084
flat angles C4'-P-C4' energy: -53.129
flat angles P-C4'-P energy: -36.738
tors. eta vs tors. theta energy: -34.905
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: 2
=====================================
Write number: 207
Temperature: 1.200000
Total energy: -511.804738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.804738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.804738 (E_RNA)
where:
Base-Base interactions energy: -285.458
where: short stacking energy: -147.058
Base-Backbone interact. energy: 1.154
local terms energy: -227.500781
where:
bonds (distance) C4'-P energy: -56.750
bonds (distance) P-C4' energy: -57.054
flat angles C4'-P-C4' energy: -60.173
flat angles P-C4'-P energy: -33.950
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: 7
=====================================
Write number: 207
Temperature: 1.250000
Total energy: -316.618839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.618839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.618839 (E_RNA)
where:
Base-Base interactions energy: -109.274
where: short stacking energy: -76.752
Base-Backbone interact. energy: -1.738
local terms energy: -205.606909
where:
bonds (distance) C4'-P energy: -60.723
bonds (distance) P-C4' energy: -63.088
flat angles C4'-P-C4' energy: -51.872
flat angles P-C4'-P energy: -31.138
tors. eta vs tors. theta energy: 1.215
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 207
Temperature: 1.300000
Total energy: -292.301052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.301052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.301052 (E_RNA)
where:
Base-Base interactions energy: -123.992
where: short stacking energy: -76.263
Base-Backbone interact. energy: 1.405
local terms energy: -169.714004
where:
bonds (distance) C4'-P energy: -39.172
bonds (distance) P-C4' energy: -61.273
flat angles C4'-P-C4' energy: -44.630
flat angles P-C4'-P energy: -31.593
tors. eta vs tors. theta energy: 6.954
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 207
Temperature: 1.350000
Total energy: -282.880645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.880645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.880645 (E_RNA)
where:
Base-Base interactions energy: -95.722
where: short stacking energy: -76.392
Base-Backbone interact. energy: -0.786
local terms energy: -186.372160
where:
bonds (distance) C4'-P energy: -53.511
bonds (distance) P-C4' energy: -56.642
flat angles C4'-P-C4' energy: -50.473
flat angles P-C4'-P energy: -35.269
tors. eta vs tors. theta energy: 9.523
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: 4
=====================================
Write number: 208
Temperature: 0.900000
Total energy: -1091.644737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1091.644737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1091.644737 (E_RNA)
where:
Base-Base interactions energy: -701.841
where: short stacking energy: -329.047
Base-Backbone interact. energy: -0.951
local terms energy: -388.852584
where:
bonds (distance) C4'-P energy: -66.525
bonds (distance) P-C4' energy: -72.306
flat angles C4'-P-C4' energy: -84.185
flat angles P-C4'-P energy: -54.840
tors. eta vs tors. theta energy: -110.997
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: 208
Temperature: 0.950000
Total energy: -1022.282329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1022.282329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1022.282329 (E_RNA)
where:
Base-Base interactions energy: -662.478
where: short stacking energy: -322.222
Base-Backbone interact. energy: -1.145
local terms energy: -358.659194
where:
bonds (distance) C4'-P energy: -72.299
bonds (distance) P-C4' energy: -58.152
flat angles C4'-P-C4' energy: -73.855
flat angles P-C4'-P energy: -48.824
tors. eta vs tors. theta energy: -105.528
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: 5
=====================================
Write number: 208
Temperature: 1.000000
Total energy: -942.581608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -942.581608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -942.581608 (E_RNA)
where:
Base-Base interactions energy: -593.155
where: short stacking energy: -290.552
Base-Backbone interact. energy: 0.073
local terms energy: -349.499896
where:
bonds (distance) C4'-P energy: -71.606
bonds (distance) P-C4' energy: -67.501
flat angles C4'-P-C4' energy: -78.977
flat angles P-C4'-P energy: -46.845
tors. eta vs tors. theta energy: -84.570
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: 3
=====================================
Write number: 208
Temperature: 1.050000
Total energy: -771.655266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -771.655266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -771.655266 (E_RNA)
where:
Base-Base interactions energy: -504.584
where: short stacking energy: -205.502
Base-Backbone interact. energy: 3.992
local terms energy: -271.062830
where:
bonds (distance) C4'-P energy: -56.647
bonds (distance) P-C4' energy: -61.836
flat angles C4'-P-C4' energy: -67.204
flat angles P-C4'-P energy: -31.999
tors. eta vs tors. theta energy: -53.376
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 208
Temperature: 1.100000
Total energy: -656.264545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -656.264545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -656.264545 (E_RNA)
where:
Base-Base interactions energy: -384.847
where: short stacking energy: -203.722
Base-Backbone interact. energy: 0.844
local terms energy: -272.261878
where:
bonds (distance) C4'-P energy: -59.112
bonds (distance) P-C4' energy: -52.342
flat angles C4'-P-C4' energy: -63.368
flat angles P-C4'-P energy: -47.983
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: 6, replica: 10
=====================================
Write number: 208
Temperature: 1.150000
Total energy: -451.610701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -451.610701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -451.610701 (E_RNA)
where:
Base-Base interactions energy: -207.073
where: short stacking energy: -127.446
Base-Backbone interact. energy: -3.078
local terms energy: -241.459686
where:
bonds (distance) C4'-P energy: -60.750
bonds (distance) P-C4' energy: -72.316
flat angles C4'-P-C4' energy: -51.184
flat angles P-C4'-P energy: -34.456
tors. eta vs tors. theta energy: -22.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 208
Temperature: 1.200000
Total energy: -541.742409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.742409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.742409 (E_RNA)
where:
Base-Base interactions energy: -299.179
where: short stacking energy: -143.951
Base-Backbone interact. energy: 1.027
local terms energy: -243.590473
where:
bonds (distance) C4'-P energy: -58.513
bonds (distance) P-C4' energy: -63.375
flat angles C4'-P-C4' energy: -61.074
flat angles P-C4'-P energy: -42.535
tors. eta vs tors. theta energy: -18.093
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 208
Temperature: 1.250000
Total energy: -307.869648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.869648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.869648 (E_RNA)
where:
Base-Base interactions energy: -93.524
where: short stacking energy: -72.655
Base-Backbone interact. energy: -0.864
local terms energy: -213.481153
where:
bonds (distance) C4'-P energy: -60.972
bonds (distance) P-C4' energy: -70.231
flat angles C4'-P-C4' energy: -47.209
flat angles P-C4'-P energy: -40.455
tors. eta vs tors. theta energy: 5.386
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 208
Temperature: 1.300000
Total energy: -301.175597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.175597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.175597 (E_RNA)
where:
Base-Base interactions energy: -115.974
where: short stacking energy: -111.038
Base-Backbone interact. energy: -0.492
local terms energy: -184.709354
where:
bonds (distance) C4'-P energy: -55.077
bonds (distance) P-C4' energy: -61.399
flat angles C4'-P-C4' energy: -42.996
flat angles P-C4'-P energy: -23.780
tors. eta vs tors. theta energy: -1.458
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: 8
=====================================
Write number: 208
Temperature: 1.350000
Total energy: -275.832308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.832308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.832308 (E_RNA)
where:
Base-Base interactions energy: -92.289
where: short stacking energy: -80.833
Base-Backbone interact. energy: -2.754
local terms energy: -180.789551
where:
bonds (distance) C4'-P energy: -44.409
bonds (distance) P-C4' energy: -55.374
flat angles C4'-P-C4' energy: -56.831
flat angles P-C4'-P energy: -32.293
tors. eta vs tors. theta energy: 8.117
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 209
Temperature: 0.900000
Total energy: -1090.105845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1090.105845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1090.105845 (E_RNA)
where:
Base-Base interactions energy: -708.517
where: short stacking energy: -333.434
Base-Backbone interact. energy: -1.278
local terms energy: -380.310573
where:
bonds (distance) C4'-P energy: -61.229
bonds (distance) P-C4' energy: -73.240
flat angles C4'-P-C4' energy: -81.032
flat angles P-C4'-P energy: -54.434
tors. eta vs tors. theta energy: -110.376
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: 209
Temperature: 0.950000
Total energy: -1046.048909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1046.048909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1046.048909 (E_RNA)
where:
Base-Base interactions energy: -680.637
where: short stacking energy: -319.208
Base-Backbone interact. energy: -1.053
local terms energy: -364.358650
where:
bonds (distance) C4'-P energy: -69.267
bonds (distance) P-C4' energy: -74.704
flat angles C4'-P-C4' energy: -70.444
flat angles P-C4'-P energy: -41.534
tors. eta vs tors. theta energy: -108.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 209
Temperature: 1.000000
Total energy: -960.704875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -960.704875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -960.704875 (E_RNA)
where:
Base-Base interactions energy: -619.791
where: short stacking energy: -297.591
Base-Backbone interact. energy: 2.515
local terms energy: -343.428490
where:
bonds (distance) C4'-P energy: -67.906
bonds (distance) P-C4' energy: -64.834
flat angles C4'-P-C4' energy: -62.690
flat angles P-C4'-P energy: -55.979
tors. eta vs tors. theta energy: -92.019
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: 4, replica: 3
=====================================
Write number: 209
Temperature: 1.050000
Total energy: -817.374698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -817.374698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -817.374698 (E_RNA)
where:
Base-Base interactions energy: -517.964
where: short stacking energy: -198.630
Base-Backbone interact. energy: 2.988
local terms energy: -302.398732
where:
bonds (distance) C4'-P energy: -67.559
bonds (distance) P-C4' energy: -75.721
flat angles C4'-P-C4' energy: -64.612
flat angles P-C4'-P energy: -43.016
tors. eta vs tors. theta energy: -51.492
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: 5, replica: 6
=====================================
Write number: 209
Temperature: 1.100000
Total energy: -657.507345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -657.507345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -657.507345 (E_RNA)
where:
Base-Base interactions energy: -372.482
where: short stacking energy: -196.590
Base-Backbone interact. energy: -1.588
local terms energy: -283.437753
where:
bonds (distance) C4'-P energy: -74.417
bonds (distance) P-C4' energy: -58.508
flat angles C4'-P-C4' energy: -57.081
flat angles P-C4'-P energy: -45.589
tors. eta vs tors. theta energy: -47.843
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 209
Temperature: 1.150000
Total energy: -562.410468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -562.410468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -562.410468 (E_RNA)
where:
Base-Base interactions energy: -336.636
where: short stacking energy: -167.177
Base-Backbone interact. energy: -0.936
local terms energy: -224.838378
where:
bonds (distance) C4'-P energy: -49.697
bonds (distance) P-C4' energy: -59.794
flat angles C4'-P-C4' energy: -60.261
flat angles P-C4'-P energy: -27.585
tors. eta vs tors. theta energy: -27.501
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: 209
Temperature: 1.200000
Total energy: -448.801428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -448.801428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -448.801428 (E_RNA)
where:
Base-Base interactions energy: -214.478
where: short stacking energy: -144.903
Base-Backbone interact. energy: -1.006
local terms energy: -233.317893
where:
bonds (distance) C4'-P energy: -56.619
bonds (distance) P-C4' energy: -67.075
flat angles C4'-P-C4' energy: -62.144
flat angles P-C4'-P energy: -36.064
tors. eta vs tors. theta energy: -11.416
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 209
Temperature: 1.250000
Total energy: -308.503040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.503040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.503040 (E_RNA)
where:
Base-Base interactions energy: -119.635
where: short stacking energy: -96.119
Base-Backbone interact. energy: 0.488
local terms energy: -189.355814
where:
bonds (distance) C4'-P energy: -59.941
bonds (distance) P-C4' energy: -59.189
flat angles C4'-P-C4' energy: -44.647
flat angles P-C4'-P energy: -31.969
tors. eta vs tors. theta energy: 6.391
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: 9
=====================================
Write number: 209
Temperature: 1.300000
Total energy: -300.320056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.320056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.320056 (E_RNA)
where:
Base-Base interactions energy: -115.615
where: short stacking energy: -97.198
Base-Backbone interact. energy: 2.778
local terms energy: -187.483383
where:
bonds (distance) C4'-P energy: -60.220
bonds (distance) P-C4' energy: -56.387
flat angles C4'-P-C4' energy: -50.026
flat angles P-C4'-P energy: -17.566
tors. eta vs tors. theta energy: -3.284
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: 8
=====================================
Write number: 209
Temperature: 1.350000
Total energy: -270.287380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.287380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.287380 (E_RNA)
where:
Base-Base interactions energy: -79.408
where: short stacking energy: -67.074
Base-Backbone interact. energy: 0.528
local terms energy: -191.406756
where:
bonds (distance) C4'-P energy: -66.084
bonds (distance) P-C4' energy: -60.875
flat angles C4'-P-C4' energy: -53.481
flat angles P-C4'-P energy: -29.783
tors. eta vs tors. theta energy: 18.816
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 210
Temperature: 0.900000
Total energy: -1087.951908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1087.951908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1087.951908 (E_RNA)
where:
Base-Base interactions energy: -704.027
where: short stacking energy: -322.374
Base-Backbone interact. energy: -0.181
local terms energy: -383.743402
where:
bonds (distance) C4'-P energy: -77.455
bonds (distance) P-C4' energy: -66.731
flat angles C4'-P-C4' energy: -68.920
flat angles P-C4'-P energy: -60.156
tors. eta vs tors. theta energy: -110.481
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: 2, replica: 1
=====================================
Write number: 210
Temperature: 0.950000
Total energy: -1028.770812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1028.770812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1028.770812 (E_RNA)
where:
Base-Base interactions energy: -672.000
where: short stacking energy: -318.918
Base-Backbone interact. energy: -1.057
local terms energy: -355.713841
where:
bonds (distance) C4'-P energy: -65.940
bonds (distance) P-C4' energy: -64.963
flat angles C4'-P-C4' energy: -71.125
flat angles P-C4'-P energy: -51.228
tors. eta vs tors. theta energy: -102.458
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: 5
=====================================
Write number: 210
Temperature: 1.000000
Total energy: -978.554009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -978.554009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -978.554009 (E_RNA)
where:
Base-Base interactions energy: -628.610
where: short stacking energy: -277.332
Base-Backbone interact. energy: -1.829
local terms energy: -348.115305
where:
bonds (distance) C4'-P energy: -56.667
bonds (distance) P-C4' energy: -74.650
flat angles C4'-P-C4' energy: -73.416
flat angles P-C4'-P energy: -48.581
tors. eta vs tors. theta energy: -94.801
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: 210
Temperature: 1.050000
Total energy: -735.991936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -735.991936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -735.991936 (E_RNA)
where:
Base-Base interactions energy: -447.419
where: short stacking energy: -212.658
Base-Backbone interact. energy: 2.740
local terms energy: -291.312974
where:
bonds (distance) C4'-P energy: -64.040
bonds (distance) P-C4' energy: -68.522
flat angles C4'-P-C4' energy: -62.548
flat angles P-C4'-P energy: -41.131
tors. eta vs tors. theta energy: -55.073
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 210
Temperature: 1.100000
Total energy: -643.038197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -643.038197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -643.038197 (E_RNA)
where:
Base-Base interactions energy: -367.714
where: short stacking energy: -181.163
Base-Backbone interact. energy: 1.272
local terms energy: -276.596199
where:
bonds (distance) C4'-P energy: -70.951
bonds (distance) P-C4' energy: -64.797
flat angles C4'-P-C4' energy: -67.269
flat angles P-C4'-P energy: -36.781
tors. eta vs tors. theta energy: -36.798
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: 2
=====================================
Write number: 210
Temperature: 1.150000
Total energy: -535.972748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.972748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.972748 (E_RNA)
where:
Base-Base interactions energy: -280.557
where: short stacking energy: -150.977
Base-Backbone interact. energy: 3.171
local terms energy: -258.586194
where:
bonds (distance) C4'-P energy: -64.627
bonds (distance) P-C4' energy: -64.432
flat angles C4'-P-C4' energy: -66.161
flat angles P-C4'-P energy: -35.423
tors. eta vs tors. theta energy: -27.944
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: 7
=====================================
Write number: 210
Temperature: 1.200000
Total energy: -363.807596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.807596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.807596 (E_RNA)
where:
Base-Base interactions energy: -141.226
where: short stacking energy: -108.481
Base-Backbone interact. energy: 1.402
local terms energy: -223.984002
where:
bonds (distance) C4'-P energy: -61.975
bonds (distance) P-C4' energy: -57.735
flat angles C4'-P-C4' energy: -54.590
flat angles P-C4'-P energy: -43.421
tors. eta vs tors. theta energy: -6.264
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: 8, replica: 10
=====================================
Write number: 210
Temperature: 1.250000
Total energy: -403.330496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.330496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -403.330496 (E_RNA)
where:
Base-Base interactions energy: -188.659
where: short stacking energy: -108.508
Base-Backbone interact. energy: 2.115
local terms energy: -216.786475
where:
bonds (distance) C4'-P energy: -51.034
bonds (distance) P-C4' energy: -66.827
flat angles C4'-P-C4' energy: -57.578
flat angles P-C4'-P energy: -32.000
tors. eta vs tors. theta energy: -9.347
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: 9
=====================================
Write number: 210
Temperature: 1.300000
Total energy: -277.194648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.194648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.194648 (E_RNA)
where:
Base-Base interactions energy: -88.186
where: short stacking energy: -72.676
Base-Backbone interact. energy: -1.054
local terms energy: -187.955164
where:
bonds (distance) C4'-P energy: -58.037
bonds (distance) P-C4' energy: -55.760
flat angles C4'-P-C4' energy: -44.705
flat angles P-C4'-P energy: -33.967
tors. eta vs tors. theta energy: 4.514
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 210
Temperature: 1.350000
Total energy: -293.973692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.973692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.973692 (E_RNA)
where:
Base-Base interactions energy: -106.776
where: short stacking energy: -45.279
Base-Backbone interact. energy: 1.801
local terms energy: -188.998627
where:
bonds (distance) C4'-P energy: -64.960
bonds (distance) P-C4' energy: -64.530
flat angles C4'-P-C4' energy: -40.405
flat angles P-C4'-P energy: -31.480
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: 4
=====================================
Write number: 211
Temperature: 0.900000
Total energy: -1056.665108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1056.665108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1056.665108 (E_RNA)
where:
Base-Base interactions energy: -686.478
where: short stacking energy: -334.110
Base-Backbone interact. energy: 0.877
local terms energy: -371.063622
where:
bonds (distance) C4'-P energy: -65.506
bonds (distance) P-C4' energy: -68.074
flat angles C4'-P-C4' energy: -80.746
flat angles P-C4'-P energy: -51.557
tors. eta vs tors. theta energy: -105.182
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 211
Temperature: 0.950000
Total energy: -1017.685044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1017.685044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1017.685044 (E_RNA)
where:
Base-Base interactions energy: -669.521
where: short stacking energy: -308.385
Base-Backbone interact. energy: -1.466
local terms energy: -346.697411
where:
bonds (distance) C4'-P energy: -67.028
bonds (distance) P-C4' energy: -67.372
flat angles C4'-P-C4' energy: -71.663
flat angles P-C4'-P energy: -44.286
tors. eta vs tors. theta energy: -96.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 211
Temperature: 1.000000
Total energy: -923.615871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -923.615871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -923.615871 (E_RNA)
where:
Base-Base interactions energy: -587.604
where: short stacking energy: -274.200
Base-Backbone interact. energy: 1.351
local terms energy: -337.362392
where:
bonds (distance) C4'-P energy: -56.787
bonds (distance) P-C4' energy: -60.207
flat angles C4'-P-C4' energy: -76.620
flat angles P-C4'-P energy: -51.867
tors. eta vs tors. theta energy: -91.881
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: 4, replica: 3
=====================================
Write number: 211
Temperature: 1.050000
Total energy: -808.089045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -808.089045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -808.089045 (E_RNA)
where:
Base-Base interactions energy: -511.831
where: short stacking energy: -234.534
Base-Backbone interact. energy: 1.351
local terms energy: -297.608940
where:
bonds (distance) C4'-P energy: -60.116
bonds (distance) P-C4' energy: -60.187
flat angles C4'-P-C4' energy: -62.168
flat angles P-C4'-P energy: -49.580
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: 5, replica: 6
=====================================
Write number: 211
Temperature: 1.100000
Total energy: -637.198610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -637.198610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -637.198610 (E_RNA)
where:
Base-Base interactions energy: -398.214
where: short stacking energy: -211.441
Base-Backbone interact. energy: -0.181
local terms energy: -238.804270
where:
bonds (distance) C4'-P energy: -52.146
bonds (distance) P-C4' energy: -57.406
flat angles C4'-P-C4' energy: -47.316
flat angles P-C4'-P energy: -43.152
tors. eta vs tors. theta energy: -38.785
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: 2
=====================================
Write number: 211
Temperature: 1.150000
Total energy: -591.154744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -591.154744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -591.154744 (E_RNA)
where:
Base-Base interactions energy: -363.287
where: short stacking energy: -179.698
Base-Backbone interact. energy: 0.637
local terms energy: -228.505063
where:
bonds (distance) C4'-P energy: -51.520
bonds (distance) P-C4' energy: -64.677
flat angles C4'-P-C4' energy: -54.569
flat angles P-C4'-P energy: -29.303
tors. eta vs tors. theta energy: -28.436
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: 7
=====================================
Write number: 211
Temperature: 1.200000
Total energy: -346.431990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.431990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.431990 (E_RNA)
where:
Base-Base interactions energy: -135.596
where: short stacking energy: -113.499
Base-Backbone interact. energy: -0.720
local terms energy: -210.116637
where:
bonds (distance) C4'-P energy: -57.129
bonds (distance) P-C4' energy: -56.206
flat angles C4'-P-C4' energy: -58.008
flat angles P-C4'-P energy: -30.225
tors. eta vs tors. theta energy: -8.548
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: 10
=====================================
Write number: 211
Temperature: 1.250000
Total energy: -363.278916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.278916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.278916 (E_RNA)
where:
Base-Base interactions energy: -150.088
where: short stacking energy: -96.269
Base-Backbone interact. energy: -0.589
local terms energy: -212.601741
where:
bonds (distance) C4'-P energy: -67.294
bonds (distance) P-C4' energy: -72.849
flat angles C4'-P-C4' energy: -53.106
flat angles P-C4'-P energy: -20.408
tors. eta vs tors. theta energy: 1.055
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: 9
=====================================
Write number: 211
Temperature: 1.300000
Total energy: -293.040920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.040920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.040920 (E_RNA)
where:
Base-Base interactions energy: -112.778
where: short stacking energy: -97.563
Base-Backbone interact. energy: 6.771
local terms energy: -187.033834
where:
bonds (distance) C4'-P energy: -51.146
bonds (distance) P-C4' energy: -63.428
flat angles C4'-P-C4' energy: -47.919
flat angles P-C4'-P energy: -31.272
tors. eta vs tors. theta energy: 6.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 211
Temperature: 1.350000
Total energy: -260.994567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.994567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.994567 (E_RNA)
where:
Base-Base interactions energy: -76.039
where: short stacking energy: -73.986
Base-Backbone interact. energy: 1.164
local terms energy: -186.119076
where:
bonds (distance) C4'-P energy: -54.843
bonds (distance) P-C4' energy: -57.065
flat angles C4'-P-C4' energy: -45.697
flat angles P-C4'-P energy: -35.504
tors. eta vs tors. theta energy: 6.990
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: 4
=====================================
Write number: 212
Temperature: 0.900000
Total energy: -1080.436615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1080.436615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1080.436615 (E_RNA)
where:
Base-Base interactions energy: -695.282
where: short stacking energy: -320.258
Base-Backbone interact. energy: -1.393
local terms energy: -383.762131
where:
bonds (distance) C4'-P energy: -69.667
bonds (distance) P-C4' energy: -71.747
flat angles C4'-P-C4' energy: -77.141
flat angles P-C4'-P energy: -55.135
tors. eta vs tors. theta energy: -110.072
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: 212
Temperature: 0.950000
Total energy: -1036.867134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1036.867134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1036.867134 (E_RNA)
where:
Base-Base interactions energy: -677.383
where: short stacking energy: -292.202
Base-Backbone interact. energy: -1.079
local terms energy: -358.405300
where:
bonds (distance) C4'-P energy: -67.007
bonds (distance) P-C4' energy: -67.549
flat angles C4'-P-C4' energy: -74.640
flat angles P-C4'-P energy: -45.419
tors. eta vs tors. theta energy: -103.790
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 212
Temperature: 1.000000
Total energy: -948.313236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -948.313236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -948.313236 (E_RNA)
where:
Base-Base interactions energy: -611.489
where: short stacking energy: -268.938
Base-Backbone interact. energy: -1.318
local terms energy: -335.506153
where:
bonds (distance) C4'-P energy: -60.747
bonds (distance) P-C4' energy: -68.446
flat angles C4'-P-C4' energy: -74.292
flat angles P-C4'-P energy: -50.233
tors. eta vs tors. theta energy: -81.788
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: 3
=====================================
Write number: 212
Temperature: 1.050000
Total energy: -818.168816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -818.168816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -818.168816 (E_RNA)
where:
Base-Base interactions energy: -514.327
where: short stacking energy: -231.621
Base-Backbone interact. energy: -2.030
local terms energy: -301.811595
where:
bonds (distance) C4'-P energy: -59.864
bonds (distance) P-C4' energy: -54.879
flat angles C4'-P-C4' energy: -65.766
flat angles P-C4'-P energy: -54.278
tors. eta vs tors. theta energy: -67.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 212
Temperature: 1.100000
Total energy: -614.682548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -614.682548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -614.682548 (E_RNA)
where:
Base-Base interactions energy: -345.424
where: short stacking energy: -165.915
Base-Backbone interact. energy: 0.903
local terms energy: -270.161611
where:
bonds (distance) C4'-P energy: -65.631
bonds (distance) P-C4' energy: -63.444
flat angles C4'-P-C4' energy: -61.999
flat angles P-C4'-P energy: -42.159
tors. eta vs tors. theta energy: -36.929
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 212
Temperature: 1.150000
Total energy: -587.505766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -587.505766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -587.505766 (E_RNA)
where:
Base-Base interactions energy: -330.240
where: short stacking energy: -163.651
Base-Backbone interact. energy: 2.618
local terms energy: -259.883681
where:
bonds (distance) C4'-P energy: -65.032
bonds (distance) P-C4' energy: -52.408
flat angles C4'-P-C4' energy: -74.869
flat angles P-C4'-P energy: -41.777
tors. eta vs tors. theta energy: -25.797
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: 10
=====================================
Write number: 212
Temperature: 1.200000
Total energy: -415.842503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -415.842503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -415.842503 (E_RNA)
where:
Base-Base interactions energy: -198.111
where: short stacking energy: -120.227
Base-Backbone interact. energy: -1.169
local terms energy: -216.562718
where:
bonds (distance) C4'-P energy: -58.470
bonds (distance) P-C4' energy: -73.508
flat angles C4'-P-C4' energy: -51.239
flat angles P-C4'-P energy: -31.646
tors. eta vs tors. theta energy: -1.699
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: 7
=====================================
Write number: 212
Temperature: 1.250000
Total energy: -306.390971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.390971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.390971 (E_RNA)
where:
Base-Base interactions energy: -104.372
where: short stacking energy: -95.390
Base-Backbone interact. energy: -0.744
local terms energy: -201.275391
where:
bonds (distance) C4'-P energy: -56.762
bonds (distance) P-C4' energy: -69.001
flat angles C4'-P-C4' energy: -42.721
flat angles P-C4'-P energy: -34.020
tors. eta vs tors. theta energy: 1.229
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 212
Temperature: 1.300000
Total energy: -272.281628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.281628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.281628 (E_RNA)
where:
Base-Base interactions energy: -102.633
where: short stacking energy: -67.328
Base-Backbone interact. energy: 2.642
local terms energy: -172.290816
where:
bonds (distance) C4'-P energy: -62.585
bonds (distance) P-C4' energy: -58.290
flat angles C4'-P-C4' energy: -44.906
flat angles P-C4'-P energy: -23.661
tors. eta vs tors. theta energy: 17.151
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 212
Temperature: 1.350000
Total energy: -288.222738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.222738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.222738 (E_RNA)
where:
Base-Base interactions energy: -85.078
where: short stacking energy: -72.996
Base-Backbone interact. energy: -2.096
local terms energy: -201.048692
where:
bonds (distance) C4'-P energy: -70.660
bonds (distance) P-C4' energy: -57.735
flat angles C4'-P-C4' energy: -46.644
flat angles P-C4'-P energy: -27.932
tors. eta vs tors. theta energy: 1.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 213
Temperature: 0.900000
Total energy: -1072.169270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1072.169270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1072.169270 (E_RNA)
where:
Base-Base interactions energy: -710.038
where: short stacking energy: -332.612
Base-Backbone interact. energy: -0.716
local terms energy: -361.415180
where:
bonds (distance) C4'-P energy: -75.149
bonds (distance) P-C4' energy: -50.717
flat angles C4'-P-C4' energy: -71.804
flat angles P-C4'-P energy: -56.575
tors. eta vs tors. theta energy: -107.170
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 213
Temperature: 0.950000
Total energy: -1040.598773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1040.598773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1040.598773 (E_RNA)
where:
Base-Base interactions energy: -703.288
where: short stacking energy: -300.163
Base-Backbone interact. energy: -1.024
local terms energy: -336.287268
where:
bonds (distance) C4'-P energy: -53.932
bonds (distance) P-C4' energy: -63.779
flat angles C4'-P-C4' energy: -75.894
flat angles P-C4'-P energy: -46.783
tors. eta vs tors. theta energy: -95.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 213
Temperature: 1.000000
Total energy: -987.572333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -987.572333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -987.572333 (E_RNA)
where:
Base-Base interactions energy: -635.255
where: short stacking energy: -315.430
Base-Backbone interact. energy: 0.848
local terms energy: -353.164743
where:
bonds (distance) C4'-P energy: -65.374
bonds (distance) P-C4' energy: -68.242
flat angles C4'-P-C4' energy: -73.160
flat angles P-C4'-P energy: -49.816
tors. eta vs tors. theta energy: -96.572
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: 3
=====================================
Write number: 213
Temperature: 1.050000
Total energy: -834.894711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -834.894711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -834.894711 (E_RNA)
where:
Base-Base interactions energy: -544.995
where: short stacking energy: -247.588
Base-Backbone interact. energy: 1.081
local terms energy: -290.980821
where:
bonds (distance) C4'-P energy: -56.842
bonds (distance) P-C4' energy: -65.644
flat angles C4'-P-C4' energy: -65.134
flat angles P-C4'-P energy: -36.737
tors. eta vs tors. theta energy: -66.623
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 213
Temperature: 1.100000
Total energy: -655.125007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -655.125007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -655.125007 (E_RNA)
where:
Base-Base interactions energy: -378.469
where: short stacking energy: -211.970
Base-Backbone interact. energy: 0.259
local terms energy: -276.915171
where:
bonds (distance) C4'-P energy: -63.944
bonds (distance) P-C4' energy: -67.313
flat angles C4'-P-C4' energy: -58.181
flat angles P-C4'-P energy: -43.616
tors. eta vs tors. theta energy: -43.861
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 213
Temperature: 1.150000
Total energy: -605.701724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -605.701724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -605.701724 (E_RNA)
where:
Base-Base interactions energy: -354.972
where: short stacking energy: -170.338
Base-Backbone interact. energy: -1.644
local terms energy: -249.086224
where:
bonds (distance) C4'-P energy: -55.920
bonds (distance) P-C4' energy: -67.465
flat angles C4'-P-C4' energy: -53.643
flat angles P-C4'-P energy: -43.779
tors. eta vs tors. theta energy: -28.279
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 213
Temperature: 1.200000
Total energy: -432.403108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -432.403108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -432.403108 (E_RNA)
where:
Base-Base interactions energy: -190.284
where: short stacking energy: -97.209
Base-Backbone interact. energy: -0.380
local terms energy: -241.739162
where:
bonds (distance) C4'-P energy: -71.276
bonds (distance) P-C4' energy: -63.017
flat angles C4'-P-C4' energy: -58.750
flat angles P-C4'-P energy: -43.448
tors. eta vs tors. theta energy: -5.249
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: 9
=====================================
Write number: 213
Temperature: 1.250000
Total energy: -291.869673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.869673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.869673 (E_RNA)
where:
Base-Base interactions energy: -95.985
where: short stacking energy: -73.753
Base-Backbone interact. energy: 2.066
local terms energy: -197.951015
where:
bonds (distance) C4'-P energy: -56.682
bonds (distance) P-C4' energy: -64.099
flat angles C4'-P-C4' energy: -57.091
flat angles P-C4'-P energy: -35.833
tors. eta vs tors. theta energy: 15.754
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 213
Temperature: 1.300000
Total energy: -280.796106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.796106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.796106 (E_RNA)
where:
Base-Base interactions energy: -79.002
where: short stacking energy: -66.645
Base-Backbone interact. energy: -1.190
local terms energy: -200.603360
where:
bonds (distance) C4'-P energy: -63.743
bonds (distance) P-C4' energy: -67.876
flat angles C4'-P-C4' energy: -39.140
flat angles P-C4'-P energy: -41.617
tors. eta vs tors. theta energy: 11.772
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: 8
=====================================
Write number: 213
Temperature: 1.350000
Total energy: -275.452912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.452912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.452912 (E_RNA)
where:
Base-Base interactions energy: -82.818
where: short stacking energy: -65.439
Base-Backbone interact. energy: 2.362
local terms energy: -194.996343
where:
bonds (distance) C4'-P energy: -49.812
bonds (distance) P-C4' energy: -70.800
flat angles C4'-P-C4' energy: -47.176
flat angles P-C4'-P energy: -39.372
tors. eta vs tors. theta energy: 12.164
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: 1, replica: 4
=====================================
Write number: 214
Temperature: 0.900000
Total energy: -1111.013489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1111.013489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1111.013489 (E_RNA)
where:
Base-Base interactions energy: -730.551
where: short stacking energy: -336.981
Base-Backbone interact. energy: -0.857
local terms energy: -379.605842
where:
bonds (distance) C4'-P energy: -64.189
bonds (distance) P-C4' energy: -61.965
flat angles C4'-P-C4' energy: -78.423
flat angles P-C4'-P energy: -54.844
tors. eta vs tors. theta energy: -120.185
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: 214
Temperature: 0.950000
Total energy: -1050.441648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1050.441648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1050.441648 (E_RNA)
where:
Base-Base interactions energy: -696.386
where: short stacking energy: -306.100
Base-Backbone interact. energy: 0.082
local terms energy: -354.137794
where:
bonds (distance) C4'-P energy: -72.318
bonds (distance) P-C4' energy: -58.893
flat angles C4'-P-C4' energy: -69.767
flat angles P-C4'-P energy: -49.190
tors. eta vs tors. theta energy: -103.970
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 214
Temperature: 1.000000
Total energy: -978.648560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -978.648560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -978.648560 (E_RNA)
where:
Base-Base interactions energy: -630.388
where: short stacking energy: -304.419
Base-Backbone interact. energy: -1.483
local terms energy: -346.777638
where:
bonds (distance) C4'-P energy: -66.175
bonds (distance) P-C4' energy: -60.054
flat angles C4'-P-C4' energy: -74.851
flat angles P-C4'-P energy: -49.600
tors. eta vs tors. theta energy: -96.098
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 214
Temperature: 1.050000
Total energy: -813.533633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -813.533633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -813.533633 (E_RNA)
where:
Base-Base interactions energy: -497.057
where: short stacking energy: -223.591
Base-Backbone interact. energy: -1.113
local terms energy: -315.363468
where:
bonds (distance) C4'-P energy: -70.890
bonds (distance) P-C4' energy: -67.732
flat angles C4'-P-C4' energy: -67.627
flat angles P-C4'-P energy: -44.611
tors. eta vs tors. theta energy: -64.502
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: 6
=====================================
Write number: 214
Temperature: 1.100000
Total energy: -597.231282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -597.231282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -597.231282 (E_RNA)
where:
Base-Base interactions energy: -327.480
where: short stacking energy: -182.088
Base-Backbone interact. energy: 2.271
local terms energy: -272.022688
where:
bonds (distance) C4'-P energy: -73.876
bonds (distance) P-C4' energy: -54.389
flat angles C4'-P-C4' energy: -64.459
flat angles P-C4'-P energy: -40.604
tors. eta vs tors. theta energy: -38.695
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: 2
=====================================
Write number: 214
Temperature: 1.150000
Total energy: -585.572781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -585.572781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -585.572781 (E_RNA)
where:
Base-Base interactions energy: -343.941
where: short stacking energy: -154.465
Base-Backbone interact. energy: -2.144
local terms energy: -239.488562
where:
bonds (distance) C4'-P energy: -55.910
bonds (distance) P-C4' energy: -55.428
flat angles C4'-P-C4' energy: -65.534
flat angles P-C4'-P energy: -43.457
tors. eta vs tors. theta energy: -19.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 214
Temperature: 1.200000
Total energy: -404.563143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -404.563143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -404.563143 (E_RNA)
where:
Base-Base interactions energy: -169.975
where: short stacking energy: -94.959
Base-Backbone interact. energy: -0.203
local terms energy: -234.385252
where:
bonds (distance) C4'-P energy: -61.302
bonds (distance) P-C4' energy: -66.965
flat angles C4'-P-C4' energy: -65.051
flat angles P-C4'-P energy: -27.920
tors. eta vs tors. theta energy: -13.146
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: 9
=====================================
Write number: 214
Temperature: 1.250000
Total energy: -317.526599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.526599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.526599 (E_RNA)
where:
Base-Base interactions energy: -107.603
where: short stacking energy: -96.667
Base-Backbone interact. energy: -0.945
local terms energy: -208.978674
where:
bonds (distance) C4'-P energy: -58.756
bonds (distance) P-C4' energy: -47.730
flat angles C4'-P-C4' energy: -49.719
flat angles P-C4'-P energy: -40.363
tors. eta vs tors. theta energy: -12.410
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 214
Temperature: 1.300000
Total energy: -316.160234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.160234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.160234 (E_RNA)
where:
Base-Base interactions energy: -93.294
where: short stacking energy: -84.054
Base-Backbone interact. energy: -0.821
local terms energy: -222.044751
where:
bonds (distance) C4'-P energy: -67.811
bonds (distance) P-C4' energy: -60.920
flat angles C4'-P-C4' energy: -57.652
flat angles P-C4'-P energy: -36.254
tors. eta vs tors. theta energy: 0.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 214
Temperature: 1.350000
Total energy: -275.713332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.713332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.713332 (E_RNA)
where:
Base-Base interactions energy: -101.993
where: short stacking energy: -72.646
Base-Backbone interact. energy: 0.814
local terms energy: -174.533534
where:
bonds (distance) C4'-P energy: -57.251
bonds (distance) P-C4' energy: -45.393
flat angles C4'-P-C4' energy: -41.728
flat angles P-C4'-P energy: -35.680
tors. eta vs tors. theta energy: 5.519
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: 4
=====================================
Write number: 215
Temperature: 0.900000
Total energy: -1103.599247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1103.599247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1103.599247 (E_RNA)
where:
Base-Base interactions energy: -730.822
where: short stacking energy: -340.461
Base-Backbone interact. energy: -0.737
local terms energy: -372.040238
where:
bonds (distance) C4'-P energy: -62.299
bonds (distance) P-C4' energy: -73.102
flat angles C4'-P-C4' energy: -77.622
flat angles P-C4'-P energy: -49.954
tors. eta vs tors. theta energy: -109.063
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 215
Temperature: 0.950000
Total energy: -1071.538040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1071.538040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1071.538040 (E_RNA)
where:
Base-Base interactions energy: -713.535
where: short stacking energy: -323.778
Base-Backbone interact. energy: 0.395
local terms energy: -358.398037
where:
bonds (distance) C4'-P energy: -62.170
bonds (distance) P-C4' energy: -66.941
flat angles C4'-P-C4' energy: -71.084
flat angles P-C4'-P energy: -47.730
tors. eta vs tors. theta energy: -110.473
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: 5
=====================================
Write number: 215
Temperature: 1.000000
Total energy: -947.662754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -947.662754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -947.662754 (E_RNA)
where:
Base-Base interactions energy: -612.425
where: short stacking energy: -270.079
Base-Backbone interact. energy: -1.972
local terms energy: -333.265469
where:
bonds (distance) C4'-P energy: -60.923
bonds (distance) P-C4' energy: -70.282
flat angles C4'-P-C4' energy: -69.695
flat angles P-C4'-P energy: -45.777
tors. eta vs tors. theta energy: -86.589
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 215
Temperature: 1.050000
Total energy: -845.362577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -845.362577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -845.362577 (E_RNA)
where:
Base-Base interactions energy: -551.363
where: short stacking energy: -271.896
Base-Backbone interact. energy: 6.483
local terms energy: -300.481763
where:
bonds (distance) C4'-P energy: -59.656
bonds (distance) P-C4' energy: -59.713
flat angles C4'-P-C4' energy: -70.262
flat angles P-C4'-P energy: -39.213
tors. eta vs tors. theta energy: -71.638
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: 6
=====================================
Write number: 215
Temperature: 1.100000
Total energy: -571.643890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -571.643890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -571.643890 (E_RNA)
where:
Base-Base interactions energy: -329.923
where: short stacking energy: -151.489
Base-Backbone interact. energy: -0.325
local terms energy: -241.395653
where:
bonds (distance) C4'-P energy: -57.622
bonds (distance) P-C4' energy: -62.937
flat angles C4'-P-C4' energy: -48.825
flat angles P-C4'-P energy: -43.794
tors. eta vs tors. theta energy: -28.218
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: 2
=====================================
Write number: 215
Temperature: 1.150000
Total energy: -578.358384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -578.358384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -578.358384 (E_RNA)
where:
Base-Base interactions energy: -336.965
where: short stacking energy: -170.005
Base-Backbone interact. energy: 1.797
local terms energy: -243.190553
where:
bonds (distance) C4'-P energy: -66.241
bonds (distance) P-C4' energy: -50.007
flat angles C4'-P-C4' energy: -60.358
flat angles P-C4'-P energy: -33.221
tors. eta vs tors. theta energy: -33.363
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: 10
=====================================
Write number: 215
Temperature: 1.200000
Total energy: -361.336953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.336953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.336953 (E_RNA)
where:
Base-Base interactions energy: -156.215
where: short stacking energy: -111.018
Base-Backbone interact. energy: -2.018
local terms energy: -203.103868
where:
bonds (distance) C4'-P energy: -61.977
bonds (distance) P-C4' energy: -55.028
flat angles C4'-P-C4' energy: -52.482
flat angles P-C4'-P energy: -28.768
tors. eta vs tors. theta energy: -4.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 215
Temperature: 1.250000
Total energy: -309.777332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.777332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.777332 (E_RNA)
where:
Base-Base interactions energy: -120.300
where: short stacking energy: -102.262
Base-Backbone interact. energy: -1.244
local terms energy: -188.232568
where:
bonds (distance) C4'-P energy: -61.072
bonds (distance) P-C4' energy: -47.992
flat angles C4'-P-C4' energy: -53.730
flat angles P-C4'-P energy: -27.143
tors. eta vs tors. theta energy: 1.705
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 215
Temperature: 1.300000
Total energy: -291.551549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.551549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.551549 (E_RNA)
where:
Base-Base interactions energy: -93.837
where: short stacking energy: -70.988
Base-Backbone interact. energy: -0.840
local terms energy: -196.874588
where:
bonds (distance) C4'-P energy: -69.603
bonds (distance) P-C4' energy: -52.916
flat angles C4'-P-C4' energy: -51.482
flat angles P-C4'-P energy: -34.784
tors. eta vs tors. theta energy: 11.910
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 215
Temperature: 1.350000
Total energy: -279.387440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.387440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.387440 (E_RNA)
where:
Base-Base interactions energy: -84.391
where: short stacking energy: -65.383
Base-Backbone interact. energy: -1.214
local terms energy: -193.782913
where:
bonds (distance) C4'-P energy: -66.535
bonds (distance) P-C4' energy: -56.959
flat angles C4'-P-C4' energy: -48.612
flat angles P-C4'-P energy: -30.531
tors. eta vs tors. theta energy: 8.854
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: 1
=====================================
Write number: 216
Temperature: 0.900000
Total energy: -1116.801430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1116.801430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1116.801430 (E_RNA)
where:
Base-Base interactions energy: -744.622
where: short stacking energy: -334.496
Base-Backbone interact. energy: -1.986
local terms energy: -370.193541
where:
bonds (distance) C4'-P energy: -71.420
bonds (distance) P-C4' energy: -65.710
flat angles C4'-P-C4' energy: -78.718
flat angles P-C4'-P energy: -48.547
tors. eta vs tors. theta energy: -105.798
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: 4
=====================================
Write number: 216
Temperature: 0.950000
Total energy: -1050.450341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1050.450341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1050.450341 (E_RNA)
where:
Base-Base interactions energy: -699.392
where: short stacking energy: -316.579
Base-Backbone interact. energy: -0.582
local terms energy: -350.476470
where:
bonds (distance) C4'-P energy: -57.306
bonds (distance) P-C4' energy: -58.242
flat angles C4'-P-C4' energy: -80.968
flat angles P-C4'-P energy: -52.681
tors. eta vs tors. theta energy: -101.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 216
Temperature: 1.000000
Total energy: -965.324049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -965.324049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -965.324049 (E_RNA)
where:
Base-Base interactions energy: -625.132
where: short stacking energy: -297.849
Base-Backbone interact. energy: -1.208
local terms energy: -338.984545
where:
bonds (distance) C4'-P energy: -65.275
bonds (distance) P-C4' energy: -63.949
flat angles C4'-P-C4' energy: -64.838
flat angles P-C4'-P energy: -47.524
tors. eta vs tors. theta energy: -97.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 216
Temperature: 1.050000
Total energy: -831.313786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -831.313786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -831.313786 (E_RNA)
where:
Base-Base interactions energy: -525.841
where: short stacking energy: -245.822
Base-Backbone interact. energy: -1.569
local terms energy: -303.903310
where:
bonds (distance) C4'-P energy: -74.979
bonds (distance) P-C4' energy: -69.119
flat angles C4'-P-C4' energy: -61.069
flat angles P-C4'-P energy: -37.326
tors. eta vs tors. theta energy: -61.410
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 216
Temperature: 1.100000
Total energy: -603.098733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -603.098733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -603.098733 (E_RNA)
where:
Base-Base interactions energy: -353.556
where: short stacking energy: -191.720
Base-Backbone interact. energy: -3.013
local terms energy: -246.530510
where:
bonds (distance) C4'-P energy: -72.300
bonds (distance) P-C4' energy: -56.017
flat angles C4'-P-C4' energy: -54.734
flat angles P-C4'-P energy: -32.774
tors. eta vs tors. theta energy: -30.705
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 216
Temperature: 1.150000
Total energy: -571.327858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -571.327858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -571.327858 (E_RNA)
where:
Base-Base interactions energy: -315.118
where: short stacking energy: -147.963
Base-Backbone interact. energy: -0.926
local terms energy: -255.284135
where:
bonds (distance) C4'-P energy: -61.512
bonds (distance) P-C4' energy: -69.109
flat angles C4'-P-C4' energy: -62.650
flat angles P-C4'-P energy: -41.790
tors. eta vs tors. theta energy: -20.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 216
Temperature: 1.200000
Total energy: -336.233628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.233628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.233628 (E_RNA)
where:
Base-Base interactions energy: -120.807
where: short stacking energy: -84.907
Base-Backbone interact. energy: -0.518
local terms energy: -214.908329
where:
bonds (distance) C4'-P energy: -68.408
bonds (distance) P-C4' energy: -61.947
flat angles C4'-P-C4' energy: -50.298
flat angles P-C4'-P energy: -33.308
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: 8, replica: 8
=====================================
Write number: 216
Temperature: 1.250000
Total energy: -331.199730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.199730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.199730 (E_RNA)
where:
Base-Base interactions energy: -132.435
where: short stacking energy: -113.276
Base-Backbone interact. energy: 1.428
local terms energy: -200.192794
where:
bonds (distance) C4'-P energy: -47.478
bonds (distance) P-C4' energy: -50.953
flat angles C4'-P-C4' energy: -52.429
flat angles P-C4'-P energy: -32.035
tors. eta vs tors. theta energy: -17.298
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: 7
=====================================
Write number: 216
Temperature: 1.300000
Total energy: -285.636782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.636782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.636782 (E_RNA)
where:
Base-Base interactions energy: -92.143
where: short stacking energy: -65.683
Base-Backbone interact. energy: 2.815
local terms energy: -196.308483
where:
bonds (distance) C4'-P energy: -50.514
bonds (distance) P-C4' energy: -66.342
flat angles C4'-P-C4' energy: -64.379
flat angles P-C4'-P energy: -36.586
tors. eta vs tors. theta energy: 21.513
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 216
Temperature: 1.350000
Total energy: -262.820365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.820365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.820365 (E_RNA)
where:
Base-Base interactions energy: -105.007
where: short stacking energy: -76.559
Base-Backbone interact. energy: 2.228
local terms energy: -160.041229
where:
bonds (distance) C4'-P energy: -52.561
bonds (distance) P-C4' energy: -52.275
flat angles C4'-P-C4' energy: -41.715
flat angles P-C4'-P energy: -17.375
tors. eta vs tors. theta energy: 3.885
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: 1
=====================================
Write number: 217
Temperature: 0.900000
Total energy: -1101.103796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1101.103796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1101.103796 (E_RNA)
where:
Base-Base interactions energy: -735.147
where: short stacking energy: -328.587
Base-Backbone interact. energy: 1.174
local terms energy: -367.131788
where:
bonds (distance) C4'-P energy: -69.187
bonds (distance) P-C4' energy: -57.450
flat angles C4'-P-C4' energy: -82.085
flat angles P-C4'-P energy: -54.589
tors. eta vs tors. theta energy: -103.820
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 217
Temperature: 0.950000
Total energy: -1036.635056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1036.635056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1036.635056 (E_RNA)
where:
Base-Base interactions energy: -681.531
where: short stacking energy: -328.217
Base-Backbone interact. energy: -0.812
local terms energy: -354.292010
where:
bonds (distance) C4'-P energy: -58.300
bonds (distance) P-C4' energy: -66.540
flat angles C4'-P-C4' energy: -74.629
flat angles P-C4'-P energy: -52.344
tors. eta vs tors. theta energy: -102.478
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: 5
=====================================
Write number: 217
Temperature: 1.000000
Total energy: -941.267420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -941.267420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -941.267420 (E_RNA)
where:
Base-Base interactions energy: -591.381
where: short stacking energy: -286.123
Base-Backbone interact. energy: -2.126
local terms energy: -347.760189
where:
bonds (distance) C4'-P energy: -67.335
bonds (distance) P-C4' energy: -67.180
flat angles C4'-P-C4' energy: -73.278
flat angles P-C4'-P energy: -50.377
tors. eta vs tors. theta energy: -89.590
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 217
Temperature: 1.050000
Total energy: -826.103552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -826.103552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -826.103552 (E_RNA)
where:
Base-Base interactions energy: -507.677
where: short stacking energy: -238.456
Base-Backbone interact. energy: -1.347
local terms energy: -317.080053
where:
bonds (distance) C4'-P energy: -55.666
bonds (distance) P-C4' energy: -74.491
flat angles C4'-P-C4' energy: -61.227
flat angles P-C4'-P energy: -46.791
tors. eta vs tors. theta energy: -78.904
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 217
Temperature: 1.100000
Total energy: -577.937590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -577.937590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -577.937590 (E_RNA)
where:
Base-Base interactions energy: -296.955
where: short stacking energy: -168.311
Base-Backbone interact. energy: -2.080
local terms energy: -278.902788
where:
bonds (distance) C4'-P energy: -64.863
bonds (distance) P-C4' energy: -72.881
flat angles C4'-P-C4' energy: -65.355
flat angles P-C4'-P energy: -41.623
tors. eta vs tors. theta energy: -34.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 217
Temperature: 1.150000
Total energy: -585.155263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -585.155263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -585.155263 (E_RNA)
where:
Base-Base interactions energy: -322.898
where: short stacking energy: -168.552
Base-Backbone interact. energy: -1.729
local terms energy: -260.528211
where:
bonds (distance) C4'-P energy: -60.887
bonds (distance) P-C4' energy: -67.854
flat angles C4'-P-C4' energy: -67.327
flat angles P-C4'-P energy: -35.576
tors. eta vs tors. theta energy: -28.884
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 217
Temperature: 1.200000
Total energy: -364.578934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.578934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.578934 (E_RNA)
where:
Base-Base interactions energy: -153.258
where: short stacking energy: -97.213
Base-Backbone interact. energy: -0.111
local terms energy: -211.209979
where:
bonds (distance) C4'-P energy: -66.467
bonds (distance) P-C4' energy: -72.942
flat angles C4'-P-C4' energy: -48.623
flat angles P-C4'-P energy: -32.701
tors. eta vs tors. theta energy: 9.522
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 217
Temperature: 1.250000
Total energy: -316.924303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.924303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.924303 (E_RNA)
where:
Base-Base interactions energy: -110.726
where: short stacking energy: -79.874
Base-Backbone interact. energy: 2.057
local terms energy: -208.255546
where:
bonds (distance) C4'-P energy: -65.810
bonds (distance) P-C4' energy: -71.999
flat angles C4'-P-C4' energy: -51.192
flat angles P-C4'-P energy: -28.278
tors. eta vs tors. theta energy: 9.023
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 217
Temperature: 1.300000
Total energy: -290.666452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.666452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.666452 (E_RNA)
where:
Base-Base interactions energy: -102.017
where: short stacking energy: -79.074
Base-Backbone interact. energy: -1.543
local terms energy: -187.107168
where:
bonds (distance) C4'-P energy: -48.982
bonds (distance) P-C4' energy: -66.047
flat angles C4'-P-C4' energy: -54.000
flat angles P-C4'-P energy: -22.528
tors. eta vs tors. theta energy: 4.451
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 217
Temperature: 1.350000
Total energy: -271.094541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.094541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.094541 (E_RNA)
where:
Base-Base interactions energy: -88.640
where: short stacking energy: -57.588
Base-Backbone interact. energy: -0.449
local terms energy: -182.005425
where:
bonds (distance) C4'-P energy: -51.031
bonds (distance) P-C4' energy: -64.104
flat angles C4'-P-C4' energy: -53.848
flat angles P-C4'-P energy: -19.438
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: 1, replica: 1
=====================================
Write number: 218
Temperature: 0.900000
Total energy: -1091.090410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1091.090410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1091.090410 (E_RNA)
where:
Base-Base interactions energy: -735.160
where: short stacking energy: -319.300
Base-Backbone interact. energy: -1.322
local terms energy: -354.608411
where:
bonds (distance) C4'-P energy: -62.552
bonds (distance) P-C4' energy: -72.184
flat angles C4'-P-C4' energy: -72.023
flat angles P-C4'-P energy: -42.614
tors. eta vs tors. theta energy: -105.236
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 218
Temperature: 0.950000
Total energy: -1052.785851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1052.785851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1052.785851 (E_RNA)
where:
Base-Base interactions energy: -672.882
where: short stacking energy: -337.116
Base-Backbone interact. energy: -1.921
local terms energy: -377.982319
where:
bonds (distance) C4'-P energy: -68.269
bonds (distance) P-C4' energy: -60.100
flat angles C4'-P-C4' energy: -80.499
flat angles P-C4'-P energy: -54.283
tors. eta vs tors. theta energy: -114.832
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 218
Temperature: 1.000000
Total energy: -949.085350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -949.085350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -949.085350 (E_RNA)
where:
Base-Base interactions energy: -601.175
where: short stacking energy: -286.155
Base-Backbone interact. energy: -0.656
local terms energy: -347.254375
where:
bonds (distance) C4'-P energy: -69.733
bonds (distance) P-C4' energy: -68.532
flat angles C4'-P-C4' energy: -62.996
flat angles P-C4'-P energy: -55.517
tors. eta vs tors. theta energy: -90.476
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 218
Temperature: 1.050000
Total energy: -798.158437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -798.158437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -798.158437 (E_RNA)
where:
Base-Base interactions energy: -496.597
where: short stacking energy: -228.328
Base-Backbone interact. energy: -2.325
local terms energy: -299.235751
where:
bonds (distance) C4'-P energy: -57.698
bonds (distance) P-C4' energy: -67.915
flat angles C4'-P-C4' energy: -69.844
flat angles P-C4'-P energy: -33.302
tors. eta vs tors. theta energy: -70.477
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: 6
=====================================
Write number: 218
Temperature: 1.100000
Total energy: -652.824376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -652.824376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -652.824376 (E_RNA)
where:
Base-Base interactions energy: -371.711
where: short stacking energy: -168.748
Base-Backbone interact. energy: -2.883
local terms energy: -278.230076
where:
bonds (distance) C4'-P energy: -55.023
bonds (distance) P-C4' energy: -71.841
flat angles C4'-P-C4' energy: -67.756
flat angles P-C4'-P energy: -49.397
tors. eta vs tors. theta energy: -34.214
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 218
Temperature: 1.150000
Total energy: -546.437146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.437146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.437146 (E_RNA)
where:
Base-Base interactions energy: -302.930
where: short stacking energy: -155.889
Base-Backbone interact. energy: 1.902
local terms energy: -245.409336
where:
bonds (distance) C4'-P energy: -57.963
bonds (distance) P-C4' energy: -66.900
flat angles C4'-P-C4' energy: -61.258
flat angles P-C4'-P energy: -29.026
tors. eta vs tors. theta energy: -30.263
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 218
Temperature: 1.200000
Total energy: -348.241185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.241185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.241185 (E_RNA)
where:
Base-Base interactions energy: -148.365
where: short stacking energy: -100.245
Base-Backbone interact. energy: -1.762
local terms energy: -198.114354
where:
bonds (distance) C4'-P energy: -60.955
bonds (distance) P-C4' energy: -68.078
flat angles C4'-P-C4' energy: -48.135
flat angles P-C4'-P energy: -23.417
tors. eta vs tors. theta energy: 2.471
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 218
Temperature: 1.250000
Total energy: -309.151742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.151742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.151742 (E_RNA)
where:
Base-Base interactions energy: -106.597
where: short stacking energy: -82.216
Base-Backbone interact. energy: 0.236
local terms energy: -202.790925
where:
bonds (distance) C4'-P energy: -58.695
bonds (distance) P-C4' energy: -57.010
flat angles C4'-P-C4' energy: -54.188
flat angles P-C4'-P energy: -29.791
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: 9, replica: 9
=====================================
Write number: 218
Temperature: 1.300000
Total energy: -301.308796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.308796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.308796 (E_RNA)
where:
Base-Base interactions energy: -107.228
where: short stacking energy: -71.835
Base-Backbone interact. energy: 0.081
local terms energy: -194.161588
where:
bonds (distance) C4'-P energy: -54.497
bonds (distance) P-C4' energy: -60.853
flat angles C4'-P-C4' energy: -59.785
flat angles P-C4'-P energy: -24.035
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: 7
=====================================
Write number: 218
Temperature: 1.350000
Total energy: -276.888990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.888990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.888990 (E_RNA)
where:
Base-Base interactions energy: -80.782
where: short stacking energy: -77.797
Base-Backbone interact. energy: 2.990
local terms energy: -199.097314
where:
bonds (distance) C4'-P energy: -60.294
bonds (distance) P-C4' energy: -67.286
flat angles C4'-P-C4' energy: -40.017
flat angles P-C4'-P energy: -33.029
tors. eta vs tors. theta energy: 1.528
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: 1
=====================================
Write number: 219
Temperature: 0.900000
Total energy: -1089.778550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1089.778550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1089.778550 (E_RNA)
where:
Base-Base interactions energy: -723.726
where: short stacking energy: -310.038
Base-Backbone interact. energy: 1.367
local terms energy: -367.419111
where:
bonds (distance) C4'-P energy: -70.494
bonds (distance) P-C4' energy: -65.817
flat angles C4'-P-C4' energy: -74.607
flat angles P-C4'-P energy: -50.638
tors. eta vs tors. theta energy: -105.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 219
Temperature: 0.950000
Total energy: -1034.008425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1034.008425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1034.008425 (E_RNA)
where:
Base-Base interactions energy: -668.233
where: short stacking energy: -331.043
Base-Backbone interact. energy: -1.206
local terms energy: -364.569966
where:
bonds (distance) C4'-P energy: -64.173
bonds (distance) P-C4' energy: -72.766
flat angles C4'-P-C4' energy: -70.671
flat angles P-C4'-P energy: -45.156
tors. eta vs tors. theta energy: -111.804
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 219
Temperature: 1.000000
Total energy: -937.757092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -937.757092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -937.757092 (E_RNA)
where:
Base-Base interactions energy: -612.549
where: short stacking energy: -290.762
Base-Backbone interact. energy: 1.162
local terms energy: -326.369612
where:
bonds (distance) C4'-P energy: -59.783
bonds (distance) P-C4' energy: -66.357
flat angles C4'-P-C4' energy: -70.739
flat angles P-C4'-P energy: -45.019
tors. eta vs tors. theta energy: -84.471
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 219
Temperature: 1.050000
Total energy: -657.197176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -657.197176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -657.197176 (E_RNA)
where:
Base-Base interactions energy: -381.310
where: short stacking energy: -199.442
Base-Backbone interact. energy: -2.547
local terms energy: -273.340927
where:
bonds (distance) C4'-P energy: -62.729
bonds (distance) P-C4' energy: -70.986
flat angles C4'-P-C4' energy: -62.345
flat angles P-C4'-P energy: -31.729
tors. eta vs tors. theta energy: -45.552
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 219
Temperature: 1.100000
Total energy: -741.323076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -741.323076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -741.323076 (E_RNA)
where:
Base-Base interactions energy: -450.015
where: short stacking energy: -198.908
Base-Backbone interact. energy: -1.757
local terms energy: -289.550803
where:
bonds (distance) C4'-P energy: -51.654
bonds (distance) P-C4' energy: -62.672
flat angles C4'-P-C4' energy: -72.761
flat angles P-C4'-P energy: -47.076
tors. eta vs tors. theta energy: -55.387
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: 2
=====================================
Write number: 219
Temperature: 1.150000
Total energy: -586.377665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -586.377665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -586.377665 (E_RNA)
where:
Base-Base interactions energy: -311.982
where: short stacking energy: -169.218
Base-Backbone interact. energy: -2.948
local terms energy: -271.447903
where:
bonds (distance) C4'-P energy: -68.720
bonds (distance) P-C4' energy: -62.016
flat angles C4'-P-C4' energy: -61.724
flat angles P-C4'-P energy: -42.905
tors. eta vs tors. theta energy: -36.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 219
Temperature: 1.200000
Total energy: -371.196941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.196941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.196941 (E_RNA)
where:
Base-Base interactions energy: -151.581
where: short stacking energy: -135.078
Base-Backbone interact. energy: 0.934
local terms energy: -220.549619
where:
bonds (distance) C4'-P energy: -48.145
bonds (distance) P-C4' energy: -54.653
flat angles C4'-P-C4' energy: -64.764
flat angles P-C4'-P energy: -32.852
tors. eta vs tors. theta energy: -20.135
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: 219
Temperature: 1.250000
Total energy: -314.878361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.878361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.878361 (E_RNA)
where:
Base-Base interactions energy: -103.678
where: short stacking energy: -81.361
Base-Backbone interact. energy: 1.581
local terms energy: -212.781290
where:
bonds (distance) C4'-P energy: -68.084
bonds (distance) P-C4' energy: -57.822
flat angles C4'-P-C4' energy: -61.882
flat angles P-C4'-P energy: -26.717
tors. eta vs tors. theta energy: 1.723
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 219
Temperature: 1.300000
Total energy: -297.868062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.868062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.868062 (E_RNA)
where:
Base-Base interactions energy: -99.173
where: short stacking energy: -86.558
Base-Backbone interact. energy: 1.383
local terms energy: -200.078524
where:
bonds (distance) C4'-P energy: -59.305
bonds (distance) P-C4' energy: -57.906
flat angles C4'-P-C4' energy: -49.345
flat angles P-C4'-P energy: -34.761
tors. eta vs tors. theta energy: 1.238
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: 10, replica: 7
=====================================
Write number: 219
Temperature: 1.350000
Total energy: -276.222555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.222555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.222555 (E_RNA)
where:
Base-Base interactions energy: -91.021
where: short stacking energy: -83.007
Base-Backbone interact. energy: -0.257
local terms energy: -184.944747
where:
bonds (distance) C4'-P energy: -46.472
bonds (distance) P-C4' energy: -64.049
flat angles C4'-P-C4' energy: -51.546
flat angles P-C4'-P energy: -21.419
tors. eta vs tors. theta energy: -1.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 220
Temperature: 0.900000
Total energy: -1073.853933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1073.853933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1073.853933 (E_RNA)
where:
Base-Base interactions energy: -719.062
where: short stacking energy: -317.612
Base-Backbone interact. energy: 0.254
local terms energy: -355.045986
where:
bonds (distance) C4'-P energy: -68.566
bonds (distance) P-C4' energy: -74.202
flat angles C4'-P-C4' energy: -68.012
flat angles P-C4'-P energy: -45.799
tors. eta vs tors. theta energy: -98.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 220
Temperature: 0.950000
Total energy: -1028.356412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1028.356412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1028.356412 (E_RNA)
where:
Base-Base interactions energy: -671.888
where: short stacking energy: -326.553
Base-Backbone interact. energy: -1.577
local terms energy: -354.890896
where:
bonds (distance) C4'-P energy: -57.422
bonds (distance) P-C4' energy: -66.354
flat angles C4'-P-C4' energy: -76.281
flat angles P-C4'-P energy: -53.252
tors. eta vs tors. theta energy: -101.582
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: 5
=====================================
Write number: 220
Temperature: 1.000000
Total energy: -941.610996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -941.610996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -941.610996 (E_RNA)
where:
Base-Base interactions energy: -604.903
where: short stacking energy: -275.640
Base-Backbone interact. energy: -0.388
local terms energy: -336.319568
where:
bonds (distance) C4'-P energy: -66.072
bonds (distance) P-C4' energy: -63.055
flat angles C4'-P-C4' energy: -74.847
flat angles P-C4'-P energy: -45.818
tors. eta vs tors. theta energy: -86.527
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 220
Temperature: 1.050000
Total energy: -678.783105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -678.783105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -678.783105 (E_RNA)
where:
Base-Base interactions energy: -392.678
where: short stacking energy: -222.779
Base-Backbone interact. energy: 2.937
local terms energy: -289.041889
where:
bonds (distance) C4'-P energy: -61.786
bonds (distance) P-C4' energy: -63.804
flat angles C4'-P-C4' energy: -67.605
flat angles P-C4'-P energy: -47.180
tors. eta vs tors. theta energy: -48.666
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 220
Temperature: 1.100000
Total energy: -743.092200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -743.092200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -743.092200 (E_RNA)
where:
Base-Base interactions energy: -441.616
where: short stacking energy: -221.044
Base-Backbone interact. energy: -0.492
local terms energy: -300.984661
where:
bonds (distance) C4'-P energy: -56.092
bonds (distance) P-C4' energy: -68.084
flat angles C4'-P-C4' energy: -74.865
flat angles P-C4'-P energy: -45.318
tors. eta vs tors. theta energy: -56.625
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: 2
=====================================
Write number: 220
Temperature: 1.150000
Total energy: -612.786995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -612.786995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -612.786995 (E_RNA)
where:
Base-Base interactions energy: -367.281
where: short stacking energy: -184.692
Base-Backbone interact. energy: -1.568
local terms energy: -243.938539
where:
bonds (distance) C4'-P energy: -63.455
bonds (distance) P-C4' energy: -58.923
flat angles C4'-P-C4' energy: -52.320
flat angles P-C4'-P energy: -31.882
tors. eta vs tors. theta energy: -37.358
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 220
Temperature: 1.200000
Total energy: -367.653955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.653955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.653955 (E_RNA)
where:
Base-Base interactions energy: -152.137
where: short stacking energy: -90.087
Base-Backbone interact. energy: -0.511
local terms energy: -215.005647
where:
bonds (distance) C4'-P energy: -70.862
bonds (distance) P-C4' energy: -70.352
flat angles C4'-P-C4' energy: -49.791
flat angles P-C4'-P energy: -30.340
tors. eta vs tors. theta energy: 6.340
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: 220
Temperature: 1.250000
Total energy: -312.755184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.755184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.755184 (E_RNA)
where:
Base-Base interactions energy: -118.350
where: short stacking energy: -79.022
Base-Backbone interact. energy: -2.841
local terms energy: -191.563642
where:
bonds (distance) C4'-P energy: -52.220
bonds (distance) P-C4' energy: -64.153
flat angles C4'-P-C4' energy: -49.851
flat angles P-C4'-P energy: -32.724
tors. eta vs tors. theta energy: 7.386
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: 7
=====================================
Write number: 220
Temperature: 1.300000
Total energy: -284.897886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.897886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.897886 (E_RNA)
where:
Base-Base interactions energy: -96.995
where: short stacking energy: -68.750
Base-Backbone interact. energy: 2.034
local terms energy: -189.936154
where:
bonds (distance) C4'-P energy: -58.480
bonds (distance) P-C4' energy: -55.469
flat angles C4'-P-C4' energy: -49.918
flat angles P-C4'-P energy: -32.479
tors. eta vs tors. theta energy: 6.410
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: 10
=====================================
Write number: 220
Temperature: 1.350000
Total energy: -273.767297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.767297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.767297 (E_RNA)
where:
Base-Base interactions energy: -88.000
where: short stacking energy: -57.500
Base-Backbone interact. energy: -2.099
local terms energy: -183.668190
where:
bonds (distance) C4'-P energy: -60.190
bonds (distance) P-C4' energy: -46.811
flat angles C4'-P-C4' energy: -45.244
flat angles P-C4'-P energy: -45.676
tors. eta vs tors. theta energy: 14.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 221
Temperature: 0.900000
Total energy: -1096.339442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1096.339442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1096.339442 (E_RNA)
where:
Base-Base interactions energy: -718.516
where: short stacking energy: -316.872
Base-Backbone interact. energy: -0.531
local terms energy: -377.291655
where:
bonds (distance) C4'-P energy: -69.507
bonds (distance) P-C4' energy: -75.241
flat angles C4'-P-C4' energy: -75.883
flat angles P-C4'-P energy: -54.303
tors. eta vs tors. theta energy: -102.357
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 221
Temperature: 0.950000
Total energy: -1042.665983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1042.665983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1042.665983 (E_RNA)
where:
Base-Base interactions energy: -666.061
where: short stacking energy: -306.988
Base-Backbone interact. energy: 0.918
local terms energy: -377.523022
where:
bonds (distance) C4'-P energy: -68.268
bonds (distance) P-C4' energy: -72.946
flat angles C4'-P-C4' energy: -81.151
flat angles P-C4'-P energy: -44.767
tors. eta vs tors. theta energy: -110.390
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: 5
=====================================
Write number: 221
Temperature: 1.000000
Total energy: -962.325984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -962.325984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -962.325984 (E_RNA)
where:
Base-Base interactions energy: -613.394
where: short stacking energy: -289.028
Base-Backbone interact. energy: 1.760
local terms energy: -350.692575
where:
bonds (distance) C4'-P energy: -67.196
bonds (distance) P-C4' energy: -68.328
flat angles C4'-P-C4' energy: -76.209
flat angles P-C4'-P energy: -51.909
tors. eta vs tors. theta energy: -87.052
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: 3
=====================================
Write number: 221
Temperature: 1.050000
Total energy: -747.368047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -747.368047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -747.368047 (E_RNA)
where:
Base-Base interactions energy: -420.171
where: short stacking energy: -214.247
Base-Backbone interact. energy: -0.816
local terms energy: -326.381254
where:
bonds (distance) C4'-P energy: -64.053
bonds (distance) P-C4' energy: -68.391
flat angles C4'-P-C4' energy: -70.109
flat angles P-C4'-P energy: -59.233
tors. eta vs tors. theta energy: -64.594
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 221
Temperature: 1.100000
Total energy: -619.054610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -619.054610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -619.054610 (E_RNA)
where:
Base-Base interactions energy: -351.641
where: short stacking energy: -142.714
Base-Backbone interact. energy: 0.018
local terms energy: -267.432418
where:
bonds (distance) C4'-P energy: -60.536
bonds (distance) P-C4' energy: -72.060
flat angles C4'-P-C4' energy: -56.403
flat angles P-C4'-P energy: -45.012
tors. eta vs tors. theta energy: -33.421
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: 2
=====================================
Write number: 221
Temperature: 1.150000
Total energy: -542.254738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.254738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.254738 (E_RNA)
where:
Base-Base interactions energy: -320.595
where: short stacking energy: -155.901
Base-Backbone interact. energy: -0.411
local terms energy: -221.248445
where:
bonds (distance) C4'-P energy: -53.850
bonds (distance) P-C4' energy: -55.576
flat angles C4'-P-C4' energy: -53.672
flat angles P-C4'-P energy: -37.947
tors. eta vs tors. theta energy: -20.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 221
Temperature: 1.200000
Total energy: -350.044826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.044826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.044826 (E_RNA)
where:
Base-Base interactions energy: -126.209
where: short stacking energy: -98.595
Base-Backbone interact. energy: -0.450
local terms energy: -223.385275
where:
bonds (distance) C4'-P energy: -68.415
bonds (distance) P-C4' energy: -63.882
flat angles C4'-P-C4' energy: -56.016
flat angles P-C4'-P energy: -34.757
tors. eta vs tors. theta energy: -0.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 221
Temperature: 1.250000
Total energy: -309.355004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.355004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.355004 (E_RNA)
where:
Base-Base interactions energy: -114.520
where: short stacking energy: -95.217
Base-Backbone interact. energy: -1.811
local terms energy: -193.024394
where:
bonds (distance) C4'-P energy: -53.391
bonds (distance) P-C4' energy: -53.104
flat angles C4'-P-C4' energy: -58.565
flat angles P-C4'-P energy: -32.997
tors. eta vs tors. theta energy: 5.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 221
Temperature: 1.300000
Total energy: -302.952246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.952246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.952246 (E_RNA)
where:
Base-Base interactions energy: -107.211
where: short stacking energy: -56.734
Base-Backbone interact. energy: -3.355
local terms energy: -192.385943
where:
bonds (distance) C4'-P energy: -72.652
bonds (distance) P-C4' energy: -60.790
flat angles C4'-P-C4' energy: -50.229
flat angles P-C4'-P energy: -30.769
tors. eta vs tors. theta energy: 22.053
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: 10
=====================================
Write number: 221
Temperature: 1.350000
Total energy: -274.522645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.522645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.522645 (E_RNA)
where:
Base-Base interactions energy: -97.502
where: short stacking energy: -89.300
Base-Backbone interact. energy: 6.422
local terms energy: -183.443314
where:
bonds (distance) C4'-P energy: -43.379
bonds (distance) P-C4' energy: -50.301
flat angles C4'-P-C4' energy: -57.834
flat angles P-C4'-P energy: -37.033
tors. eta vs tors. theta energy: 5.103
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 222
Temperature: 0.900000
Total energy: -1084.433136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1084.433136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1084.433136 (E_RNA)
where:
Base-Base interactions energy: -711.885
where: short stacking energy: -304.644
Base-Backbone interact. energy: -0.677
local terms energy: -371.871219
where:
bonds (distance) C4'-P energy: -68.764
bonds (distance) P-C4' energy: -73.908
flat angles C4'-P-C4' energy: -75.700
flat angles P-C4'-P energy: -49.173
tors. eta vs tors. theta energy: -104.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 222
Temperature: 0.950000
Total energy: -1002.836381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1002.836381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1002.836381 (E_RNA)
where:
Base-Base interactions energy: -652.361
where: short stacking energy: -289.794
Base-Backbone interact. energy: -2.676
local terms energy: -347.799663
where:
bonds (distance) C4'-P energy: -64.230
bonds (distance) P-C4' energy: -73.822
flat angles C4'-P-C4' energy: -75.182
flat angles P-C4'-P energy: -43.117
tors. eta vs tors. theta energy: -91.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 222
Temperature: 1.000000
Total energy: -945.372463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -945.372463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -945.372463 (E_RNA)
where:
Base-Base interactions energy: -591.736
where: short stacking energy: -289.997
Base-Backbone interact. energy: -1.080
local terms energy: -352.556236
where:
bonds (distance) C4'-P energy: -68.530
bonds (distance) P-C4' energy: -63.715
flat angles C4'-P-C4' energy: -73.464
flat angles P-C4'-P energy: -51.788
tors. eta vs tors. theta energy: -95.059
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: 3
=====================================
Write number: 222
Temperature: 1.050000
Total energy: -790.114532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -790.114532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -790.114532 (E_RNA)
where:
Base-Base interactions energy: -487.432
where: short stacking energy: -213.774
Base-Backbone interact. energy: -1.543
local terms energy: -301.139945
where:
bonds (distance) C4'-P energy: -66.507
bonds (distance) P-C4' energy: -61.632
flat angles C4'-P-C4' energy: -64.159
flat angles P-C4'-P energy: -44.076
tors. eta vs tors. theta energy: -64.766
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: 6
=====================================
Write number: 222
Temperature: 1.100000
Total energy: -625.055901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -625.055901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -625.055901 (E_RNA)
where:
Base-Base interactions energy: -371.975
where: short stacking energy: -178.253
Base-Backbone interact. energy: -0.672
local terms energy: -252.408067
where:
bonds (distance) C4'-P energy: -55.593
bonds (distance) P-C4' energy: -68.649
flat angles C4'-P-C4' energy: -67.466
flat angles P-C4'-P energy: -31.225
tors. eta vs tors. theta energy: -29.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 222
Temperature: 1.150000
Total energy: -547.253379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.253379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.253379 (E_RNA)
where:
Base-Base interactions energy: -284.902
where: short stacking energy: -146.397
Base-Backbone interact. energy: -0.276
local terms energy: -262.075982
where:
bonds (distance) C4'-P energy: -67.312
bonds (distance) P-C4' energy: -70.839
flat angles C4'-P-C4' energy: -67.320
flat angles P-C4'-P energy: -28.606
tors. eta vs tors. theta energy: -27.999
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: 8
=====================================
Write number: 222
Temperature: 1.200000
Total energy: -341.398690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.398690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.398690 (E_RNA)
where:
Base-Base interactions energy: -137.105
where: short stacking energy: -107.506
Base-Backbone interact. energy: -1.332
local terms energy: -202.961649
where:
bonds (distance) C4'-P energy: -54.145
bonds (distance) P-C4' energy: -68.995
flat angles C4'-P-C4' energy: -48.466
flat angles P-C4'-P energy: -36.390
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: 8, replica: 7
=====================================
Write number: 222
Temperature: 1.250000
Total energy: -318.144496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.144496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.144496 (E_RNA)
where:
Base-Base interactions energy: -101.265
where: short stacking energy: -66.244
Base-Backbone interact. energy: -1.550
local terms energy: -215.329382
where:
bonds (distance) C4'-P energy: -63.118
bonds (distance) P-C4' energy: -66.513
flat angles C4'-P-C4' energy: -55.519
flat angles P-C4'-P energy: -38.714
tors. eta vs tors. theta energy: 8.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 222
Temperature: 1.300000
Total energy: -275.819339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.819339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.819339 (E_RNA)
where:
Base-Base interactions energy: -74.049
where: short stacking energy: -58.519
Base-Backbone interact. energy: -0.019
local terms energy: -201.751650
where:
bonds (distance) C4'-P energy: -59.892
bonds (distance) P-C4' energy: -61.647
flat angles C4'-P-C4' energy: -47.408
flat angles P-C4'-P energy: -44.090
tors. eta vs tors. theta energy: 11.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 222
Temperature: 1.350000
Total energy: -267.537888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.537888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.537888 (E_RNA)
where:
Base-Base interactions energy: -82.624
where: short stacking energy: -66.951
Base-Backbone interact. energy: -2.334
local terms energy: -182.580070
where:
bonds (distance) C4'-P energy: -65.072
bonds (distance) P-C4' energy: -66.265
flat angles C4'-P-C4' energy: -44.621
flat angles P-C4'-P energy: -20.325
tors. eta vs tors. theta energy: 13.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 223
Temperature: 0.900000
Total energy: -1085.207260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1085.207260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1085.207260 (E_RNA)
where:
Base-Base interactions energy: -698.272
where: short stacking energy: -328.143
Base-Backbone interact. energy: 0.497
local terms energy: -387.431849
where:
bonds (distance) C4'-P energy: -72.977
bonds (distance) P-C4' energy: -78.188
flat angles C4'-P-C4' energy: -74.714
flat angles P-C4'-P energy: -47.704
tors. eta vs tors. theta energy: -113.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 223
Temperature: 0.950000
Total energy: -967.698068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -967.698068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -967.698068 (E_RNA)
where:
Base-Base interactions energy: -621.235
where: short stacking energy: -290.965
Base-Backbone interact. energy: -1.338
local terms energy: -345.124525
where:
bonds (distance) C4'-P energy: -63.345
bonds (distance) P-C4' energy: -74.785
flat angles C4'-P-C4' energy: -70.061
flat angles P-C4'-P energy: -54.758
tors. eta vs tors. theta energy: -82.176
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 223
Temperature: 1.000000
Total energy: -1009.746115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1009.746115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1009.746115 (E_RNA)
where:
Base-Base interactions energy: -650.797
where: short stacking energy: -298.043
Base-Backbone interact. energy: -0.859
local terms energy: -358.090047
where:
bonds (distance) C4'-P energy: -70.057
bonds (distance) P-C4' energy: -81.384
flat angles C4'-P-C4' energy: -74.582
flat angles P-C4'-P energy: -48.575
tors. eta vs tors. theta energy: -83.492
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: 223
Temperature: 1.050000
Total energy: -792.670326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -792.670326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -792.670326 (E_RNA)
where:
Base-Base interactions energy: -493.636
where: short stacking energy: -214.125
Base-Backbone interact. energy: -2.140
local terms energy: -296.894549
where:
bonds (distance) C4'-P energy: -62.615
bonds (distance) P-C4' energy: -69.376
flat angles C4'-P-C4' energy: -72.554
flat angles P-C4'-P energy: -32.899
tors. eta vs tors. theta energy: -59.450
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: 5, replica: 6
=====================================
Write number: 223
Temperature: 1.100000
Total energy: -634.929542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -634.929542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -634.929542 (E_RNA)
where:
Base-Base interactions energy: -395.375
where: short stacking energy: -183.517
Base-Backbone interact. energy: -1.104
local terms energy: -238.449733
where:
bonds (distance) C4'-P energy: -51.982
bonds (distance) P-C4' energy: -49.645
flat angles C4'-P-C4' energy: -58.297
flat angles P-C4'-P energy: -41.833
tors. eta vs tors. theta energy: -36.693
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: 6, replica: 2
=====================================
Write number: 223
Temperature: 1.150000
Total energy: -547.061507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.061507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.061507 (E_RNA)
where:
Base-Base interactions energy: -306.313
where: short stacking energy: -169.672
Base-Backbone interact. energy: -1.958
local terms energy: -238.790318
where:
bonds (distance) C4'-P energy: -63.159
bonds (distance) P-C4' energy: -64.256
flat angles C4'-P-C4' energy: -47.306
flat angles P-C4'-P energy: -35.467
tors. eta vs tors. theta energy: -28.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 223
Temperature: 1.200000
Total energy: -349.128875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.128875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.128875 (E_RNA)
where:
Base-Base interactions energy: -151.721
where: short stacking energy: -116.048
Base-Backbone interact. energy: 0.073
local terms energy: -197.480732
where:
bonds (distance) C4'-P energy: -51.658
bonds (distance) P-C4' energy: -51.372
flat angles C4'-P-C4' energy: -60.232
flat angles P-C4'-P energy: -32.973
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: 8, replica: 7
=====================================
Write number: 223
Temperature: 1.250000
Total energy: -309.343585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.343585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.343585 (E_RNA)
where:
Base-Base interactions energy: -93.169
where: short stacking energy: -75.001
Base-Backbone interact. energy: 0.972
local terms energy: -217.147432
where:
bonds (distance) C4'-P energy: -63.408
bonds (distance) P-C4' energy: -72.509
flat angles C4'-P-C4' energy: -51.418
flat angles P-C4'-P energy: -36.947
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: 9, replica: 9
=====================================
Write number: 223
Temperature: 1.300000
Total energy: -300.735404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.735404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.735404 (E_RNA)
where:
Base-Base interactions energy: -136.060
where: short stacking energy: -79.159
Base-Backbone interact. energy: -1.062
local terms energy: -163.613694
where:
bonds (distance) C4'-P energy: -41.179
bonds (distance) P-C4' energy: -57.532
flat angles C4'-P-C4' energy: -48.958
flat angles P-C4'-P energy: -16.376
tors. eta vs tors. theta energy: 0.432
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: 10, replica: 10
=====================================
Write number: 223
Temperature: 1.350000
Total energy: -302.692881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.692881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.692881 (E_RNA)
where:
Base-Base interactions energy: -98.987
where: short stacking energy: -76.565
Base-Backbone interact. energy: -3.312
local terms energy: -200.393589
where:
bonds (distance) C4'-P energy: -63.165
bonds (distance) P-C4' energy: -67.022
flat angles C4'-P-C4' energy: -56.578
flat angles P-C4'-P energy: -26.952
tors. eta vs tors. theta energy: 13.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 224
Temperature: 0.900000
Total energy: -1068.938366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1068.938366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1068.938366 (E_RNA)
where:
Base-Base interactions energy: -713.802
where: short stacking energy: -326.809
Base-Backbone interact. energy: -0.855
local terms energy: -354.281422
where:
bonds (distance) C4'-P energy: -59.426
bonds (distance) P-C4' energy: -71.103
flat angles C4'-P-C4' energy: -70.614
flat angles P-C4'-P energy: -43.721
tors. eta vs tors. theta energy: -109.417
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: 5
=====================================
Write number: 224
Temperature: 0.950000
Total energy: -972.437903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -972.437903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -972.437903 (E_RNA)
where:
Base-Base interactions energy: -619.759
where: short stacking energy: -309.842
Base-Backbone interact. energy: -1.215
local terms energy: -351.464334
where:
bonds (distance) C4'-P energy: -62.936
bonds (distance) P-C4' energy: -70.204
flat angles C4'-P-C4' energy: -74.190
flat angles P-C4'-P energy: -47.288
tors. eta vs tors. theta energy: -96.845
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 224
Temperature: 1.000000
Total energy: -986.289358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -986.289358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -986.289358 (E_RNA)
where:
Base-Base interactions energy: -644.963
where: short stacking energy: -303.829
Base-Backbone interact. energy: -0.296
local terms energy: -341.030085
where:
bonds (distance) C4'-P energy: -64.098
bonds (distance) P-C4' energy: -63.411
flat angles C4'-P-C4' energy: -63.387
flat angles P-C4'-P energy: -57.500
tors. eta vs tors. theta energy: -92.634
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 224
Temperature: 1.050000
Total energy: -796.986615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -796.986615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -796.986615 (E_RNA)
where:
Base-Base interactions energy: -505.997
where: short stacking energy: -216.577
Base-Backbone interact. energy: -0.901
local terms energy: -290.088782
where:
bonds (distance) C4'-P energy: -56.773
bonds (distance) P-C4' energy: -64.077
flat angles C4'-P-C4' energy: -79.290
flat angles P-C4'-P energy: -34.109
tors. eta vs tors. theta energy: -55.839
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: 6
=====================================
Write number: 224
Temperature: 1.100000
Total energy: -625.196405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -625.196405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -625.196405 (E_RNA)
where:
Base-Base interactions energy: -371.723
where: short stacking energy: -194.766
Base-Backbone interact. energy: -1.277
local terms energy: -252.196661
where:
bonds (distance) C4'-P energy: -62.704
bonds (distance) P-C4' energy: -60.039
flat angles C4'-P-C4' energy: -56.019
flat angles P-C4'-P energy: -36.172
tors. eta vs tors. theta energy: -37.263
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: 2
=====================================
Write number: 224
Temperature: 1.150000
Total energy: -566.865726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -566.865726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -566.865726 (E_RNA)
where:
Base-Base interactions energy: -318.291
where: short stacking energy: -173.778
Base-Backbone interact. energy: -0.538
local terms energy: -248.036854
where:
bonds (distance) C4'-P energy: -61.817
bonds (distance) P-C4' energy: -50.065
flat angles C4'-P-C4' energy: -60.951
flat angles P-C4'-P energy: -37.157
tors. eta vs tors. theta energy: -38.046
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: 224
Temperature: 1.200000
Total energy: -345.078909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.078909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.078909 (E_RNA)
where:
Base-Base interactions energy: -127.046
where: short stacking energy: -105.877
Base-Backbone interact. energy: -0.157
local terms energy: -217.876555
where:
bonds (distance) C4'-P energy: -65.315
bonds (distance) P-C4' energy: -64.721
flat angles C4'-P-C4' energy: -55.258
flat angles P-C4'-P energy: -31.116
tors. eta vs tors. theta energy: -1.465
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: 7
=====================================
Write number: 224
Temperature: 1.250000
Total energy: -329.647318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.647318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.647318 (E_RNA)
where:
Base-Base interactions energy: -118.180
where: short stacking energy: -88.910
Base-Backbone interact. energy: 0.447
local terms energy: -211.914235
where:
bonds (distance) C4'-P energy: -52.854
bonds (distance) P-C4' energy: -58.748
flat angles C4'-P-C4' energy: -63.323
flat angles P-C4'-P energy: -39.807
tors. eta vs tors. theta energy: 2.817
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 224
Temperature: 1.300000
Total energy: -285.695677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.695677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.695677 (E_RNA)
where:
Base-Base interactions energy: -105.866
where: short stacking energy: -96.673
Base-Backbone interact. energy: 2.870
local terms energy: -182.699594
where:
bonds (distance) C4'-P energy: -56.181
bonds (distance) P-C4' energy: -56.427
flat angles C4'-P-C4' energy: -43.788
flat angles P-C4'-P energy: -27.197
tors. eta vs tors. theta energy: 0.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 224
Temperature: 1.350000
Total energy: -292.322484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.322484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.322484 (E_RNA)
where:
Base-Base interactions energy: -107.945
where: short stacking energy: -81.285
Base-Backbone interact. energy: 6.646
local terms energy: -191.023167
where:
bonds (distance) C4'-P energy: -57.096
bonds (distance) P-C4' energy: -67.971
flat angles C4'-P-C4' energy: -52.048
flat angles P-C4'-P energy: -17.076
tors. eta vs tors. theta energy: 3.168
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: 1
=====================================
Write number: 225
Temperature: 0.900000
Total energy: -1063.284526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1063.284526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1063.284526 (E_RNA)
where:
Base-Base interactions energy: -687.505
where: short stacking energy: -304.846
Base-Backbone interact. energy: 1.746
local terms energy: -377.525433
where:
bonds (distance) C4'-P energy: -72.393
bonds (distance) P-C4' energy: -68.177
flat angles C4'-P-C4' energy: -70.475
flat angles P-C4'-P energy: -57.883
tors. eta vs tors. theta energy: -108.599
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: 2, replica: 4
=====================================
Write number: 225
Temperature: 0.950000
Total energy: -1012.121894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1012.121894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1012.121894 (E_RNA)
where:
Base-Base interactions energy: -665.130
where: short stacking energy: -326.448
Base-Backbone interact. energy: -0.523
local terms energy: -346.469387
where:
bonds (distance) C4'-P energy: -57.444
bonds (distance) P-C4' energy: -64.810
flat angles C4'-P-C4' energy: -76.095
flat angles P-C4'-P energy: -40.196
tors. eta vs tors. theta energy: -107.924
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 225
Temperature: 1.000000
Total energy: -947.945814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -947.945814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -947.945814 (E_RNA)
where:
Base-Base interactions energy: -605.122
where: short stacking energy: -293.647
Base-Backbone interact. energy: -0.911
local terms energy: -341.912676
where:
bonds (distance) C4'-P energy: -69.399
bonds (distance) P-C4' energy: -59.992
flat angles C4'-P-C4' energy: -70.075
flat angles P-C4'-P energy: -50.902
tors. eta vs tors. theta energy: -91.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 225
Temperature: 1.050000
Total energy: -851.978959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -851.978959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -851.978959 (E_RNA)
where:
Base-Base interactions energy: -530.227
where: short stacking energy: -246.456
Base-Backbone interact. energy: 0.727
local terms energy: -322.478761
where:
bonds (distance) C4'-P energy: -67.711
bonds (distance) P-C4' energy: -63.695
flat angles C4'-P-C4' energy: -70.736
flat angles P-C4'-P energy: -47.644
tors. eta vs tors. theta energy: -72.692
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 225
Temperature: 1.100000
Total energy: -667.025030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -667.025030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -667.025030 (E_RNA)
where:
Base-Base interactions energy: -398.275
where: short stacking energy: -181.811
Base-Backbone interact. energy: -1.486
local terms energy: -267.264106
where:
bonds (distance) C4'-P energy: -71.924
bonds (distance) P-C4' energy: -67.921
flat angles C4'-P-C4' energy: -51.905
flat angles P-C4'-P energy: -42.808
tors. eta vs tors. theta energy: -32.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 225
Temperature: 1.150000
Total energy: -568.819698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -568.819698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -568.819698 (E_RNA)
where:
Base-Base interactions energy: -317.451
where: short stacking energy: -168.596
Base-Backbone interact. energy: -1.659
local terms energy: -249.710233
where:
bonds (distance) C4'-P energy: -70.826
bonds (distance) P-C4' energy: -67.422
flat angles C4'-P-C4' energy: -52.266
flat angles P-C4'-P energy: -33.556
tors. eta vs tors. theta energy: -25.641
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 225
Temperature: 1.200000
Total energy: -345.200898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.200898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.200898 (E_RNA)
where:
Base-Base interactions energy: -146.185
where: short stacking energy: -109.024
Base-Backbone interact. energy: 0.133
local terms energy: -199.149352
where:
bonds (distance) C4'-P energy: -57.209
bonds (distance) P-C4' energy: -61.725
flat angles C4'-P-C4' energy: -48.279
flat angles P-C4'-P energy: -25.922
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: 8, replica: 10
=====================================
Write number: 225
Temperature: 1.250000
Total energy: -328.339169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.339169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.339169 (E_RNA)
where:
Base-Base interactions energy: -128.097
where: short stacking energy: -81.330
Base-Backbone interact. energy: -0.264
local terms energy: -199.978428
where:
bonds (distance) C4'-P energy: -56.029
bonds (distance) P-C4' energy: -61.888
flat angles C4'-P-C4' energy: -52.986
flat angles P-C4'-P energy: -34.293
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: 225
Temperature: 1.300000
Total energy: -286.067986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.067986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.067986 (E_RNA)
where:
Base-Base interactions energy: -103.091
where: short stacking energy: -90.627
Base-Backbone interact. energy: -1.109
local terms energy: -181.868006
where:
bonds (distance) C4'-P energy: -46.368
bonds (distance) P-C4' energy: -66.388
flat angles C4'-P-C4' energy: -45.844
flat angles P-C4'-P energy: -37.796
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: 10, replica: 9
=====================================
Write number: 225
Temperature: 1.350000
Total energy: -267.462449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.462449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.462449 (E_RNA)
where:
Base-Base interactions energy: -90.999
where: short stacking energy: -75.472
Base-Backbone interact. energy: -0.064
local terms energy: -176.398692
where:
bonds (distance) C4'-P energy: -58.186
bonds (distance) P-C4' energy: -52.088
flat angles C4'-P-C4' energy: -37.535
flat angles P-C4'-P energy: -39.891
tors. eta vs tors. theta energy: 11.301
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 226
Temperature: 0.900000
Total energy: -1056.319999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1056.319999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1056.319999 (E_RNA)
where:
Base-Base interactions energy: -682.803
where: short stacking energy: -305.592
Base-Backbone interact. energy: 0.641
local terms energy: -374.157815
where:
bonds (distance) C4'-P energy: -78.813
bonds (distance) P-C4' energy: -70.548
flat angles C4'-P-C4' energy: -70.144
flat angles P-C4'-P energy: -51.764
tors. eta vs tors. theta energy: -102.889
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 226
Temperature: 0.950000
Total energy: -1036.029421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1036.029421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1036.029421 (E_RNA)
where:
Base-Base interactions energy: -662.454
where: short stacking energy: -289.404
Base-Backbone interact. energy: 1.177
local terms energy: -374.752354
where:
bonds (distance) C4'-P energy: -67.386
bonds (distance) P-C4' energy: -83.846
flat angles C4'-P-C4' energy: -72.375
flat angles P-C4'-P energy: -57.268
tors. eta vs tors. theta energy: -93.878
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 226
Temperature: 1.000000
Total energy: -904.908051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -904.908051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -904.908051 (E_RNA)
where:
Base-Base interactions energy: -580.218
where: short stacking energy: -264.808
Base-Backbone interact. energy: -0.497
local terms energy: -324.193350
where:
bonds (distance) C4'-P energy: -72.823
bonds (distance) P-C4' energy: -63.946
flat angles C4'-P-C4' energy: -68.762
flat angles P-C4'-P energy: -37.146
tors. eta vs tors. theta energy: -81.517
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: 3
=====================================
Write number: 226
Temperature: 1.050000
Total energy: -822.460393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -822.460393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -822.460393 (E_RNA)
where:
Base-Base interactions energy: -496.857
where: short stacking energy: -247.935
Base-Backbone interact. energy: 0.807
local terms energy: -326.410557
where:
bonds (distance) C4'-P energy: -64.484
bonds (distance) P-C4' energy: -68.212
flat angles C4'-P-C4' energy: -64.692
flat angles P-C4'-P energy: -44.030
tors. eta vs tors. theta energy: -84.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 226
Temperature: 1.100000
Total energy: -645.563009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -645.563009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -645.563009 (E_RNA)
where:
Base-Base interactions energy: -389.265
where: short stacking energy: -174.924
Base-Backbone interact. energy: 0.240
local terms energy: -256.537998
where:
bonds (distance) C4'-P energy: -60.368
bonds (distance) P-C4' energy: -60.849
flat angles C4'-P-C4' energy: -63.050
flat angles P-C4'-P energy: -36.047
tors. eta vs tors. theta energy: -36.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 226
Temperature: 1.150000
Total energy: -547.707957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.707957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.707957 (E_RNA)
where:
Base-Base interactions energy: -288.917
where: short stacking energy: -125.290
Base-Backbone interact. energy: 2.097
local terms energy: -260.887047
where:
bonds (distance) C4'-P energy: -62.031
bonds (distance) P-C4' energy: -66.909
flat angles C4'-P-C4' energy: -73.165
flat angles P-C4'-P energy: -40.025
tors. eta vs tors. theta energy: -18.757
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: 8
=====================================
Write number: 226
Temperature: 1.200000
Total energy: -366.785981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.785981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.785981 (E_RNA)
where:
Base-Base interactions energy: -155.724
where: short stacking energy: -103.635
Base-Backbone interact. energy: -0.663
local terms energy: -210.398405
where:
bonds (distance) C4'-P energy: -70.074
bonds (distance) P-C4' energy: -49.883
flat angles C4'-P-C4' energy: -51.044
flat angles P-C4'-P energy: -36.465
tors. eta vs tors. theta energy: -2.931
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: 8, replica: 10
=====================================
Write number: 226
Temperature: 1.250000
Total energy: -302.755141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.755141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.755141 (E_RNA)
where:
Base-Base interactions energy: -100.045
where: short stacking energy: -75.969
Base-Backbone interact. energy: -2.458
local terms energy: -200.251632
where:
bonds (distance) C4'-P energy: -65.294
bonds (distance) P-C4' energy: -58.654
flat angles C4'-P-C4' energy: -50.659
flat angles P-C4'-P energy: -25.008
tors. eta vs tors. theta energy: -0.637
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 226
Temperature: 1.300000
Total energy: -284.432498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.432498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.432498 (E_RNA)
where:
Base-Base interactions energy: -90.184
where: short stacking energy: -54.698
Base-Backbone interact. energy: 3.003
local terms energy: -197.251723
where:
bonds (distance) C4'-P energy: -49.092
bonds (distance) P-C4' energy: -60.613
flat angles C4'-P-C4' energy: -61.089
flat angles P-C4'-P energy: -36.049
tors. eta vs tors. theta energy: 9.591
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: 10, replica: 9
=====================================
Write number: 226
Temperature: 1.350000
Total energy: -271.880375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.880375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.880375 (E_RNA)
where:
Base-Base interactions energy: -65.387
where: short stacking energy: -54.889
Base-Backbone interact. energy: -2.659
local terms energy: -203.834871
where:
bonds (distance) C4'-P energy: -74.331
bonds (distance) P-C4' energy: -62.996
flat angles C4'-P-C4' energy: -53.893
flat angles P-C4'-P energy: -25.708
tors. eta vs tors. theta energy: 13.094
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: 1
=====================================
Write number: 227
Temperature: 0.900000
Total energy: -1095.289452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1095.289452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1095.289452 (E_RNA)
where:
Base-Base interactions energy: -723.735
where: short stacking energy: -328.386
Base-Backbone interact. energy: -2.076
local terms energy: -369.478504
where:
bonds (distance) C4'-P energy: -70.351
bonds (distance) P-C4' energy: -61.455
flat angles C4'-P-C4' energy: -77.679
flat angles P-C4'-P energy: -53.583
tors. eta vs tors. theta energy: -106.412
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: 4
=====================================
Write number: 227
Temperature: 0.950000
Total energy: -1030.646190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1030.646190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1030.646190 (E_RNA)
where:
Base-Base interactions energy: -669.952
where: short stacking energy: -311.852
Base-Backbone interact. energy: -1.604
local terms energy: -359.090453
where:
bonds (distance) C4'-P energy: -60.173
bonds (distance) P-C4' energy: -66.276
flat angles C4'-P-C4' energy: -75.078
flat angles P-C4'-P energy: -49.082
tors. eta vs tors. theta energy: -108.482
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 227
Temperature: 1.000000
Total energy: -956.307123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -956.307123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -956.307123 (E_RNA)
where:
Base-Base interactions energy: -617.005
where: short stacking energy: -298.646
Base-Backbone interact. energy: -0.829
local terms energy: -338.473093
where:
bonds (distance) C4'-P energy: -53.371
bonds (distance) P-C4' energy: -58.879
flat angles C4'-P-C4' energy: -77.250
flat angles P-C4'-P energy: -49.172
tors. eta vs tors. theta energy: -99.802
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 227
Temperature: 1.050000
Total energy: -793.962612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -793.962612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -793.962612 (E_RNA)
where:
Base-Base interactions energy: -500.788
where: short stacking energy: -231.014
Base-Backbone interact. energy: -3.937
local terms energy: -289.237990
where:
bonds (distance) C4'-P energy: -54.129
bonds (distance) P-C4' energy: -67.949
flat angles C4'-P-C4' energy: -68.563
flat angles P-C4'-P energy: -39.909
tors. eta vs tors. theta energy: -58.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 227
Temperature: 1.100000
Total energy: -643.322371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -643.322371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -643.322371 (E_RNA)
where:
Base-Base interactions energy: -386.387
where: short stacking energy: -187.365
Base-Backbone interact. energy: -0.983
local terms energy: -255.951987
where:
bonds (distance) C4'-P energy: -66.293
bonds (distance) P-C4' energy: -54.980
flat angles C4'-P-C4' energy: -52.983
flat angles P-C4'-P energy: -30.925
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: 6, replica: 2
=====================================
Write number: 227
Temperature: 1.150000
Total energy: -583.977411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -583.977411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -583.977411 (E_RNA)
where:
Base-Base interactions energy: -327.914
where: short stacking energy: -159.206
Base-Backbone interact. energy: -0.794
local terms energy: -255.270017
where:
bonds (distance) C4'-P energy: -56.145
bonds (distance) P-C4' energy: -67.384
flat angles C4'-P-C4' energy: -68.983
flat angles P-C4'-P energy: -34.967
tors. eta vs tors. theta energy: -27.791
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 227
Temperature: 1.200000
Total energy: -353.473446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.473446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.473446 (E_RNA)
where:
Base-Base interactions energy: -120.770
where: short stacking energy: -98.475
Base-Backbone interact. energy: -1.371
local terms energy: -231.333008
where:
bonds (distance) C4'-P energy: -64.264
bonds (distance) P-C4' energy: -65.815
flat angles C4'-P-C4' energy: -56.165
flat angles P-C4'-P energy: -37.803
tors. eta vs tors. theta energy: -7.286
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: 10
=====================================
Write number: 227
Temperature: 1.250000
Total energy: -312.288236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.288236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.288236 (E_RNA)
where:
Base-Base interactions energy: -91.781
where: short stacking energy: -79.050
Base-Backbone interact. energy: -3.026
local terms energy: -217.481485
where:
bonds (distance) C4'-P energy: -62.924
bonds (distance) P-C4' energy: -60.659
flat angles C4'-P-C4' energy: -47.794
flat angles P-C4'-P energy: -43.798
tors. eta vs tors. theta energy: -2.306
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: 227
Temperature: 1.300000
Total energy: -294.483937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.483937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.483937 (E_RNA)
where:
Base-Base interactions energy: -108.387
where: short stacking energy: -82.395
Base-Backbone interact. energy: 0.365
local terms energy: -186.461580
where:
bonds (distance) C4'-P energy: -64.499
bonds (distance) P-C4' energy: -57.508
flat angles C4'-P-C4' energy: -40.412
flat angles P-C4'-P energy: -31.243
tors. eta vs tors. theta energy: 7.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 227
Temperature: 1.350000
Total energy: -290.137106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.137106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.137106 (E_RNA)
where:
Base-Base interactions energy: -98.218
where: short stacking energy: -65.940
Base-Backbone interact. energy: -1.210
local terms energy: -190.709621
where:
bonds (distance) C4'-P energy: -59.900
bonds (distance) P-C4' energy: -73.915
flat angles C4'-P-C4' energy: -47.838
flat angles P-C4'-P energy: -21.026
tors. eta vs tors. theta energy: 11.970
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: 1
=====================================
Write number: 228
Temperature: 0.900000
Total energy: -1082.034291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1082.034291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1082.034291 (E_RNA)
where:
Base-Base interactions energy: -719.405
where: short stacking energy: -321.698
Base-Backbone interact. energy: -1.884
local terms energy: -360.745532
where:
bonds (distance) C4'-P energy: -71.230
bonds (distance) P-C4' energy: -66.177
flat angles C4'-P-C4' energy: -75.248
flat angles P-C4'-P energy: -45.227
tors. eta vs tors. theta energy: -102.865
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 228
Temperature: 0.950000
Total energy: -1022.024049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1022.024049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1022.024049 (E_RNA)
where:
Base-Base interactions energy: -682.787
where: short stacking energy: -313.178
Base-Backbone interact. energy: 0.887
local terms energy: -340.124615
where:
bonds (distance) C4'-P energy: -51.025
bonds (distance) P-C4' energy: -63.830
flat angles C4'-P-C4' energy: -69.724
flat angles P-C4'-P energy: -56.207
tors. eta vs tors. theta energy: -99.339
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: 5
=====================================
Write number: 228
Temperature: 1.000000
Total energy: -929.797992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -929.797992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -929.797992 (E_RNA)
where:
Base-Base interactions energy: -588.938
where: short stacking energy: -295.045
Base-Backbone interact. energy: -1.841
local terms energy: -339.018424
where:
bonds (distance) C4'-P energy: -67.193
bonds (distance) P-C4' energy: -63.912
flat angles C4'-P-C4' energy: -73.629
flat angles P-C4'-P energy: -42.050
tors. eta vs tors. theta energy: -92.233
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 228
Temperature: 1.050000
Total energy: -804.530355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -804.530355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -804.530355 (E_RNA)
where:
Base-Base interactions energy: -492.639
where: short stacking energy: -227.548
Base-Backbone interact. energy: -1.752
local terms energy: -310.139473
where:
bonds (distance) C4'-P energy: -59.178
bonds (distance) P-C4' energy: -76.922
flat angles C4'-P-C4' energy: -62.440
flat angles P-C4'-P energy: -43.153
tors. eta vs tors. theta energy: -68.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 228
Temperature: 1.100000
Total energy: -662.980680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -662.980680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -662.980680 (E_RNA)
where:
Base-Base interactions energy: -402.491
where: short stacking energy: -179.898
Base-Backbone interact. energy: -0.626
local terms energy: -259.863015
where:
bonds (distance) C4'-P energy: -52.284
bonds (distance) P-C4' energy: -63.121
flat angles C4'-P-C4' energy: -70.837
flat angles P-C4'-P energy: -29.054
tors. eta vs tors. theta energy: -44.567
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 228
Temperature: 1.150000
Total energy: -582.127335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -582.127335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -582.127335 (E_RNA)
where:
Base-Base interactions energy: -325.417
where: short stacking energy: -165.371
Base-Backbone interact. energy: -0.695
local terms energy: -256.014553
where:
bonds (distance) C4'-P energy: -65.871
bonds (distance) P-C4' energy: -60.892
flat angles C4'-P-C4' energy: -60.435
flat angles P-C4'-P energy: -30.844
tors. eta vs tors. theta energy: -37.973
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: 10
=====================================
Write number: 228
Temperature: 1.200000
Total energy: -368.136880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.136880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.136880 (E_RNA)
where:
Base-Base interactions energy: -130.842
where: short stacking energy: -108.391
Base-Backbone interact. energy: -0.718
local terms energy: -236.576703
where:
bonds (distance) C4'-P energy: -66.483
bonds (distance) P-C4' energy: -60.363
flat angles C4'-P-C4' energy: -59.117
flat angles P-C4'-P energy: -32.253
tors. eta vs tors. theta energy: -18.362
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 228
Temperature: 1.250000
Total energy: -331.316628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.316628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.316628 (E_RNA)
where:
Base-Base interactions energy: -123.749
where: short stacking energy: -106.665
Base-Backbone interact. energy: -1.555
local terms energy: -206.012716
where:
bonds (distance) C4'-P energy: -58.376
bonds (distance) P-C4' energy: -60.953
flat angles C4'-P-C4' energy: -44.683
flat angles P-C4'-P energy: -34.511
tors. eta vs tors. theta energy: -7.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 228
Temperature: 1.300000
Total energy: -289.103835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.103835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.103835 (E_RNA)
where:
Base-Base interactions energy: -108.455
where: short stacking energy: -78.789
Base-Backbone interact. energy: 3.400
local terms energy: -184.049191
where:
bonds (distance) C4'-P energy: -58.280
bonds (distance) P-C4' energy: -58.926
flat angles C4'-P-C4' energy: -45.697
flat angles P-C4'-P energy: -28.560
tors. eta vs tors. theta energy: 7.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 228
Temperature: 1.350000
Total energy: -289.442057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.442057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.442057 (E_RNA)
where:
Base-Base interactions energy: -99.658
where: short stacking energy: -65.291
Base-Backbone interact. energy: 8.952
local terms energy: -198.735745
where:
bonds (distance) C4'-P energy: -61.531
bonds (distance) P-C4' energy: -59.275
flat angles C4'-P-C4' energy: -51.151
flat angles P-C4'-P energy: -24.953
tors. eta vs tors. theta energy: -1.827
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: 1
=====================================
Write number: 229
Temperature: 0.900000
Total energy: -1107.398080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1107.398080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1107.398080 (E_RNA)
where:
Base-Base interactions energy: -734.565
where: short stacking energy: -336.876
Base-Backbone interact. energy: -3.458
local terms energy: -369.375063
where:
bonds (distance) C4'-P energy: -62.584
bonds (distance) P-C4' energy: -70.050
flat angles C4'-P-C4' energy: -84.652
flat angles P-C4'-P energy: -47.063
tors. eta vs tors. theta energy: -105.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 229
Temperature: 0.950000
Total energy: -1022.128394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1022.128394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1022.128394 (E_RNA)
where:
Base-Base interactions energy: -656.716
where: short stacking energy: -316.180
Base-Backbone interact. energy: -0.854
local terms energy: -364.558749
where:
bonds (distance) C4'-P energy: -69.661
bonds (distance) P-C4' energy: -67.012
flat angles C4'-P-C4' energy: -77.689
flat angles P-C4'-P energy: -47.550
tors. eta vs tors. theta energy: -102.646
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: 5
=====================================
Write number: 229
Temperature: 1.000000
Total energy: -938.676100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -938.676100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -938.676100 (E_RNA)
where:
Base-Base interactions energy: -616.953
where: short stacking energy: -291.246
Base-Backbone interact. energy: -1.464
local terms energy: -320.258524
where:
bonds (distance) C4'-P energy: -60.648
bonds (distance) P-C4' energy: -47.849
flat angles C4'-P-C4' energy: -73.868
flat angles P-C4'-P energy: -43.518
tors. eta vs tors. theta energy: -94.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 229
Temperature: 1.050000
Total energy: -831.492572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -831.492572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -831.492572 (E_RNA)
where:
Base-Base interactions energy: -537.869
where: short stacking energy: -256.390
Base-Backbone interact. energy: -1.637
local terms energy: -291.986151
where:
bonds (distance) C4'-P energy: -55.951
bonds (distance) P-C4' energy: -62.759
flat angles C4'-P-C4' energy: -57.310
flat angles P-C4'-P energy: -47.176
tors. eta vs tors. theta energy: -68.791
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 229
Temperature: 1.100000
Total energy: -686.540431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -686.540431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -686.540431 (E_RNA)
where:
Base-Base interactions energy: -409.490
where: short stacking energy: -203.850
Base-Backbone interact. energy: -0.699
local terms energy: -276.352091
where:
bonds (distance) C4'-P energy: -64.056
bonds (distance) P-C4' energy: -56.336
flat angles C4'-P-C4' energy: -61.577
flat angles P-C4'-P energy: -41.551
tors. eta vs tors. theta energy: -52.833
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 229
Temperature: 1.150000
Total energy: -622.456486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -622.456486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -622.456486 (E_RNA)
where:
Base-Base interactions energy: -366.866
where: short stacking energy: -172.313
Base-Backbone interact. energy: -0.521
local terms energy: -255.069590
where:
bonds (distance) C4'-P energy: -52.067
bonds (distance) P-C4' energy: -65.055
flat angles C4'-P-C4' energy: -56.359
flat angles P-C4'-P energy: -42.932
tors. eta vs tors. theta energy: -38.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 229
Temperature: 1.200000
Total energy: -340.639077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.639077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.639077 (E_RNA)
where:
Base-Base interactions energy: -110.574
where: short stacking energy: -88.812
Base-Backbone interact. energy: -1.151
local terms energy: -228.914400
where:
bonds (distance) C4'-P energy: -56.794
bonds (distance) P-C4' energy: -63.407
flat angles C4'-P-C4' energy: -61.428
flat angles P-C4'-P energy: -41.615
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: 8, replica: 8
=====================================
Write number: 229
Temperature: 1.250000
Total energy: -313.011936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.011936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.011936 (E_RNA)
where:
Base-Base interactions energy: -93.882
where: short stacking energy: -76.732
Base-Backbone interact. energy: -0.144
local terms energy: -218.986903
where:
bonds (distance) C4'-P energy: -63.295
bonds (distance) P-C4' energy: -64.096
flat angles C4'-P-C4' energy: -49.049
flat angles P-C4'-P energy: -41.528
tors. eta vs tors. theta energy: -1.019
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 229
Temperature: 1.300000
Total energy: -298.528578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.528578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.528578 (E_RNA)
where:
Base-Base interactions energy: -93.542
where: short stacking energy: -79.872
Base-Backbone interact. energy: 3.190
local terms energy: -208.176722
where:
bonds (distance) C4'-P energy: -61.535
bonds (distance) P-C4' energy: -64.296
flat angles C4'-P-C4' energy: -52.827
flat angles P-C4'-P energy: -39.940
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: 7
=====================================
Write number: 229
Temperature: 1.350000
Total energy: -269.358379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.358379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.358379 (E_RNA)
where:
Base-Base interactions energy: -91.275
where: short stacking energy: -70.828
Base-Backbone interact. energy: -0.755
local terms energy: -177.329111
where:
bonds (distance) C4'-P energy: -60.081
bonds (distance) P-C4' energy: -58.976
flat angles C4'-P-C4' energy: -54.645
flat angles P-C4'-P energy: -18.295
tors. eta vs tors. theta energy: 14.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 230
Temperature: 0.900000
Total energy: -1084.834120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1084.834120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1084.834120 (E_RNA)
where:
Base-Base interactions energy: -718.915
where: short stacking energy: -307.705
Base-Backbone interact. energy: -1.158
local terms energy: -364.761084
where:
bonds (distance) C4'-P energy: -65.948
bonds (distance) P-C4' energy: -65.824
flat angles C4'-P-C4' energy: -76.181
flat angles P-C4'-P energy: -54.008
tors. eta vs tors. theta energy: -102.801
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 230
Temperature: 0.950000
Total energy: -1027.065938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1027.065938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1027.065938 (E_RNA)
where:
Base-Base interactions energy: -673.576
where: short stacking energy: -324.527
Base-Backbone interact. energy: 0.303
local terms energy: -353.793550
where:
bonds (distance) C4'-P energy: -72.792
bonds (distance) P-C4' energy: -58.291
flat angles C4'-P-C4' energy: -70.370
flat angles P-C4'-P energy: -53.455
tors. eta vs tors. theta energy: -98.885
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 230
Temperature: 1.000000
Total energy: -924.840888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -924.840888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -924.840888 (E_RNA)
where:
Base-Base interactions energy: -591.533
where: short stacking energy: -292.690
Base-Backbone interact. energy: -2.398
local terms energy: -330.910517
where:
bonds (distance) C4'-P energy: -60.680
bonds (distance) P-C4' energy: -68.978
flat angles C4'-P-C4' energy: -70.760
flat angles P-C4'-P energy: -37.382
tors. eta vs tors. theta energy: -93.110
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: 3
=====================================
Write number: 230
Temperature: 1.050000
Total energy: -829.529400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -829.529400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -829.529400 (E_RNA)
where:
Base-Base interactions energy: -521.157
where: short stacking energy: -255.163
Base-Backbone interact. energy: -2.572
local terms energy: -305.801008
where:
bonds (distance) C4'-P energy: -59.366
bonds (distance) P-C4' energy: -63.650
flat angles C4'-P-C4' energy: -70.780
flat angles P-C4'-P energy: -35.426
tors. eta vs tors. theta energy: -76.580
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: 2
=====================================
Write number: 230
Temperature: 1.100000
Total energy: -655.334761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -655.334761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -655.334761 (E_RNA)
where:
Base-Base interactions energy: -359.906
where: short stacking energy: -192.418
Base-Backbone interact. energy: 0.814
local terms energy: -296.242879
where:
bonds (distance) C4'-P energy: -64.515
bonds (distance) P-C4' energy: -75.350
flat angles C4'-P-C4' energy: -72.224
flat angles P-C4'-P energy: -42.565
tors. eta vs tors. theta energy: -41.589
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: 6, replica: 6
=====================================
Write number: 230
Temperature: 1.150000
Total energy: -630.310553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -630.310553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -630.310553 (E_RNA)
where:
Base-Base interactions energy: -359.383
where: short stacking energy: -182.649
Base-Backbone interact. energy: -1.004
local terms energy: -269.924176
where:
bonds (distance) C4'-P energy: -70.181
bonds (distance) P-C4' energy: -70.115
flat angles C4'-P-C4' energy: -63.984
flat angles P-C4'-P energy: -35.752
tors. eta vs tors. theta energy: -29.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 230
Temperature: 1.200000
Total energy: -331.234332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.234332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.234332 (E_RNA)
where:
Base-Base interactions energy: -105.562
where: short stacking energy: -94.581
Base-Backbone interact. energy: 2.479
local terms energy: -228.150922
where:
bonds (distance) C4'-P energy: -77.506
bonds (distance) P-C4' energy: -66.965
flat angles C4'-P-C4' energy: -56.510
flat angles P-C4'-P energy: -18.186
tors. eta vs tors. theta energy: -8.984
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 230
Temperature: 1.250000
Total energy: -300.523137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.523137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.523137 (E_RNA)
where:
Base-Base interactions energy: -90.507
where: short stacking energy: -62.879
Base-Backbone interact. energy: -1.271
local terms energy: -208.744865
where:
bonds (distance) C4'-P energy: -56.872
bonds (distance) P-C4' energy: -78.282
flat angles C4'-P-C4' energy: -53.999
flat angles P-C4'-P energy: -37.242
tors. eta vs tors. theta energy: 17.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 230
Temperature: 1.300000
Total energy: -292.532262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.532262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.532262 (E_RNA)
where:
Base-Base interactions energy: -114.425
where: short stacking energy: -90.255
Base-Backbone interact. energy: -0.973
local terms energy: -177.133732
where:
bonds (distance) C4'-P energy: -61.577
bonds (distance) P-C4' energy: -57.434
flat angles C4'-P-C4' energy: -51.754
flat angles P-C4'-P energy: -20.081
tors. eta vs tors. theta energy: 13.712
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 230
Temperature: 1.350000
Total energy: -264.265973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.265973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.265973 (E_RNA)
where:
Base-Base interactions energy: -93.524
where: short stacking energy: -80.473
Base-Backbone interact. energy: -0.219
local terms energy: -170.523140
where:
bonds (distance) C4'-P energy: -55.254
bonds (distance) P-C4' energy: -57.689
flat angles C4'-P-C4' energy: -33.231
flat angles P-C4'-P energy: -25.545
tors. eta vs tors. theta energy: 1.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 231
Temperature: 0.900000
Total energy: -1081.804653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1081.804653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1081.804653 (E_RNA)
where:
Base-Base interactions energy: -725.860
where: short stacking energy: -337.514
Base-Backbone interact. energy: 0.335
local terms energy: -356.279224
where:
bonds (distance) C4'-P energy: -62.112
bonds (distance) P-C4' energy: -65.543
flat angles C4'-P-C4' energy: -71.380
flat angles P-C4'-P energy: -50.512
tors. eta vs tors. theta energy: -106.733
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 231
Temperature: 0.950000
Total energy: -1042.754719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1042.754719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1042.754719 (E_RNA)
where:
Base-Base interactions energy: -678.508
where: short stacking energy: -334.493
Base-Backbone interact. energy: -0.098
local terms energy: -364.149099
where:
bonds (distance) C4'-P energy: -71.399
bonds (distance) P-C4' energy: -63.069
flat angles C4'-P-C4' energy: -73.193
flat angles P-C4'-P energy: -55.296
tors. eta vs tors. theta energy: -101.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 231
Temperature: 1.000000
Total energy: -954.713131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -954.713131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -954.713131 (E_RNA)
where:
Base-Base interactions energy: -594.256
where: short stacking energy: -298.506
Base-Backbone interact. energy: 1.486
local terms energy: -361.942915
where:
bonds (distance) C4'-P energy: -73.297
bonds (distance) P-C4' energy: -65.532
flat angles C4'-P-C4' energy: -74.240
flat angles P-C4'-P energy: -50.120
tors. eta vs tors. theta energy: -98.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 231
Temperature: 1.050000
Total energy: -793.919584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -793.919584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -793.919584 (E_RNA)
where:
Base-Base interactions energy: -503.299
where: short stacking energy: -230.179
Base-Backbone interact. energy: -1.799
local terms energy: -288.821220
where:
bonds (distance) C4'-P energy: -63.096
bonds (distance) P-C4' energy: -68.850
flat angles C4'-P-C4' energy: -59.595
flat angles P-C4'-P energy: -42.708
tors. eta vs tors. theta energy: -54.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 231
Temperature: 1.100000
Total energy: -638.972050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -638.972050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -638.972050 (E_RNA)
where:
Base-Base interactions energy: -364.088
where: short stacking energy: -180.368
Base-Backbone interact. energy: -1.442
local terms energy: -273.441958
where:
bonds (distance) C4'-P energy: -59.597
bonds (distance) P-C4' energy: -73.741
flat angles C4'-P-C4' energy: -59.764
flat angles P-C4'-P energy: -42.419
tors. eta vs tors. theta energy: -37.920
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: 6
=====================================
Write number: 231
Temperature: 1.150000
Total energy: -551.070788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.070788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.070788 (E_RNA)
where:
Base-Base interactions energy: -293.421
where: short stacking energy: -148.314
Base-Backbone interact. energy: -1.291
local terms energy: -256.358743
where:
bonds (distance) C4'-P energy: -75.384
bonds (distance) P-C4' energy: -55.383
flat angles C4'-P-C4' energy: -57.671
flat angles P-C4'-P energy: -41.238
tors. eta vs tors. theta energy: -26.683
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: 231
Temperature: 1.200000
Total energy: -339.904212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.904212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.904212 (E_RNA)
where:
Base-Base interactions energy: -118.786
where: short stacking energy: -107.474
Base-Backbone interact. energy: 2.440
local terms energy: -223.557553
where:
bonds (distance) C4'-P energy: -64.876
bonds (distance) P-C4' energy: -62.878
flat angles C4'-P-C4' energy: -54.452
flat angles P-C4'-P energy: -34.365
tors. eta vs tors. theta energy: -6.987
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 231
Temperature: 1.250000
Total energy: -309.425013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.425013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.425013 (E_RNA)
where:
Base-Base interactions energy: -91.296
where: short stacking energy: -82.922
Base-Backbone interact. energy: -3.580
local terms energy: -214.549894
where:
bonds (distance) C4'-P energy: -63.411
bonds (distance) P-C4' energy: -55.851
flat angles C4'-P-C4' energy: -51.234
flat angles P-C4'-P energy: -39.361
tors. eta vs tors. theta energy: -4.691
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 231
Temperature: 1.300000
Total energy: -285.691088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.691088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.691088 (E_RNA)
where:
Base-Base interactions energy: -91.595
where: short stacking energy: -69.344
Base-Backbone interact. energy: -0.107
local terms energy: -193.989503
where:
bonds (distance) C4'-P energy: -54.220
bonds (distance) P-C4' energy: -58.967
flat angles C4'-P-C4' energy: -52.908
flat angles P-C4'-P energy: -34.801
tors. eta vs tors. theta energy: 6.907
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: 9
=====================================
Write number: 231
Temperature: 1.350000
Total energy: -285.393671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.393671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.393671 (E_RNA)
where:
Base-Base interactions energy: -92.990
where: short stacking energy: -83.075
Base-Backbone interact. energy: -2.816
local terms energy: -189.587545
where:
bonds (distance) C4'-P energy: -44.431
bonds (distance) P-C4' energy: -56.486
flat angles C4'-P-C4' energy: -60.213
flat angles P-C4'-P energy: -29.034
tors. eta vs tors. theta energy: 0.576
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 232
Temperature: 0.900000
Total energy: -1047.087574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1047.087574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1047.087574 (E_RNA)
where:
Base-Base interactions energy: -679.923
where: short stacking energy: -312.572
Base-Backbone interact. energy: -0.820
local terms energy: -366.344701
where:
bonds (distance) C4'-P energy: -71.816
bonds (distance) P-C4' energy: -69.092
flat angles C4'-P-C4' energy: -73.690
flat angles P-C4'-P energy: -52.625
tors. eta vs tors. theta energy: -99.122
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: 4
=====================================
Write number: 232
Temperature: 0.950000
Total energy: -1005.585058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1005.585058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1005.585058 (E_RNA)
where:
Base-Base interactions energy: -640.952
where: short stacking energy: -281.365
Base-Backbone interact. energy: -0.416
local terms energy: -364.217146
where:
bonds (distance) C4'-P energy: -65.832
bonds (distance) P-C4' energy: -70.155
flat angles C4'-P-C4' energy: -72.303
flat angles P-C4'-P energy: -58.931
tors. eta vs tors. theta energy: -96.996
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 232
Temperature: 1.000000
Total energy: -945.520095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -945.520095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -945.520095 (E_RNA)
where:
Base-Base interactions energy: -597.103
where: short stacking energy: -266.891
Base-Backbone interact. energy: 0.552
local terms energy: -348.969037
where:
bonds (distance) C4'-P energy: -62.552
bonds (distance) P-C4' energy: -70.605
flat angles C4'-P-C4' energy: -68.119
flat angles P-C4'-P energy: -48.743
tors. eta vs tors. theta energy: -98.949
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 232
Temperature: 1.050000
Total energy: -813.865670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -813.865670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -813.865670 (E_RNA)
where:
Base-Base interactions energy: -522.637
where: short stacking energy: -226.938
Base-Backbone interact. energy: -1.494
local terms energy: -289.734817
where:
bonds (distance) C4'-P energy: -56.007
bonds (distance) P-C4' energy: -61.585
flat angles C4'-P-C4' energy: -64.169
flat angles P-C4'-P energy: -37.694
tors. eta vs tors. theta energy: -70.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 232
Temperature: 1.100000
Total energy: -623.421416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -623.421416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -623.421416 (E_RNA)
where:
Base-Base interactions energy: -359.252
where: short stacking energy: -177.356
Base-Backbone interact. energy: -1.071
local terms energy: -263.098834
where:
bonds (distance) C4'-P energy: -64.527
bonds (distance) P-C4' energy: -61.547
flat angles C4'-P-C4' energy: -69.737
flat angles P-C4'-P energy: -31.139
tors. eta vs tors. theta energy: -36.150
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: 6, replica: 6
=====================================
Write number: 232
Temperature: 1.150000
Total energy: -549.855915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.855915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.855915 (E_RNA)
where:
Base-Base interactions energy: -287.825
where: short stacking energy: -174.949
Base-Backbone interact. energy: -1.435
local terms energy: -260.596685
where:
bonds (distance) C4'-P energy: -50.936
bonds (distance) P-C4' energy: -67.345
flat angles C4'-P-C4' energy: -64.325
flat angles P-C4'-P energy: -42.572
tors. eta vs tors. theta energy: -35.418
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: 8
=====================================
Write number: 232
Temperature: 1.200000
Total energy: -356.874774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.874774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.874774 (E_RNA)
where:
Base-Base interactions energy: -156.224
where: short stacking energy: -120.494
Base-Backbone interact. energy: -1.339
local terms energy: -199.311575
where:
bonds (distance) C4'-P energy: -59.864
bonds (distance) P-C4' energy: -51.873
flat angles C4'-P-C4' energy: -53.368
flat angles P-C4'-P energy: -25.653
tors. eta vs tors. theta energy: -8.555
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: 7
=====================================
Write number: 232
Temperature: 1.250000
Total energy: -351.540438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.540438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.540438 (E_RNA)
where:
Base-Base interactions energy: -125.183
where: short stacking energy: -91.060
Base-Backbone interact. energy: 0.357
local terms energy: -226.714501
where:
bonds (distance) C4'-P energy: -67.423
bonds (distance) P-C4' energy: -69.444
flat angles C4'-P-C4' energy: -55.180
flat angles P-C4'-P energy: -37.826
tors. eta vs tors. theta energy: 3.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 232
Temperature: 1.300000
Total energy: -300.821183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.821183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.821183 (E_RNA)
where:
Base-Base interactions energy: -108.792
where: short stacking energy: -75.286
Base-Backbone interact. energy: -1.233
local terms energy: -190.796891
where:
bonds (distance) C4'-P energy: -59.145
bonds (distance) P-C4' energy: -70.368
flat angles C4'-P-C4' energy: -50.776
flat angles P-C4'-P energy: -26.619
tors. eta vs tors. theta energy: 16.110
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: 9
=====================================
Write number: 232
Temperature: 1.350000
Total energy: -269.315176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.315176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.315176 (E_RNA)
where:
Base-Base interactions energy: -78.231
where: short stacking energy: -69.252
Base-Backbone interact. energy: -0.859
local terms energy: -190.225759
where:
bonds (distance) C4'-P energy: -63.514
bonds (distance) P-C4' energy: -66.812
flat angles C4'-P-C4' energy: -49.414
flat angles P-C4'-P energy: -34.724
tors. eta vs tors. theta energy: 24.238
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 233
Temperature: 0.900000
Total energy: -1078.120718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1078.120718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1078.120718 (E_RNA)
where:
Base-Base interactions energy: -715.411
where: short stacking energy: -314.586
Base-Backbone interact. energy: 0.396
local terms energy: -363.105981
where:
bonds (distance) C4'-P energy: -70.974
bonds (distance) P-C4' energy: -76.202
flat angles C4'-P-C4' energy: -68.552
flat angles P-C4'-P energy: -47.857
tors. eta vs tors. theta energy: -99.520
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 233
Temperature: 0.950000
Total energy: -1002.591476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1002.591476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1002.591476 (E_RNA)
where:
Base-Base interactions energy: -645.273
where: short stacking energy: -309.060
Base-Backbone interact. energy: 1.753
local terms energy: -359.070737
where:
bonds (distance) C4'-P energy: -67.059
bonds (distance) P-C4' energy: -65.878
flat angles C4'-P-C4' energy: -79.350
flat angles P-C4'-P energy: -56.689
tors. eta vs tors. theta energy: -90.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 233
Temperature: 1.000000
Total energy: -958.692131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -958.692131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -958.692131 (E_RNA)
where:
Base-Base interactions energy: -611.197
where: short stacking energy: -292.246
Base-Backbone interact. energy: -2.443
local terms energy: -345.052300
where:
bonds (distance) C4'-P energy: -62.571
bonds (distance) P-C4' energy: -73.478
flat angles C4'-P-C4' energy: -65.562
flat angles P-C4'-P energy: -51.172
tors. eta vs tors. theta energy: -92.269
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: 4, replica: 3
=====================================
Write number: 233
Temperature: 1.050000
Total energy: -815.728353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -815.728353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -815.728353 (E_RNA)
where:
Base-Base interactions energy: -492.331
where: short stacking energy: -231.528
Base-Backbone interact. energy: -0.773
local terms energy: -322.624321
where:
bonds (distance) C4'-P energy: -55.216
bonds (distance) P-C4' energy: -73.309
flat angles C4'-P-C4' energy: -72.564
flat angles P-C4'-P energy: -50.168
tors. eta vs tors. theta energy: -71.367
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: 2
=====================================
Write number: 233
Temperature: 1.100000
Total energy: -617.713605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -617.713605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -617.713605 (E_RNA)
where:
Base-Base interactions energy: -335.204
where: short stacking energy: -182.536
Base-Backbone interact. energy: -0.941
local terms energy: -281.568647
where:
bonds (distance) C4'-P energy: -49.665
bonds (distance) P-C4' energy: -78.992
flat angles C4'-P-C4' energy: -67.124
flat angles P-C4'-P energy: -47.039
tors. eta vs tors. theta energy: -38.748
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 233
Temperature: 1.150000
Total energy: -593.680119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -593.680119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -593.680119 (E_RNA)
where:
Base-Base interactions energy: -327.696
where: short stacking energy: -161.610
Base-Backbone interact. energy: -1.666
local terms energy: -264.317796
where:
bonds (distance) C4'-P energy: -54.996
bonds (distance) P-C4' energy: -69.188
flat angles C4'-P-C4' energy: -61.226
flat angles P-C4'-P energy: -49.397
tors. eta vs tors. theta energy: -29.512
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 233
Temperature: 1.200000
Total energy: -331.444733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.444733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.444733 (E_RNA)
where:
Base-Base interactions energy: -123.979
where: short stacking energy: -89.509
Base-Backbone interact. energy: -0.824
local terms energy: -206.641419
where:
bonds (distance) C4'-P energy: -54.515
bonds (distance) P-C4' energy: -72.120
flat angles C4'-P-C4' energy: -55.711
flat angles P-C4'-P energy: -24.519
tors. eta vs tors. theta energy: 0.223
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 233
Temperature: 1.250000
Total energy: -313.298237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.298237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.298237 (E_RNA)
where:
Base-Base interactions energy: -117.317
where: short stacking energy: -97.372
Base-Backbone interact. energy: -0.591
local terms energy: -195.390322
where:
bonds (distance) C4'-P energy: -60.392
bonds (distance) P-C4' energy: -50.705
flat angles C4'-P-C4' energy: -54.116
flat angles P-C4'-P energy: -23.602
tors. eta vs tors. theta energy: -6.575
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 233
Temperature: 1.300000
Total energy: -296.220837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.220837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.220837 (E_RNA)
where:
Base-Base interactions energy: -90.834
where: short stacking energy: -77.123
Base-Backbone interact. energy: -3.595
local terms energy: -201.791783
where:
bonds (distance) C4'-P energy: -61.641
bonds (distance) P-C4' energy: -67.440
flat angles C4'-P-C4' energy: -45.425
flat angles P-C4'-P energy: -31.939
tors. eta vs tors. theta energy: 4.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 233
Temperature: 1.350000
Total energy: -259.413329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.413329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.413329 (E_RNA)
where:
Base-Base interactions energy: -76.086
where: short stacking energy: -71.780
Base-Backbone interact. energy: -0.886
local terms energy: -182.441973
where:
bonds (distance) C4'-P energy: -51.156
bonds (distance) P-C4' energy: -68.628
flat angles C4'-P-C4' energy: -46.962
flat angles P-C4'-P energy: -31.508
tors. eta vs tors. theta energy: 15.812
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 234
Temperature: 0.900000
Total energy: -1073.330395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1073.330395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1073.330395 (E_RNA)
where:
Base-Base interactions energy: -709.569
where: short stacking energy: -330.747
Base-Backbone interact. energy: -2.188
local terms energy: -361.574108
where:
bonds (distance) C4'-P energy: -72.726
bonds (distance) P-C4' energy: -66.864
flat angles C4'-P-C4' energy: -75.541
flat angles P-C4'-P energy: -43.879
tors. eta vs tors. theta energy: -102.564
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: 4
=====================================
Write number: 234
Temperature: 0.950000
Total energy: -1021.170286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1021.170286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1021.170286 (E_RNA)
where:
Base-Base interactions energy: -662.190
where: short stacking energy: -305.751
Base-Backbone interact. energy: 0.049
local terms energy: -359.029774
where:
bonds (distance) C4'-P energy: -65.642
bonds (distance) P-C4' energy: -68.890
flat angles C4'-P-C4' energy: -76.448
flat angles P-C4'-P energy: -47.596
tors. eta vs tors. theta energy: -100.455
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: 3, replica: 5
=====================================
Write number: 234
Temperature: 1.000000
Total energy: -967.592296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -967.592296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -967.592296 (E_RNA)
where:
Base-Base interactions energy: -618.113
where: short stacking energy: -287.042
Base-Backbone interact. energy: -1.681
local terms energy: -347.798048
where:
bonds (distance) C4'-P energy: -71.021
bonds (distance) P-C4' energy: -68.568
flat angles C4'-P-C4' energy: -69.612
flat angles P-C4'-P energy: -51.396
tors. eta vs tors. theta energy: -87.200
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: 234
Temperature: 1.050000
Total energy: -842.652172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -842.652172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -842.652172 (E_RNA)
where:
Base-Base interactions energy: -550.523
where: short stacking energy: -232.065
Base-Backbone interact. energy: -2.404
local terms energy: -289.724782
where:
bonds (distance) C4'-P energy: -62.820
bonds (distance) P-C4' energy: -56.468
flat angles C4'-P-C4' energy: -64.959
flat angles P-C4'-P energy: -35.895
tors. eta vs tors. theta energy: -69.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 234
Temperature: 1.100000
Total energy: -645.196769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -645.196769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -645.196769 (E_RNA)
where:
Base-Base interactions energy: -360.746
where: short stacking energy: -189.320
Base-Backbone interact. energy: 2.805
local terms energy: -287.255756
where:
bonds (distance) C4'-P energy: -61.562
bonds (distance) P-C4' energy: -67.739
flat angles C4'-P-C4' energy: -63.948
flat angles P-C4'-P energy: -48.158
tors. eta vs tors. theta energy: -45.849
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: 6, replica: 6
=====================================
Write number: 234
Temperature: 1.150000
Total energy: -539.011710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.011710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.011710 (E_RNA)
where:
Base-Base interactions energy: -295.037
where: short stacking energy: -159.969
Base-Backbone interact. energy: -1.577
local terms energy: -242.397447
where:
bonds (distance) C4'-P energy: -64.921
bonds (distance) P-C4' energy: -53.497
flat angles C4'-P-C4' energy: -59.265
flat angles P-C4'-P energy: -36.306
tors. eta vs tors. theta energy: -28.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 234
Temperature: 1.200000
Total energy: -342.259566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.259566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.259566 (E_RNA)
where:
Base-Base interactions energy: -106.901
where: short stacking energy: -100.686
Base-Backbone interact. energy: -0.699
local terms energy: -234.659963
where:
bonds (distance) C4'-P energy: -65.866
bonds (distance) P-C4' energy: -65.629
flat angles C4'-P-C4' energy: -64.391
flat angles P-C4'-P energy: -27.489
tors. eta vs tors. theta energy: -11.286
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 234
Temperature: 1.250000
Total energy: -300.803493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.803493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.803493 (E_RNA)
where:
Base-Base interactions energy: -111.936
where: short stacking energy: -89.766
Base-Backbone interact. energy: 0.997
local terms energy: -189.863748
where:
bonds (distance) C4'-P energy: -62.374
bonds (distance) P-C4' energy: -58.331
flat angles C4'-P-C4' energy: -45.448
flat angles P-C4'-P energy: -20.377
tors. eta vs tors. theta energy: -3.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 234
Temperature: 1.300000
Total energy: -272.523275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.523275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.523275 (E_RNA)
where:
Base-Base interactions energy: -96.482
where: short stacking energy: -80.081
Base-Backbone interact. energy: -0.934
local terms energy: -175.107327
where:
bonds (distance) C4'-P energy: -51.941
bonds (distance) P-C4' energy: -65.291
flat angles C4'-P-C4' energy: -52.131
flat angles P-C4'-P energy: -15.216
tors. eta vs tors. theta energy: 9.472
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: 10
=====================================
Write number: 234
Temperature: 1.350000
Total energy: -308.904186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.904186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.904186 (E_RNA)
where:
Base-Base interactions energy: -112.307
where: short stacking energy: -47.405
Base-Backbone interact. energy: -0.500
local terms energy: -196.096931
where:
bonds (distance) C4'-P energy: -64.085
bonds (distance) P-C4' energy: -68.696
flat angles C4'-P-C4' energy: -51.411
flat angles P-C4'-P energy: -25.741
tors. eta vs tors. theta energy: 13.836
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 235
Temperature: 0.900000
Total energy: -1070.798118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1070.798118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1070.798118 (E_RNA)
where:
Base-Base interactions energy: -692.846
where: short stacking energy: -326.303
Base-Backbone interact. energy: -0.863
local terms energy: -377.089578
where:
bonds (distance) C4'-P energy: -70.003
bonds (distance) P-C4' energy: -73.695
flat angles C4'-P-C4' energy: -72.818
flat angles P-C4'-P energy: -51.642
tors. eta vs tors. theta energy: -108.931
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: 4
=====================================
Write number: 235
Temperature: 0.950000
Total energy: -1011.194940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1011.194940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1011.194940 (E_RNA)
where:
Base-Base interactions energy: -651.332
where: short stacking energy: -300.398
Base-Backbone interact. energy: -1.114
local terms energy: -358.748752
where:
bonds (distance) C4'-P energy: -61.283
bonds (distance) P-C4' energy: -69.590
flat angles C4'-P-C4' energy: -82.019
flat angles P-C4'-P energy: -45.296
tors. eta vs tors. theta energy: -100.560
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 235
Temperature: 1.000000
Total energy: -928.480426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -928.480426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -928.480426 (E_RNA)
where:
Base-Base interactions energy: -588.167
where: short stacking energy: -287.716
Base-Backbone interact. energy: -1.071
local terms energy: -339.242449
where:
bonds (distance) C4'-P energy: -64.720
bonds (distance) P-C4' energy: -62.387
flat angles C4'-P-C4' energy: -71.218
flat angles P-C4'-P energy: -41.962
tors. eta vs tors. theta energy: -98.957
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: 4, replica: 3
=====================================
Write number: 235
Temperature: 1.050000
Total energy: -860.029581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -860.029581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -860.029581 (E_RNA)
where:
Base-Base interactions energy: -546.145
where: short stacking energy: -252.805
Base-Backbone interact. energy: -2.894
local terms energy: -310.991314
where:
bonds (distance) C4'-P energy: -60.391
bonds (distance) P-C4' energy: -60.033
flat angles C4'-P-C4' energy: -71.769
flat angles P-C4'-P energy: -43.631
tors. eta vs tors. theta energy: -75.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 235
Temperature: 1.100000
Total energy: -597.284560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -597.284560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -597.284560 (E_RNA)
where:
Base-Base interactions energy: -325.130
where: short stacking energy: -187.850
Base-Backbone interact. energy: 0.629
local terms energy: -272.783517
where:
bonds (distance) C4'-P energy: -50.684
bonds (distance) P-C4' energy: -68.745
flat angles C4'-P-C4' energy: -64.631
flat angles P-C4'-P energy: -44.245
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: 6, replica: 6
=====================================
Write number: 235
Temperature: 1.150000
Total energy: -604.130970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -604.130970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -604.130970 (E_RNA)
where:
Base-Base interactions energy: -339.018
where: short stacking energy: -159.477
Base-Backbone interact. energy: -2.676
local terms energy: -262.437645
where:
bonds (distance) C4'-P energy: -53.449
bonds (distance) P-C4' energy: -65.500
flat angles C4'-P-C4' energy: -67.004
flat angles P-C4'-P energy: -43.530
tors. eta vs tors. theta energy: -32.954
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: 8
=====================================
Write number: 235
Temperature: 1.200000
Total energy: -362.745988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.745988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.745988 (E_RNA)
where:
Base-Base interactions energy: -143.050
where: short stacking energy: -115.785
Base-Backbone interact. energy: 1.648
local terms energy: -221.343887
where:
bonds (distance) C4'-P energy: -59.396
bonds (distance) P-C4' energy: -69.026
flat angles C4'-P-C4' energy: -50.612
flat angles P-C4'-P energy: -34.533
tors. eta vs tors. theta energy: -7.777
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 235
Temperature: 1.250000
Total energy: -316.408812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.408812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.408812 (E_RNA)
where:
Base-Base interactions energy: -113.479
where: short stacking energy: -97.182
Base-Backbone interact. energy: 0.229
local terms energy: -203.159503
where:
bonds (distance) C4'-P energy: -58.640
bonds (distance) P-C4' energy: -58.803
flat angles C4'-P-C4' energy: -51.449
flat angles P-C4'-P energy: -36.427
tors. eta vs tors. theta energy: 2.160
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: 9
=====================================
Write number: 235
Temperature: 1.300000
Total energy: -296.185425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.185425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.185425 (E_RNA)
where:
Base-Base interactions energy: -90.192
where: short stacking energy: -74.418
Base-Backbone interact. energy: -1.668
local terms energy: -204.324861
where:
bonds (distance) C4'-P energy: -64.094
bonds (distance) P-C4' energy: -59.041
flat angles C4'-P-C4' energy: -65.287
flat angles P-C4'-P energy: -25.795
tors. eta vs tors. theta energy: 9.892
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 235
Temperature: 1.350000
Total energy: -257.219038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.219038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.219038 (E_RNA)
where:
Base-Base interactions energy: -107.931
where: short stacking energy: -72.946
Base-Backbone interact. energy: 1.667
local terms energy: -150.954804
where:
bonds (distance) C4'-P energy: -36.562
bonds (distance) P-C4' energy: -59.759
flat angles C4'-P-C4' energy: -42.050
flat angles P-C4'-P energy: -32.921
tors. eta vs tors. theta energy: 20.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 236
Temperature: 0.900000
Total energy: -1076.216278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1076.216278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1076.216278 (E_RNA)
where:
Base-Base interactions energy: -695.292
where: short stacking energy: -310.154
Base-Backbone interact. energy: -0.883
local terms energy: -380.041917
where:
bonds (distance) C4'-P energy: -77.081
bonds (distance) P-C4' energy: -75.879
flat angles C4'-P-C4' energy: -73.917
flat angles P-C4'-P energy: -47.562
tors. eta vs tors. theta energy: -105.602
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: 4
=====================================
Write number: 236
Temperature: 0.950000
Total energy: -1039.808790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1039.808790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1039.808790 (E_RNA)
where:
Base-Base interactions energy: -680.616
where: short stacking energy: -330.682
Base-Backbone interact. energy: -0.772
local terms energy: -358.421491
where:
bonds (distance) C4'-P energy: -57.982
bonds (distance) P-C4' energy: -69.114
flat angles C4'-P-C4' energy: -71.717
flat angles P-C4'-P energy: -49.030
tors. eta vs tors. theta energy: -110.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 236
Temperature: 1.000000
Total energy: -925.881204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -925.881204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -925.881204 (E_RNA)
where:
Base-Base interactions energy: -571.629
where: short stacking energy: -282.093
Base-Backbone interact. energy: -0.978
local terms energy: -353.274055
where:
bonds (distance) C4'-P energy: -70.328
bonds (distance) P-C4' energy: -72.126
flat angles C4'-P-C4' energy: -77.517
flat angles P-C4'-P energy: -44.580
tors. eta vs tors. theta energy: -88.723
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 236
Temperature: 1.050000
Total energy: -844.682924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -844.682924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -844.682924 (E_RNA)
where:
Base-Base interactions energy: -527.456
where: short stacking energy: -250.182
Base-Backbone interact. energy: -1.541
local terms energy: -315.686418
where:
bonds (distance) C4'-P energy: -60.000
bonds (distance) P-C4' energy: -74.886
flat angles C4'-P-C4' energy: -65.803
flat angles P-C4'-P energy: -40.575
tors. eta vs tors. theta energy: -74.422
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: 6
=====================================
Write number: 236
Temperature: 1.100000
Total energy: -648.072444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -648.072444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -648.072444 (E_RNA)
where:
Base-Base interactions energy: -383.218
where: short stacking energy: -196.910
Base-Backbone interact. energy: -0.149
local terms energy: -264.706052
where:
bonds (distance) C4'-P energy: -52.207
bonds (distance) P-C4' energy: -62.238
flat angles C4'-P-C4' energy: -72.865
flat angles P-C4'-P energy: -41.943
tors. eta vs tors. theta energy: -35.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 236
Temperature: 1.150000
Total energy: -582.975273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -582.975273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -582.975273 (E_RNA)
where:
Base-Base interactions energy: -320.145
where: short stacking energy: -161.239
Base-Backbone interact. energy: -0.583
local terms energy: -262.247682
where:
bonds (distance) C4'-P energy: -62.064
bonds (distance) P-C4' energy: -74.645
flat angles C4'-P-C4' energy: -58.576
flat angles P-C4'-P energy: -36.833
tors. eta vs tors. theta energy: -30.129
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 236
Temperature: 1.200000
Total energy: -362.284837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.284837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.284837 (E_RNA)
where:
Base-Base interactions energy: -155.507
where: short stacking energy: -115.568
Base-Backbone interact. energy: 0.778
local terms energy: -207.555780
where:
bonds (distance) C4'-P energy: -54.584
bonds (distance) P-C4' energy: -51.180
flat angles C4'-P-C4' energy: -58.200
flat angles P-C4'-P energy: -39.286
tors. eta vs tors. theta energy: -4.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 236
Temperature: 1.250000
Total energy: -297.132812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.132812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.132812 (E_RNA)
where:
Base-Base interactions energy: -109.507
where: short stacking energy: -80.535
Base-Backbone interact. energy: -1.591
local terms energy: -186.034237
where:
bonds (distance) C4'-P energy: -59.761
bonds (distance) P-C4' energy: -59.982
flat angles C4'-P-C4' energy: -53.014
flat angles P-C4'-P energy: -26.399
tors. eta vs tors. theta energy: 13.122
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: 9
=====================================
Write number: 236
Temperature: 1.300000
Total energy: -311.819092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.819092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.819092 (E_RNA)
where:
Base-Base interactions energy: -108.927
where: short stacking energy: -82.159
Base-Backbone interact. energy: -0.055
local terms energy: -202.836323
where:
bonds (distance) C4'-P energy: -47.196
bonds (distance) P-C4' energy: -65.134
flat angles C4'-P-C4' energy: -51.459
flat angles P-C4'-P energy: -43.505
tors. eta vs tors. theta energy: 4.457
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: 10
=====================================
Write number: 236
Temperature: 1.350000
Total energy: -267.749934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.749934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.749934 (E_RNA)
where:
Base-Base interactions energy: -50.810
where: short stacking energy: -46.686
Base-Backbone interact. energy: -0.789
local terms energy: -216.151135
where:
bonds (distance) C4'-P energy: -56.475
bonds (distance) P-C4' energy: -72.283
flat angles C4'-P-C4' energy: -56.241
flat angles P-C4'-P energy: -44.997
tors. eta vs tors. theta energy: 13.845
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 237
Temperature: 0.900000
Total energy: -1083.732779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1083.732779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1083.732779 (E_RNA)
where:
Base-Base interactions energy: -712.887
where: short stacking energy: -323.629
Base-Backbone interact. energy: -0.464
local terms energy: -370.381702
where:
bonds (distance) C4'-P energy: -60.504
bonds (distance) P-C4' energy: -72.070
flat angles C4'-P-C4' energy: -79.368
flat angles P-C4'-P energy: -50.381
tors. eta vs tors. theta energy: -108.058
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: 4
=====================================
Write number: 237
Temperature: 0.950000
Total energy: -1041.493624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1041.493624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1041.493624 (E_RNA)
where:
Base-Base interactions energy: -681.782
where: short stacking energy: -306.462
Base-Backbone interact. energy: -0.121
local terms energy: -359.590757
where:
bonds (distance) C4'-P energy: -62.047
bonds (distance) P-C4' energy: -75.297
flat angles C4'-P-C4' energy: -79.131
flat angles P-C4'-P energy: -42.276
tors. eta vs tors. theta energy: -100.841
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: 5
=====================================
Write number: 237
Temperature: 1.000000
Total energy: -904.411384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -904.411384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -904.411384 (E_RNA)
where:
Base-Base interactions energy: -576.061
where: short stacking energy: -271.791
Base-Backbone interact. energy: 0.133
local terms energy: -328.482938
where:
bonds (distance) C4'-P energy: -61.952
bonds (distance) P-C4' energy: -53.668
flat angles C4'-P-C4' energy: -78.520
flat angles P-C4'-P energy: -41.860
tors. eta vs tors. theta energy: -92.483
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: 4, replica: 3
=====================================
Write number: 237
Temperature: 1.050000
Total energy: -816.345778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -816.345778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -816.345778 (E_RNA)
where:
Base-Base interactions energy: -505.898
where: short stacking energy: -221.125
Base-Backbone interact. energy: -3.394
local terms energy: -307.053933
where:
bonds (distance) C4'-P energy: -64.844
bonds (distance) P-C4' energy: -73.017
flat angles C4'-P-C4' energy: -72.027
flat angles P-C4'-P energy: -39.675
tors. eta vs tors. theta energy: -57.490
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: 6
=====================================
Write number: 237
Temperature: 1.100000
Total energy: -622.464888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -622.464888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -622.464888 (E_RNA)
where:
Base-Base interactions energy: -343.079
where: short stacking energy: -159.318
Base-Backbone interact. energy: 0.850
local terms energy: -280.236024
where:
bonds (distance) C4'-P energy: -80.742
bonds (distance) P-C4' energy: -65.404
flat angles C4'-P-C4' energy: -55.170
flat angles P-C4'-P energy: -40.683
tors. eta vs tors. theta energy: -38.237
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: 6, replica: 2
=====================================
Write number: 237
Temperature: 1.150000
Total energy: -535.047405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.047405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.047405 (E_RNA)
where:
Base-Base interactions energy: -300.451
where: short stacking energy: -143.189
Base-Backbone interact. energy: 1.568
local terms energy: -236.163717
where:
bonds (distance) C4'-P energy: -67.606
bonds (distance) P-C4' energy: -72.407
flat angles C4'-P-C4' energy: -53.530
flat angles P-C4'-P energy: -19.818
tors. eta vs tors. theta energy: -22.803
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 237
Temperature: 1.200000
Total energy: -374.596086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -374.596086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -374.596086 (E_RNA)
where:
Base-Base interactions energy: -146.419
where: short stacking energy: -102.243
Base-Backbone interact. energy: -0.529
local terms energy: -227.647885
where:
bonds (distance) C4'-P energy: -61.751
bonds (distance) P-C4' energy: -54.835
flat angles C4'-P-C4' energy: -65.638
flat angles P-C4'-P energy: -33.959
tors. eta vs tors. theta energy: -11.465
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: 9
=====================================
Write number: 237
Temperature: 1.250000
Total energy: -341.874384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.874384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.874384 (E_RNA)
where:
Base-Base interactions energy: -144.128
where: short stacking energy: -112.740
Base-Backbone interact. energy: -0.010
local terms energy: -197.736817
where:
bonds (distance) C4'-P energy: -49.872
bonds (distance) P-C4' energy: -62.442
flat angles C4'-P-C4' energy: -56.755
flat angles P-C4'-P energy: -31.278
tors. eta vs tors. theta energy: 2.610
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: 7
=====================================
Write number: 237
Temperature: 1.300000
Total energy: -295.902026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.902026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.902026 (E_RNA)
where:
Base-Base interactions energy: -112.360
where: short stacking energy: -73.682
Base-Backbone interact. energy: -0.188
local terms energy: -183.353549
where:
bonds (distance) C4'-P energy: -61.973
bonds (distance) P-C4' energy: -56.310
flat angles C4'-P-C4' energy: -50.100
flat angles P-C4'-P energy: -26.079
tors. eta vs tors. theta energy: 11.108
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: 10, replica: 10
=====================================
Write number: 237
Temperature: 1.350000
Total energy: -295.572253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.572253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.572253 (E_RNA)
where:
Base-Base interactions energy: -104.153
where: short stacking energy: -71.358
Base-Backbone interact. energy: -1.271
local terms energy: -190.148229
where:
bonds (distance) C4'-P energy: -56.015
bonds (distance) P-C4' energy: -66.847
flat angles C4'-P-C4' energy: -50.413
flat angles P-C4'-P energy: -25.884
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: 1, replica: 1
=====================================
Write number: 238
Temperature: 0.900000
Total energy: -1083.425121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1083.425121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1083.425121 (E_RNA)
where:
Base-Base interactions energy: -720.331
where: short stacking energy: -346.018
Base-Backbone interact. energy: 0.436
local terms energy: -363.530574
where:
bonds (distance) C4'-P energy: -59.690
bonds (distance) P-C4' energy: -61.219
flat angles C4'-P-C4' energy: -76.816
flat angles P-C4'-P energy: -47.372
tors. eta vs tors. theta energy: -118.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 238
Temperature: 0.950000
Total energy: -1030.918839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1030.918839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1030.918839 (E_RNA)
where:
Base-Base interactions energy: -672.291
where: short stacking energy: -288.121
Base-Backbone interact. energy: -1.242
local terms energy: -357.386354
where:
bonds (distance) C4'-P energy: -62.755
bonds (distance) P-C4' energy: -67.091
flat angles C4'-P-C4' energy: -77.284
flat angles P-C4'-P energy: -60.755
tors. eta vs tors. theta energy: -89.502
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 238
Temperature: 1.000000
Total energy: -937.203948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -937.203948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -937.203948 (E_RNA)
where:
Base-Base interactions energy: -585.424
where: short stacking energy: -260.913
Base-Backbone interact. energy: -2.911
local terms energy: -348.868625
where:
bonds (distance) C4'-P energy: -71.857
bonds (distance) P-C4' energy: -66.508
flat angles C4'-P-C4' energy: -74.721
flat angles P-C4'-P energy: -54.509
tors. eta vs tors. theta energy: -81.273
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: 4, replica: 3
=====================================
Write number: 238
Temperature: 1.050000
Total energy: -818.389060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -818.389060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -818.389060 (E_RNA)
where:
Base-Base interactions energy: -543.258
where: short stacking energy: -231.214
Base-Backbone interact. energy: -0.386
local terms energy: -274.744151
where:
bonds (distance) C4'-P energy: -63.551
bonds (distance) P-C4' energy: -51.930
flat angles C4'-P-C4' energy: -63.479
flat angles P-C4'-P energy: -32.127
tors. eta vs tors. theta energy: -63.658
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 238
Temperature: 1.100000
Total energy: -688.556470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -688.556470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -688.556470 (E_RNA)
where:
Base-Base interactions energy: -407.533
where: short stacking energy: -198.930
Base-Backbone interact. energy: 3.774
local terms energy: -284.797530
where:
bonds (distance) C4'-P energy: -55.575
bonds (distance) P-C4' energy: -66.720
flat angles C4'-P-C4' energy: -70.295
flat angles P-C4'-P energy: -42.617
tors. eta vs tors. theta energy: -49.590
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: 6, replica: 2
=====================================
Write number: 238
Temperature: 1.150000
Total energy: -581.275890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -581.275890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -581.275890 (E_RNA)
where:
Base-Base interactions energy: -317.950
where: short stacking energy: -161.304
Base-Backbone interact. energy: -1.200
local terms energy: -262.126243
where:
bonds (distance) C4'-P energy: -50.986
bonds (distance) P-C4' energy: -68.476
flat angles C4'-P-C4' energy: -64.296
flat angles P-C4'-P energy: -43.745
tors. eta vs tors. theta energy: -34.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 238
Temperature: 1.200000
Total energy: -352.022220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.022220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.022220 (E_RNA)
where:
Base-Base interactions energy: -133.560
where: short stacking energy: -94.042
Base-Backbone interact. energy: -0.659
local terms energy: -217.803862
where:
bonds (distance) C4'-P energy: -60.783
bonds (distance) P-C4' energy: -62.063
flat angles C4'-P-C4' energy: -63.663
flat angles P-C4'-P energy: -34.756
tors. eta vs tors. theta energy: 3.462
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: 8
=====================================
Write number: 238
Temperature: 1.250000
Total energy: -322.360221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.360221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.360221 (E_RNA)
where:
Base-Base interactions energy: -101.479
where: short stacking energy: -82.291
Base-Backbone interact. energy: 0.842
local terms energy: -221.723398
where:
bonds (distance) C4'-P energy: -63.114
bonds (distance) P-C4' energy: -63.139
flat angles C4'-P-C4' energy: -52.537
flat angles P-C4'-P energy: -48.472
tors. eta vs tors. theta energy: 5.537
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 238
Temperature: 1.300000
Total energy: -286.738507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.738507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.738507 (E_RNA)
where:
Base-Base interactions energy: -106.538
where: short stacking energy: -98.899
Base-Backbone interact. energy: -0.150
local terms energy: -180.050985
where:
bonds (distance) C4'-P energy: -53.345
bonds (distance) P-C4' energy: -55.573
flat angles C4'-P-C4' energy: -44.456
flat angles P-C4'-P energy: -32.136
tors. eta vs tors. theta energy: 5.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 238
Temperature: 1.350000
Total energy: -283.357419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.357419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.357419 (E_RNA)
where:
Base-Base interactions energy: -121.085
where: short stacking energy: -82.543
Base-Backbone interact. energy: 2.175
local terms energy: -164.447501
where:
bonds (distance) C4'-P energy: -42.214
bonds (distance) P-C4' energy: -68.028
flat angles C4'-P-C4' energy: -39.641
flat angles P-C4'-P energy: -27.160
tors. eta vs tors. theta energy: 12.596
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: 1, replica: 1
=====================================
Write number: 239
Temperature: 0.900000
Total energy: -1066.852883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1066.852883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1066.852883 (E_RNA)
where:
Base-Base interactions energy: -722.108
where: short stacking energy: -308.838
Base-Backbone interact. energy: -1.268
local terms energy: -343.477202
where:
bonds (distance) C4'-P energy: -64.835
bonds (distance) P-C4' energy: -65.450
flat angles C4'-P-C4' energy: -64.099
flat angles P-C4'-P energy: -41.601
tors. eta vs tors. theta energy: -107.493
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: 4
=====================================
Write number: 239
Temperature: 0.950000
Total energy: -1013.506003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1013.506003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1013.506003 (E_RNA)
where:
Base-Base interactions energy: -656.040
where: short stacking energy: -300.893
Base-Backbone interact. energy: -1.908
local terms energy: -355.557101
where:
bonds (distance) C4'-P energy: -67.067
bonds (distance) P-C4' energy: -72.711
flat angles C4'-P-C4' energy: -75.557
flat angles P-C4'-P energy: -54.261
tors. eta vs tors. theta energy: -85.962
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: 5
=====================================
Write number: 239
Temperature: 1.000000
Total energy: -940.947943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -940.947943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -940.947943 (E_RNA)
where:
Base-Base interactions energy: -604.374
where: short stacking energy: -266.278
Base-Backbone interact. energy: -0.088
local terms energy: -336.485335
where:
bonds (distance) C4'-P energy: -68.891
bonds (distance) P-C4' energy: -65.820
flat angles C4'-P-C4' energy: -72.408
flat angles P-C4'-P energy: -45.516
tors. eta vs tors. theta energy: -83.850
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: 3
=====================================
Write number: 239
Temperature: 1.050000
Total energy: -787.177018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -787.177018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -787.177018 (E_RNA)
where:
Base-Base interactions energy: -494.036
where: short stacking energy: -213.173
Base-Backbone interact. energy: 4.158
local terms energy: -297.299625
where:
bonds (distance) C4'-P energy: -56.799
bonds (distance) P-C4' energy: -71.928
flat angles C4'-P-C4' energy: -64.709
flat angles P-C4'-P energy: -47.173
tors. eta vs tors. theta energy: -56.690
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 239
Temperature: 1.100000
Total energy: -692.215711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -692.215711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -692.215711 (E_RNA)
where:
Base-Base interactions energy: -406.986
where: short stacking energy: -203.716
Base-Backbone interact. energy: -2.023
local terms energy: -283.207213
where:
bonds (distance) C4'-P energy: -63.077
bonds (distance) P-C4' energy: -65.815
flat angles C4'-P-C4' energy: -58.266
flat angles P-C4'-P energy: -41.192
tors. eta vs tors. theta energy: -54.857
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: 2
=====================================
Write number: 239
Temperature: 1.150000
Total energy: -613.302453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -613.302453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -613.302453 (E_RNA)
where:
Base-Base interactions energy: -346.867
where: short stacking energy: -168.938
Base-Backbone interact. energy: -1.004
local terms energy: -265.431417
where:
bonds (distance) C4'-P energy: -71.862
bonds (distance) P-C4' energy: -67.451
flat angles C4'-P-C4' energy: -64.200
flat angles P-C4'-P energy: -26.397
tors. eta vs tors. theta energy: -35.522
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: 9
=====================================
Write number: 239
Temperature: 1.200000
Total energy: -359.459816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.459816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.459816 (E_RNA)
where:
Base-Base interactions energy: -141.590
where: short stacking energy: -106.691
Base-Backbone interact. energy: 0.396
local terms energy: -218.265773
where:
bonds (distance) C4'-P energy: -55.717
bonds (distance) P-C4' energy: -62.003
flat angles C4'-P-C4' energy: -59.026
flat angles P-C4'-P energy: -36.048
tors. eta vs tors. theta energy: -5.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 239
Temperature: 1.250000
Total energy: -311.139509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.139509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.139509 (E_RNA)
where:
Base-Base interactions energy: -95.213
where: short stacking energy: -78.963
Base-Backbone interact. energy: -2.440
local terms energy: -213.486466
where:
bonds (distance) C4'-P energy: -55.236
bonds (distance) P-C4' energy: -73.442
flat angles C4'-P-C4' energy: -54.052
flat angles P-C4'-P energy: -34.628
tors. eta vs tors. theta energy: 3.871
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 239
Temperature: 1.300000
Total energy: -296.575519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.575519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.575519 (E_RNA)
where:
Base-Base interactions energy: -89.647
where: short stacking energy: -67.931
Base-Backbone interact. energy: -1.555
local terms energy: -205.373577
where:
bonds (distance) C4'-P energy: -64.093
bonds (distance) P-C4' energy: -68.677
flat angles C4'-P-C4' energy: -61.282
flat angles P-C4'-P energy: -17.991
tors. eta vs tors. theta energy: 6.670
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: 7
=====================================
Write number: 239
Temperature: 1.350000
Total energy: -251.358778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.358778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.358778 (E_RNA)
where:
Base-Base interactions energy: -71.788
where: short stacking energy: -55.608
Base-Backbone interact. energy: 2.051
local terms energy: -181.620994
where:
bonds (distance) C4'-P energy: -57.654
bonds (distance) P-C4' energy: -58.271
flat angles C4'-P-C4' energy: -37.194
flat angles P-C4'-P energy: -36.175
tors. eta vs tors. theta energy: 7.673
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: 240
Temperature: 0.900000
Total energy: -1100.718957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1100.718957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1100.718957 (E_RNA)
where:
Base-Base interactions energy: -730.088
where: short stacking energy: -317.501
Base-Backbone interact. energy: -0.788
local terms energy: -369.842671
where:
bonds (distance) C4'-P energy: -70.076
bonds (distance) P-C4' energy: -67.794
flat angles C4'-P-C4' energy: -79.111
flat angles P-C4'-P energy: -35.662
tors. eta vs tors. theta energy: -117.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 240
Temperature: 0.950000
Total energy: -1021.314291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1021.314291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1021.314291 (E_RNA)
where:
Base-Base interactions energy: -658.679
where: short stacking energy: -302.894
Base-Backbone interact. energy: 1.425
local terms energy: -364.060191
where:
bonds (distance) C4'-P energy: -76.452
bonds (distance) P-C4' energy: -76.754
flat angles C4'-P-C4' energy: -68.823
flat angles P-C4'-P energy: -46.570
tors. eta vs tors. theta energy: -95.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 240
Temperature: 1.000000
Total energy: -976.131270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -976.131270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -976.131270 (E_RNA)
where:
Base-Base interactions energy: -624.482
where: short stacking energy: -309.729
Base-Backbone interact. energy: -2.033
local terms energy: -349.615680
where:
bonds (distance) C4'-P energy: -67.126
bonds (distance) P-C4' energy: -72.477
flat angles C4'-P-C4' energy: -75.455
flat angles P-C4'-P energy: -44.517
tors. eta vs tors. theta energy: -90.042
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: 3
=====================================
Write number: 240
Temperature: 1.050000
Total energy: -851.493141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -851.493141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -851.493141 (E_RNA)
where:
Base-Base interactions energy: -556.920
where: short stacking energy: -249.422
Base-Backbone interact. energy: -0.830
local terms energy: -293.742390
where:
bonds (distance) C4'-P energy: -55.056
bonds (distance) P-C4' energy: -68.176
flat angles C4'-P-C4' energy: -64.010
flat angles P-C4'-P energy: -35.717
tors. eta vs tors. theta energy: -70.783
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: 6
=====================================
Write number: 240
Temperature: 1.100000
Total energy: -705.016338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -705.016338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -705.016338 (E_RNA)
where:
Base-Base interactions energy: -430.843
where: short stacking energy: -213.076
Base-Backbone interact. energy: -1.268
local terms energy: -272.904806
where:
bonds (distance) C4'-P energy: -64.358
bonds (distance) P-C4' energy: -56.776
flat angles C4'-P-C4' energy: -62.924
flat angles P-C4'-P energy: -35.431
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: 6, replica: 2
=====================================
Write number: 240
Temperature: 1.150000
Total energy: -578.604407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -578.604407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -578.604407 (E_RNA)
where:
Base-Base interactions energy: -343.420
where: short stacking energy: -167.610
Base-Backbone interact. energy: -1.026
local terms energy: -234.158832
where:
bonds (distance) C4'-P energy: -43.364
bonds (distance) P-C4' energy: -66.384
flat angles C4'-P-C4' energy: -61.482
flat angles P-C4'-P energy: -30.977
tors. eta vs tors. theta energy: -31.951
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: 240
Temperature: 1.200000
Total energy: -364.060396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.060396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.060396 (E_RNA)
where:
Base-Base interactions energy: -126.574
where: short stacking energy: -107.131
Base-Backbone interact. energy: -1.268
local terms energy: -236.218768
where:
bonds (distance) C4'-P energy: -72.997
bonds (distance) P-C4' energy: -62.940
flat angles C4'-P-C4' energy: -54.973
flat angles P-C4'-P energy: -35.525
tors. eta vs tors. theta energy: -9.785
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 240
Temperature: 1.250000
Total energy: -322.856284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.856284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.856284 (E_RNA)
where:
Base-Base interactions energy: -127.671
where: short stacking energy: -85.577
Base-Backbone interact. energy: 0.622
local terms energy: -195.807241
where:
bonds (distance) C4'-P energy: -62.718
bonds (distance) P-C4' energy: -67.785
flat angles C4'-P-C4' energy: -34.888
flat angles P-C4'-P energy: -38.577
tors. eta vs tors. theta energy: 8.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 240
Temperature: 1.300000
Total energy: -284.050609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.050609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.050609 (E_RNA)
where:
Base-Base interactions energy: -86.427
where: short stacking energy: -76.062
Base-Backbone interact. energy: -0.734
local terms energy: -196.889774
where:
bonds (distance) C4'-P energy: -55.862
bonds (distance) P-C4' energy: -63.299
flat angles C4'-P-C4' energy: -49.853
flat angles P-C4'-P energy: -36.512
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: 10, replica: 7
=====================================
Write number: 240
Temperature: 1.350000
Total energy: -272.862290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.862290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.862290 (E_RNA)
where:
Base-Base interactions energy: -90.847
where: short stacking energy: -68.086
Base-Backbone interact. energy: 2.233
local terms energy: -184.248197
where:
bonds (distance) C4'-P energy: -64.086
bonds (distance) P-C4' energy: -52.757
flat angles C4'-P-C4' energy: -51.440
flat angles P-C4'-P energy: -20.120
tors. eta vs tors. theta energy: 4.154
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 241
Temperature: 0.900000
Total energy: -1081.221526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1081.221526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1081.221526 (E_RNA)
where:
Base-Base interactions energy: -703.617
where: short stacking energy: -323.874
Base-Backbone interact. energy: -2.806
local terms energy: -374.798204
where:
bonds (distance) C4'-P energy: -70.076
bonds (distance) P-C4' energy: -70.053
flat angles C4'-P-C4' energy: -75.946
flat angles P-C4'-P energy: -52.778
tors. eta vs tors. theta energy: -105.945
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 241
Temperature: 0.950000
Total energy: -1018.426543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1018.426543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1018.426543 (E_RNA)
where:
Base-Base interactions energy: -690.766
where: short stacking energy: -311.434
Base-Backbone interact. energy: -0.779
local terms energy: -326.881175
where:
bonds (distance) C4'-P energy: -63.178
bonds (distance) P-C4' energy: -57.318
flat angles C4'-P-C4' energy: -69.101
flat angles P-C4'-P energy: -47.666
tors. eta vs tors. theta energy: -89.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 241
Temperature: 1.000000
Total energy: -902.545911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -902.545911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -902.545911 (E_RNA)
where:
Base-Base interactions energy: -569.677
where: short stacking energy: -271.042
Base-Backbone interact. energy: -1.323
local terms energy: -331.545764
where:
bonds (distance) C4'-P energy: -65.077
bonds (distance) P-C4' energy: -73.629
flat angles C4'-P-C4' energy: -68.152
flat angles P-C4'-P energy: -47.174
tors. eta vs tors. theta energy: -77.514
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 241
Temperature: 1.050000
Total energy: -844.078216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -844.078216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -844.078216 (E_RNA)
where:
Base-Base interactions energy: -528.322
where: short stacking energy: -221.724
Base-Backbone interact. energy: -1.113
local terms energy: -314.643518
where:
bonds (distance) C4'-P energy: -68.455
bonds (distance) P-C4' energy: -61.422
flat angles C4'-P-C4' energy: -68.532
flat angles P-C4'-P energy: -44.812
tors. eta vs tors. theta energy: -71.422
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: 6
=====================================
Write number: 241
Temperature: 1.100000
Total energy: -698.306350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -698.306350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -698.306350 (E_RNA)
where:
Base-Base interactions energy: -421.416
where: short stacking energy: -187.296
Base-Backbone interact. energy: -0.024
local terms energy: -276.867139
where:
bonds (distance) C4'-P energy: -47.008
bonds (distance) P-C4' energy: -75.155
flat angles C4'-P-C4' energy: -71.190
flat angles P-C4'-P energy: -40.405
tors. eta vs tors. theta energy: -43.109
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 241
Temperature: 1.150000
Total energy: -659.880695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -659.880695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -659.880695 (E_RNA)
where:
Base-Base interactions energy: -387.700
where: short stacking energy: -210.807
Base-Backbone interact. energy: 1.938
local terms energy: -274.118833
where:
bonds (distance) C4'-P energy: -44.728
bonds (distance) P-C4' energy: -64.954
flat angles C4'-P-C4' energy: -68.344
flat angles P-C4'-P energy: -35.156
tors. eta vs tors. theta energy: -60.936
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 241
Temperature: 1.200000
Total energy: -357.215052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.215052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.215052 (E_RNA)
where:
Base-Base interactions energy: -136.626
where: short stacking energy: -110.145
Base-Backbone interact. energy: 0.364
local terms energy: -220.952943
where:
bonds (distance) C4'-P energy: -60.284
bonds (distance) P-C4' energy: -61.482
flat angles C4'-P-C4' energy: -53.683
flat angles P-C4'-P energy: -35.492
tors. eta vs tors. theta energy: -10.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 241
Temperature: 1.250000
Total energy: -340.403042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.403042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.403042 (E_RNA)
where:
Base-Base interactions energy: -135.077
where: short stacking energy: -77.862
Base-Backbone interact. energy: -0.392
local terms energy: -204.933934
where:
bonds (distance) C4'-P energy: -50.483
bonds (distance) P-C4' energy: -61.982
flat angles C4'-P-C4' energy: -55.770
flat angles P-C4'-P energy: -38.039
tors. eta vs tors. theta energy: 1.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 241
Temperature: 1.300000
Total energy: -296.151440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.151440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.151440 (E_RNA)
where:
Base-Base interactions energy: -111.630
where: short stacking energy: -86.022
Base-Backbone interact. energy: 0.220
local terms energy: -184.740724
where:
bonds (distance) C4'-P energy: -51.061
bonds (distance) P-C4' energy: -56.183
flat angles C4'-P-C4' energy: -58.086
flat angles P-C4'-P energy: -24.283
tors. eta vs tors. theta energy: 4.873
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: 7
=====================================
Write number: 241
Temperature: 1.350000
Total energy: -280.295002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.295002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.295002 (E_RNA)
where:
Base-Base interactions energy: -92.904
where: short stacking energy: -68.166
Base-Backbone interact. energy: 1.332
local terms energy: -188.723470
where:
bonds (distance) C4'-P energy: -46.220
bonds (distance) P-C4' energy: -60.165
flat angles C4'-P-C4' energy: -52.998
flat angles P-C4'-P energy: -32.585
tors. eta vs tors. theta energy: 3.245
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 242
Temperature: 0.900000
Total energy: -1097.377806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1097.377806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1097.377806 (E_RNA)
where:
Base-Base interactions energy: -721.832
where: short stacking energy: -332.727
Base-Backbone interact. energy: -2.808
local terms energy: -372.737684
where:
bonds (distance) C4'-P energy: -69.200
bonds (distance) P-C4' energy: -65.664
flat angles C4'-P-C4' energy: -79.655
flat angles P-C4'-P energy: -51.847
tors. eta vs tors. theta energy: -106.370
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 242
Temperature: 0.950000
Total energy: -1011.879166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1011.879166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1011.879166 (E_RNA)
where:
Base-Base interactions energy: -637.845
where: short stacking energy: -302.669
Base-Backbone interact. energy: -0.835
local terms energy: -373.199135
where:
bonds (distance) C4'-P energy: -74.210
bonds (distance) P-C4' energy: -74.443
flat angles C4'-P-C4' energy: -75.014
flat angles P-C4'-P energy: -51.346
tors. eta vs tors. theta energy: -98.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 242
Temperature: 1.000000
Total energy: -977.405622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -977.405622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -977.405622 (E_RNA)
where:
Base-Base interactions energy: -625.790
where: short stacking energy: -292.173
Base-Backbone interact. energy: -1.675
local terms energy: -349.940116
where:
bonds (distance) C4'-P energy: -72.128
bonds (distance) P-C4' energy: -65.176
flat angles C4'-P-C4' energy: -63.526
flat angles P-C4'-P energy: -55.577
tors. eta vs tors. theta energy: -93.533
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 242
Temperature: 1.050000
Total energy: -796.621295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -796.621295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -796.621295 (E_RNA)
where:
Base-Base interactions energy: -503.777
where: short stacking energy: -242.123
Base-Backbone interact. energy: -1.158
local terms energy: -291.685842
where:
bonds (distance) C4'-P energy: -58.936
bonds (distance) P-C4' energy: -57.504
flat angles C4'-P-C4' energy: -67.401
flat angles P-C4'-P energy: -45.871
tors. eta vs tors. theta energy: -61.974
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 242
Temperature: 1.100000
Total energy: -672.125269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -672.125269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -672.125269 (E_RNA)
where:
Base-Base interactions energy: -398.358
where: short stacking energy: -184.260
Base-Backbone interact. energy: -2.338
local terms energy: -271.429385
where:
bonds (distance) C4'-P energy: -63.778
bonds (distance) P-C4' energy: -58.887
flat angles C4'-P-C4' energy: -60.558
flat angles P-C4'-P energy: -48.577
tors. eta vs tors. theta energy: -39.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 242
Temperature: 1.150000
Total energy: -570.842191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -570.842191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -570.842191 (E_RNA)
where:
Base-Base interactions energy: -328.774
where: short stacking energy: -162.089
Base-Backbone interact. energy: -0.920
local terms energy: -241.148743
where:
bonds (distance) C4'-P energy: -67.732
bonds (distance) P-C4' energy: -58.962
flat angles C4'-P-C4' energy: -59.294
flat angles P-C4'-P energy: -34.620
tors. eta vs tors. theta energy: -20.541
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 242
Temperature: 1.200000
Total energy: -323.953405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.953405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.953405 (E_RNA)
where:
Base-Base interactions energy: -121.651
where: short stacking energy: -106.509
Base-Backbone interact. energy: 0.380
local terms energy: -202.683170
where:
bonds (distance) C4'-P energy: -58.946
bonds (distance) P-C4' energy: -54.799
flat angles C4'-P-C4' energy: -57.418
flat angles P-C4'-P energy: -30.389
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: 8, replica: 9
=====================================
Write number: 242
Temperature: 1.250000
Total energy: -348.036622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.036622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.036622 (E_RNA)
where:
Base-Base interactions energy: -132.492
where: short stacking energy: -110.370
Base-Backbone interact. energy: -1.240
local terms energy: -214.304522
where:
bonds (distance) C4'-P energy: -59.559
bonds (distance) P-C4' energy: -65.269
flat angles C4'-P-C4' energy: -58.516
flat angles P-C4'-P energy: -34.816
tors. eta vs tors. theta energy: 3.855
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: 10
=====================================
Write number: 242
Temperature: 1.300000
Total energy: -297.582317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.582317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.582317 (E_RNA)
where:
Base-Base interactions energy: -111.480
where: short stacking energy: -73.397
Base-Backbone interact. energy: -3.897
local terms energy: -182.205588
where:
bonds (distance) C4'-P energy: -49.625
bonds (distance) P-C4' energy: -64.911
flat angles C4'-P-C4' energy: -45.321
flat angles P-C4'-P energy: -36.886
tors. eta vs tors. theta energy: 14.537
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: 7
=====================================
Write number: 242
Temperature: 1.350000
Total energy: -276.096952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.096952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.096952 (E_RNA)
where:
Base-Base interactions energy: -91.141
where: short stacking energy: -65.060
Base-Backbone interact. energy: -0.828
local terms energy: -184.128352
where:
bonds (distance) C4'-P energy: -58.227
bonds (distance) P-C4' energy: -51.404
flat angles C4'-P-C4' energy: -51.559
flat angles P-C4'-P energy: -33.061
tors. eta vs tors. theta energy: 10.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 243
Temperature: 0.900000
Total energy: -1109.190247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1109.190247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1109.190247 (E_RNA)
where:
Base-Base interactions energy: -737.857
where: short stacking energy: -326.038
Base-Backbone interact. energy: -0.984
local terms energy: -370.349419
where:
bonds (distance) C4'-P energy: -65.559
bonds (distance) P-C4' energy: -72.317
flat angles C4'-P-C4' energy: -81.256
flat angles P-C4'-P energy: -49.658
tors. eta vs tors. theta energy: -101.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 243
Temperature: 0.950000
Total energy: -1037.704532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1037.704532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1037.704532 (E_RNA)
where:
Base-Base interactions energy: -681.088
where: short stacking energy: -316.044
Base-Backbone interact. energy: 1.196
local terms energy: -357.812907
where:
bonds (distance) C4'-P energy: -66.781
bonds (distance) P-C4' energy: -71.707
flat angles C4'-P-C4' energy: -76.375
flat angles P-C4'-P energy: -47.449
tors. eta vs tors. theta energy: -95.500
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 243
Temperature: 1.000000
Total energy: -967.761971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -967.761971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -967.761971 (E_RNA)
where:
Base-Base interactions energy: -617.833
where: short stacking energy: -292.505
Base-Backbone interact. energy: -1.748
local terms energy: -348.180387
where:
bonds (distance) C4'-P energy: -66.944
bonds (distance) P-C4' energy: -72.690
flat angles C4'-P-C4' energy: -72.991
flat angles P-C4'-P energy: -49.358
tors. eta vs tors. theta energy: -86.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 243
Temperature: 1.050000
Total energy: -814.943643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -814.943643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -814.943643 (E_RNA)
where:
Base-Base interactions energy: -525.290
where: short stacking energy: -236.251
Base-Backbone interact. energy: 1.998
local terms energy: -291.651027
where:
bonds (distance) C4'-P energy: -61.347
bonds (distance) P-C4' energy: -69.068
flat angles C4'-P-C4' energy: -58.724
flat angles P-C4'-P energy: -43.457
tors. eta vs tors. theta energy: -59.054
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: 6
=====================================
Write number: 243
Temperature: 1.100000
Total energy: -634.987446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -634.987446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -634.987446 (E_RNA)
where:
Base-Base interactions energy: -360.572
where: short stacking energy: -196.645
Base-Backbone interact. energy: -1.040
local terms energy: -273.375859
where:
bonds (distance) C4'-P energy: -64.186
bonds (distance) P-C4' energy: -64.444
flat angles C4'-P-C4' energy: -47.080
flat angles P-C4'-P energy: -48.703
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: 6, replica: 2
=====================================
Write number: 243
Temperature: 1.150000
Total energy: -583.914744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -583.914744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -583.914744 (E_RNA)
where:
Base-Base interactions energy: -331.741
where: short stacking energy: -160.529
Base-Backbone interact. energy: -1.447
local terms energy: -250.726843
where:
bonds (distance) C4'-P energy: -55.907
bonds (distance) P-C4' energy: -60.923
flat angles C4'-P-C4' energy: -64.507
flat angles P-C4'-P energy: -43.431
tors. eta vs tors. theta energy: -25.958
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: 8
=====================================
Write number: 243
Temperature: 1.200000
Total energy: -359.409598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.409598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.409598 (E_RNA)
where:
Base-Base interactions energy: -131.983
where: short stacking energy: -101.985
Base-Backbone interact. energy: -1.370
local terms energy: -226.056036
where:
bonds (distance) C4'-P energy: -77.704
bonds (distance) P-C4' energy: -61.765
flat angles C4'-P-C4' energy: -54.244
flat angles P-C4'-P energy: -31.368
tors. eta vs tors. theta energy: -0.975
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: 9
=====================================
Write number: 243
Temperature: 1.250000
Total energy: -303.437759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.437759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.437759 (E_RNA)
where:
Base-Base interactions energy: -92.464
where: short stacking energy: -83.268
Base-Backbone interact. energy: -0.757
local terms energy: -210.216536
where:
bonds (distance) C4'-P energy: -57.806
bonds (distance) P-C4' energy: -67.748
flat angles C4'-P-C4' energy: -44.307
flat angles P-C4'-P energy: -42.705
tors. eta vs tors. theta energy: 2.349
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 243
Temperature: 1.300000
Total energy: -308.659767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.659767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.659767 (E_RNA)
where:
Base-Base interactions energy: -123.573
where: short stacking energy: -81.166
Base-Backbone interact. energy: 1.511
local terms energy: -186.597567
where:
bonds (distance) C4'-P energy: -42.502
bonds (distance) P-C4' energy: -66.127
flat angles C4'-P-C4' energy: -51.988
flat angles P-C4'-P energy: -34.861
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: 10, replica: 7
=====================================
Write number: 243
Temperature: 1.350000
Total energy: -270.138552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.138552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.138552 (E_RNA)
where:
Base-Base interactions energy: -97.020
where: short stacking energy: -72.765
Base-Backbone interact. energy: 1.547
local terms energy: -174.666154
where:
bonds (distance) C4'-P energy: -49.048
bonds (distance) P-C4' energy: -56.438
flat angles C4'-P-C4' energy: -56.999
flat angles P-C4'-P energy: -30.928
tors. eta vs tors. theta energy: 18.747
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: 1, replica: 4
=====================================
Write number: 244
Temperature: 0.900000
Total energy: -1064.903414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1064.903414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1064.903414 (E_RNA)
where:
Base-Base interactions energy: -689.838
where: short stacking energy: -324.376
Base-Backbone interact. energy: -0.748
local terms energy: -374.317284
where:
bonds (distance) C4'-P energy: -73.442
bonds (distance) P-C4' energy: -69.696
flat angles C4'-P-C4' energy: -71.886
flat angles P-C4'-P energy: -52.102
tors. eta vs tors. theta energy: -107.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 244
Temperature: 0.950000
Total energy: -1040.713125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1040.713125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1040.713125 (E_RNA)
where:
Base-Base interactions energy: -691.363
where: short stacking energy: -299.238
Base-Backbone interact. energy: -4.738
local terms energy: -344.612068
where:
bonds (distance) C4'-P energy: -66.953
bonds (distance) P-C4' energy: -67.946
flat angles C4'-P-C4' energy: -70.335
flat angles P-C4'-P energy: -39.878
tors. eta vs tors. theta energy: -99.500
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 244
Temperature: 1.000000
Total energy: -954.395390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -954.395390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -954.395390 (E_RNA)
where:
Base-Base interactions energy: -598.425
where: short stacking energy: -286.027
Base-Backbone interact. energy: -0.894
local terms energy: -355.076447
where:
bonds (distance) C4'-P energy: -61.778
bonds (distance) P-C4' energy: -66.204
flat angles C4'-P-C4' energy: -78.411
flat angles P-C4'-P energy: -53.897
tors. eta vs tors. theta energy: -94.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 244
Temperature: 1.050000
Total energy: -767.049218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -767.049218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -767.049218 (E_RNA)
where:
Base-Base interactions energy: -492.988
where: short stacking energy: -212.979
Base-Backbone interact. energy: 0.848
local terms energy: -274.909063
where:
bonds (distance) C4'-P energy: -57.824
bonds (distance) P-C4' energy: -64.195
flat angles C4'-P-C4' energy: -71.515
flat angles P-C4'-P energy: -41.595
tors. eta vs tors. theta energy: -39.779
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 244
Temperature: 1.100000
Total energy: -625.606363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -625.606363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -625.606363 (E_RNA)
where:
Base-Base interactions energy: -383.346
where: short stacking energy: -197.585
Base-Backbone interact. energy: -0.527
local terms energy: -241.733930
where:
bonds (distance) C4'-P energy: -34.710
bonds (distance) P-C4' energy: -68.942
flat angles C4'-P-C4' energy: -60.576
flat angles P-C4'-P energy: -37.935
tors. eta vs tors. theta energy: -39.571
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: 6
=====================================
Write number: 244
Temperature: 1.150000
Total energy: -561.907852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -561.907852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -561.907852 (E_RNA)
where:
Base-Base interactions energy: -319.558
where: short stacking energy: -165.839
Base-Backbone interact. energy: -0.223
local terms energy: -242.126187
where:
bonds (distance) C4'-P energy: -58.784
bonds (distance) P-C4' energy: -55.125
flat angles C4'-P-C4' energy: -64.438
flat angles P-C4'-P energy: -36.540
tors. eta vs tors. theta energy: -27.239
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 244
Temperature: 1.200000
Total energy: -345.529421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.529421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.529421 (E_RNA)
where:
Base-Base interactions energy: -134.191
where: short stacking energy: -108.179
Base-Backbone interact. energy: -0.399
local terms energy: -210.939570
where:
bonds (distance) C4'-P energy: -57.479
bonds (distance) P-C4' energy: -60.153
flat angles C4'-P-C4' energy: -64.795
flat angles P-C4'-P energy: -24.336
tors. eta vs tors. theta energy: -4.176
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 244
Temperature: 1.250000
Total energy: -314.100900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.100900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.100900 (E_RNA)
where:
Base-Base interactions energy: -111.546
where: short stacking energy: -95.313
Base-Backbone interact. energy: -2.075
local terms energy: -200.479124
where:
bonds (distance) C4'-P energy: -50.188
bonds (distance) P-C4' energy: -58.463
flat angles C4'-P-C4' energy: -57.352
flat angles P-C4'-P energy: -28.413
tors. eta vs tors. theta energy: -6.064
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 244
Temperature: 1.300000
Total energy: -288.058035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.058035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.058035 (E_RNA)
where:
Base-Base interactions energy: -110.954
where: short stacking energy: -74.847
Base-Backbone interact. energy: 2.010
local terms energy: -179.113770
where:
bonds (distance) C4'-P energy: -47.553
bonds (distance) P-C4' energy: -59.528
flat angles C4'-P-C4' energy: -47.516
flat angles P-C4'-P energy: -29.564
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: 7
=====================================
Write number: 244
Temperature: 1.350000
Total energy: -273.410892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.410892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.410892 (E_RNA)
where:
Base-Base interactions energy: -95.076
where: short stacking energy: -78.432
Base-Backbone interact. energy: 2.435
local terms energy: -180.769914
where:
bonds (distance) C4'-P energy: -51.295
bonds (distance) P-C4' energy: -62.197
flat angles C4'-P-C4' energy: -46.110
flat angles P-C4'-P energy: -24.508
tors. eta vs tors. theta energy: 3.340
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: 1, replica: 4
=====================================
Write number: 245
Temperature: 0.900000
Total energy: -1071.550221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1071.550221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1071.550221 (E_RNA)
where:
Base-Base interactions energy: -704.864
where: short stacking energy: -342.532
Base-Backbone interact. energy: -0.231
local terms energy: -366.455011
where:
bonds (distance) C4'-P energy: -63.122
bonds (distance) P-C4' energy: -69.266
flat angles C4'-P-C4' energy: -76.255
flat angles P-C4'-P energy: -53.671
tors. eta vs tors. theta energy: -104.140
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: 2, replica: 1
=====================================
Write number: 245
Temperature: 0.950000
Total energy: -1034.049424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1034.049424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1034.049424 (E_RNA)
where:
Base-Base interactions energy: -672.050
where: short stacking energy: -285.491
Base-Backbone interact. energy: -1.824
local terms energy: -360.174983
where:
bonds (distance) C4'-P energy: -68.281
bonds (distance) P-C4' energy: -69.707
flat angles C4'-P-C4' energy: -71.276
flat angles P-C4'-P energy: -42.302
tors. eta vs tors. theta energy: -108.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 245
Temperature: 1.000000
Total energy: -966.529678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -966.529678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -966.529678 (E_RNA)
where:
Base-Base interactions energy: -613.396
where: short stacking energy: -290.240
Base-Backbone interact. energy: -1.716
local terms energy: -351.418027
where:
bonds (distance) C4'-P energy: -70.426
bonds (distance) P-C4' energy: -67.275
flat angles C4'-P-C4' energy: -72.343
flat angles P-C4'-P energy: -49.815
tors. eta vs tors. theta energy: -91.559
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: 245
Temperature: 1.050000
Total energy: -822.440017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -822.440017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -822.440017 (E_RNA)
where:
Base-Base interactions energy: -522.177
where: short stacking energy: -212.550
Base-Backbone interact. energy: -2.756
local terms energy: -297.507858
where:
bonds (distance) C4'-P energy: -62.069
bonds (distance) P-C4' energy: -70.806
flat angles C4'-P-C4' energy: -64.600
flat angles P-C4'-P energy: -36.728
tors. eta vs tors. theta energy: -63.306
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: 2
=====================================
Write number: 245
Temperature: 1.100000
Total energy: -637.435947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -637.435947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -637.435947 (E_RNA)
where:
Base-Base interactions energy: -368.907
where: short stacking energy: -167.655
Base-Backbone interact. energy: -0.429
local terms energy: -268.100880
where:
bonds (distance) C4'-P energy: -52.037
bonds (distance) P-C4' energy: -76.861
flat angles C4'-P-C4' energy: -64.663
flat angles P-C4'-P energy: -47.816
tors. eta vs tors. theta energy: -26.724
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 245
Temperature: 1.150000
Total energy: -525.555149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.555149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.555149 (E_RNA)
where:
Base-Base interactions energy: -261.859
where: short stacking energy: -131.944
Base-Backbone interact. energy: 0.805
local terms energy: -264.500455
where:
bonds (distance) C4'-P energy: -63.097
bonds (distance) P-C4' energy: -68.925
flat angles C4'-P-C4' energy: -67.225
flat angles P-C4'-P energy: -39.535
tors. eta vs tors. theta energy: -25.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 245
Temperature: 1.200000
Total energy: -370.271963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.271963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.271963 (E_RNA)
where:
Base-Base interactions energy: -150.900
where: short stacking energy: -104.800
Base-Backbone interact. energy: 0.624
local terms energy: -219.995583
where:
bonds (distance) C4'-P energy: -59.715
bonds (distance) P-C4' energy: -62.293
flat angles C4'-P-C4' energy: -58.885
flat angles P-C4'-P energy: -33.629
tors. eta vs tors. theta energy: -5.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 245
Temperature: 1.250000
Total energy: -317.640365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.640365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.640365 (E_RNA)
where:
Base-Base interactions energy: -107.318
where: short stacking energy: -88.650
Base-Backbone interact. energy: -0.612
local terms energy: -209.710213
where:
bonds (distance) C4'-P energy: -57.687
bonds (distance) P-C4' energy: -61.365
flat angles C4'-P-C4' energy: -59.671
flat angles P-C4'-P energy: -34.737
tors. eta vs tors. theta energy: 3.749
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: 9, replica: 9
=====================================
Write number: 245
Temperature: 1.300000
Total energy: -308.410808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.410808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.410808 (E_RNA)
where:
Base-Base interactions energy: -112.728
where: short stacking energy: -82.372
Base-Backbone interact. energy: 3.563
local terms energy: -199.246006
where:
bonds (distance) C4'-P energy: -59.218
bonds (distance) P-C4' energy: -53.302
flat angles C4'-P-C4' energy: -49.361
flat angles P-C4'-P energy: -42.231
tors. eta vs tors. theta energy: 4.865
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 245
Temperature: 1.350000
Total energy: -272.245766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.245766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.245766 (E_RNA)
where:
Base-Base interactions energy: -104.688
where: short stacking energy: -86.143
Base-Backbone interact. energy: 3.853
local terms energy: -171.410571
where:
bonds (distance) C4'-P energy: -54.718
bonds (distance) P-C4' energy: -61.478
flat angles C4'-P-C4' energy: -24.917
flat angles P-C4'-P energy: -33.167
tors. eta vs tors. theta energy: 2.869
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 246
Temperature: 0.900000
Total energy: -1101.180827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1101.180827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1101.180827 (E_RNA)
where:
Base-Base interactions energy: -734.098
where: short stacking energy: -324.813
Base-Backbone interact. energy: -0.344
local terms energy: -366.738001
where:
bonds (distance) C4'-P energy: -70.766
bonds (distance) P-C4' energy: -65.804
flat angles C4'-P-C4' energy: -79.809
flat angles P-C4'-P energy: -40.942
tors. eta vs tors. theta energy: -109.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 246
Temperature: 0.950000
Total energy: -1031.234258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1031.234258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1031.234258 (E_RNA)
where:
Base-Base interactions energy: -696.871
where: short stacking energy: -305.303
Base-Backbone interact. energy: 0.982
local terms energy: -335.344747
where:
bonds (distance) C4'-P energy: -41.322
bonds (distance) P-C4' energy: -68.392
flat angles C4'-P-C4' energy: -73.786
flat angles P-C4'-P energy: -52.386
tors. eta vs tors. theta energy: -99.459
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: 246
Temperature: 1.000000
Total energy: -965.339868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -965.339868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -965.339868 (E_RNA)
where:
Base-Base interactions energy: -607.230
where: short stacking energy: -308.344
Base-Backbone interact. energy: -1.035
local terms energy: -357.074907
where:
bonds (distance) C4'-P energy: -58.047
bonds (distance) P-C4' energy: -72.344
flat angles C4'-P-C4' energy: -70.270
flat angles P-C4'-P energy: -53.714
tors. eta vs tors. theta energy: -102.700
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 246
Temperature: 1.050000
Total energy: -808.265360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -808.265360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -808.265360 (E_RNA)
where:
Base-Base interactions energy: -521.136
where: short stacking energy: -215.849
Base-Backbone interact. energy: 2.349
local terms energy: -289.477852
where:
bonds (distance) C4'-P energy: -58.765
bonds (distance) P-C4' energy: -62.429
flat angles C4'-P-C4' energy: -71.426
flat angles P-C4'-P energy: -44.961
tors. eta vs tors. theta energy: -51.897
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 246
Temperature: 1.100000
Total energy: -622.782389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -622.782389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -622.782389 (E_RNA)
where:
Base-Base interactions energy: -378.490
where: short stacking energy: -171.015
Base-Backbone interact. energy: 1.539
local terms energy: -245.830973
where:
bonds (distance) C4'-P energy: -71.197
bonds (distance) P-C4' energy: -50.920
flat angles C4'-P-C4' energy: -68.445
flat angles P-C4'-P energy: -24.038
tors. eta vs tors. theta energy: -31.231
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: 6
=====================================
Write number: 246
Temperature: 1.150000
Total energy: -518.901218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.901218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.901218 (E_RNA)
where:
Base-Base interactions energy: -262.841
where: short stacking energy: -141.249
Base-Backbone interact. energy: 1.502
local terms energy: -257.562288
where:
bonds (distance) C4'-P energy: -63.783
bonds (distance) P-C4' energy: -66.888
flat angles C4'-P-C4' energy: -62.344
flat angles P-C4'-P energy: -40.752
tors. eta vs tors. theta energy: -23.795
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: 246
Temperature: 1.200000
Total energy: -385.376566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -385.376566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -385.376566 (E_RNA)
where:
Base-Base interactions energy: -183.689
where: short stacking energy: -111.797
Base-Backbone interact. energy: 0.806
local terms energy: -202.492945
where:
bonds (distance) C4'-P energy: -67.138
bonds (distance) P-C4' energy: -60.677
flat angles C4'-P-C4' energy: -47.358
flat angles P-C4'-P energy: -32.309
tors. eta vs tors. theta energy: 4.989
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 246
Temperature: 1.250000
Total energy: -319.211426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.211426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.211426 (E_RNA)
where:
Base-Base interactions energy: -127.199
where: short stacking energy: -87.177
Base-Backbone interact. energy: -4.400
local terms energy: -187.612354
where:
bonds (distance) C4'-P energy: -48.261
bonds (distance) P-C4' energy: -66.551
flat angles C4'-P-C4' energy: -48.614
flat angles P-C4'-P energy: -32.343
tors. eta vs tors. theta energy: 8.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 246
Temperature: 1.300000
Total energy: -289.939186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.939186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.939186 (E_RNA)
where:
Base-Base interactions energy: -100.470
where: short stacking energy: -72.217
Base-Backbone interact. energy: -0.812
local terms energy: -188.656480
where:
bonds (distance) C4'-P energy: -43.785
bonds (distance) P-C4' energy: -71.108
flat angles C4'-P-C4' energy: -39.132
flat angles P-C4'-P energy: -38.751
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: 9
=====================================
Write number: 246
Temperature: 1.350000
Total energy: -277.529857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.529857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.529857 (E_RNA)
where:
Base-Base interactions energy: -98.020
where: short stacking energy: -74.755
Base-Backbone interact. energy: 0.647
local terms energy: -180.156557
where:
bonds (distance) C4'-P energy: -55.465
bonds (distance) P-C4' energy: -55.539
flat angles C4'-P-C4' energy: -35.660
flat angles P-C4'-P energy: -28.953
tors. eta vs tors. theta energy: -4.541
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 247
Temperature: 0.900000
Total energy: -1084.947168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1084.947168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1084.947168 (E_RNA)
where:
Base-Base interactions energy: -726.250
where: short stacking energy: -332.830
Base-Backbone interact. energy: -1.199
local terms energy: -357.497818
where:
bonds (distance) C4'-P energy: -65.315
bonds (distance) P-C4' energy: -69.199
flat angles C4'-P-C4' energy: -68.136
flat angles P-C4'-P energy: -44.479
tors. eta vs tors. theta energy: -110.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 247
Temperature: 0.950000
Total energy: -1091.265713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1091.265713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1091.265713 (E_RNA)
where:
Base-Base interactions energy: -718.835
where: short stacking energy: -327.279
Base-Backbone interact. energy: -2.449
local terms energy: -369.981472
where:
bonds (distance) C4'-P energy: -63.568
bonds (distance) P-C4' energy: -65.612
flat angles C4'-P-C4' energy: -74.638
flat angles P-C4'-P energy: -53.544
tors. eta vs tors. theta energy: -112.621
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 247
Temperature: 1.000000
Total energy: -973.507536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -973.507536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -973.507536 (E_RNA)
where:
Base-Base interactions energy: -629.702
where: short stacking energy: -285.684
Base-Backbone interact. energy: 1.334
local terms energy: -345.140112
where:
bonds (distance) C4'-P energy: -62.479
bonds (distance) P-C4' energy: -71.755
flat angles C4'-P-C4' energy: -68.308
flat angles P-C4'-P energy: -50.190
tors. eta vs tors. theta energy: -92.409
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: 3
=====================================
Write number: 247
Temperature: 1.050000
Total energy: -760.006994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -760.006994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -760.006994 (E_RNA)
where:
Base-Base interactions energy: -484.875
where: short stacking energy: -207.690
Base-Backbone interact. energy: -1.430
local terms energy: -273.702823
where:
bonds (distance) C4'-P energy: -50.763
bonds (distance) P-C4' energy: -64.063
flat angles C4'-P-C4' energy: -65.560
flat angles P-C4'-P energy: -42.773
tors. eta vs tors. theta energy: -50.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 247
Temperature: 1.100000
Total energy: -662.365272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -662.365272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -662.365272 (E_RNA)
where:
Base-Base interactions energy: -404.364
where: short stacking energy: -186.268
Base-Backbone interact. energy: 0.674
local terms energy: -258.675523
where:
bonds (distance) C4'-P energy: -58.918
bonds (distance) P-C4' energy: -63.062
flat angles C4'-P-C4' energy: -61.627
flat angles P-C4'-P energy: -44.314
tors. eta vs tors. theta energy: -30.755
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: 6
=====================================
Write number: 247
Temperature: 1.150000
Total energy: -539.558399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.558399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.558399 (E_RNA)
where:
Base-Base interactions energy: -285.309
where: short stacking energy: -150.960
Base-Backbone interact. energy: -1.492
local terms energy: -252.757072
where:
bonds (distance) C4'-P energy: -59.988
bonds (distance) P-C4' energy: -68.674
flat angles C4'-P-C4' energy: -59.348
flat angles P-C4'-P energy: -41.918
tors. eta vs tors. theta energy: -22.829
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: 7, replica: 8
=====================================
Write number: 247
Temperature: 1.200000
Total energy: -383.639543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -383.639543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -383.639543 (E_RNA)
where:
Base-Base interactions energy: -177.302
where: short stacking energy: -107.710
Base-Backbone interact. energy: -0.902
local terms energy: -205.435664
where:
bonds (distance) C4'-P energy: -60.877
bonds (distance) P-C4' energy: -53.667
flat angles C4'-P-C4' energy: -66.447
flat angles P-C4'-P energy: -22.137
tors. eta vs tors. theta energy: -2.308
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: 10
=====================================
Write number: 247
Temperature: 1.250000
Total energy: -311.965336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.965336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.965336 (E_RNA)
where:
Base-Base interactions energy: -113.908
where: short stacking energy: -92.630
Base-Backbone interact. energy: 6.133
local terms energy: -204.189919
where:
bonds (distance) C4'-P energy: -57.550
bonds (distance) P-C4' energy: -64.922
flat angles C4'-P-C4' energy: -60.983
flat angles P-C4'-P energy: -25.833
tors. eta vs tors. theta energy: 5.097
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 247
Temperature: 1.300000
Total energy: -331.667043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.667043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.667043 (E_RNA)
where:
Base-Base interactions energy: -116.565
where: short stacking energy: -89.027
Base-Backbone interact. energy: 4.087
local terms energy: -219.189500
where:
bonds (distance) C4'-P energy: -58.288
bonds (distance) P-C4' energy: -59.714
flat angles C4'-P-C4' energy: -63.972
flat angles P-C4'-P energy: -28.344
tors. eta vs tors. theta energy: -8.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 247
Temperature: 1.350000
Total energy: -272.608386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.608386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.608386 (E_RNA)
where:
Base-Base interactions energy: -103.855
where: short stacking energy: -73.773
Base-Backbone interact. energy: -0.683
local terms energy: -168.069895
where:
bonds (distance) C4'-P energy: -60.695
bonds (distance) P-C4' energy: -52.915
flat angles C4'-P-C4' energy: -46.475
flat angles P-C4'-P energy: -23.712
tors. eta vs tors. theta energy: 15.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 248
Temperature: 0.900000
Total energy: -1117.783418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1117.783418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1117.783418 (E_RNA)
where:
Base-Base interactions energy: -745.886
where: short stacking energy: -348.857
Base-Backbone interact. energy: -2.096
local terms energy: -369.802083
where:
bonds (distance) C4'-P energy: -68.370
bonds (distance) P-C4' energy: -58.515
flat angles C4'-P-C4' energy: -79.964
flat angles P-C4'-P energy: -49.624
tors. eta vs tors. theta energy: -113.328
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: 4
=====================================
Write number: 248
Temperature: 0.950000
Total energy: -1077.538932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1077.538932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1077.538932 (E_RNA)
where:
Base-Base interactions energy: -710.640
where: short stacking energy: -342.861
Base-Backbone interact. energy: 0.474
local terms energy: -367.372468
where:
bonds (distance) C4'-P energy: -62.915
bonds (distance) P-C4' energy: -68.982
flat angles C4'-P-C4' energy: -74.334
flat angles P-C4'-P energy: -48.036
tors. eta vs tors. theta energy: -113.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 248
Temperature: 1.000000
Total energy: -956.584665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -956.584665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -956.584665 (E_RNA)
where:
Base-Base interactions energy: -610.400
where: short stacking energy: -295.941
Base-Backbone interact. energy: -1.178
local terms energy: -345.006608
where:
bonds (distance) C4'-P energy: -59.602
bonds (distance) P-C4' energy: -75.116
flat angles C4'-P-C4' energy: -75.569
flat angles P-C4'-P energy: -50.075
tors. eta vs tors. theta energy: -84.643
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 248
Temperature: 1.050000
Total energy: -714.465020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -714.465020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -714.465020 (E_RNA)
where:
Base-Base interactions energy: -432.066
where: short stacking energy: -195.266
Base-Backbone interact. energy: -0.532
local terms energy: -281.866118
where:
bonds (distance) C4'-P energy: -63.593
bonds (distance) P-C4' energy: -76.925
flat angles C4'-P-C4' energy: -66.416
flat angles P-C4'-P energy: -35.565
tors. eta vs tors. theta energy: -39.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 248
Temperature: 1.100000
Total energy: -705.998403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -705.998403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -705.998403 (E_RNA)
where:
Base-Base interactions energy: -432.735
where: short stacking energy: -200.066
Base-Backbone interact. energy: -1.396
local terms energy: -271.867689
where:
bonds (distance) C4'-P energy: -55.147
bonds (distance) P-C4' energy: -71.008
flat angles C4'-P-C4' energy: -64.894
flat angles P-C4'-P energy: -30.024
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: 6, replica: 6
=====================================
Write number: 248
Temperature: 1.150000
Total energy: -537.187063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.187063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.187063 (E_RNA)
where:
Base-Base interactions energy: -296.957
where: short stacking energy: -158.342
Base-Backbone interact. energy: -0.917
local terms energy: -239.312999
where:
bonds (distance) C4'-P energy: -52.687
bonds (distance) P-C4' energy: -50.592
flat angles C4'-P-C4' energy: -67.410
flat angles P-C4'-P energy: -37.986
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: 7, replica: 8
=====================================
Write number: 248
Temperature: 1.200000
Total energy: -348.690562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.690562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.690562 (E_RNA)
where:
Base-Base interactions energy: -129.187
where: short stacking energy: -92.695
Base-Backbone interact. energy: -1.650
local terms energy: -217.854503
where:
bonds (distance) C4'-P energy: -62.132
bonds (distance) P-C4' energy: -60.425
flat angles C4'-P-C4' energy: -56.158
flat angles P-C4'-P energy: -35.596
tors. eta vs tors. theta energy: -3.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 248
Temperature: 1.250000
Total energy: -317.324113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.324113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.324113 (E_RNA)
where:
Base-Base interactions energy: -119.445
where: short stacking energy: -83.364
Base-Backbone interact. energy: -1.821
local terms energy: -196.057396
where:
bonds (distance) C4'-P energy: -56.527
bonds (distance) P-C4' energy: -75.070
flat angles C4'-P-C4' energy: -53.261
flat angles P-C4'-P energy: -27.779
tors. eta vs tors. theta energy: 16.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 248
Temperature: 1.300000
Total energy: -292.345466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.345466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.345466 (E_RNA)
where:
Base-Base interactions energy: -96.788
where: short stacking energy: -83.360
Base-Backbone interact. energy: 0.610
local terms energy: -196.167612
where:
bonds (distance) C4'-P energy: -55.311
bonds (distance) P-C4' energy: -62.241
flat angles C4'-P-C4' energy: -51.863
flat angles P-C4'-P energy: -34.026
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: 10, replica: 7
=====================================
Write number: 248
Temperature: 1.350000
Total energy: -274.538422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.538422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.538422 (E_RNA)
where:
Base-Base interactions energy: -76.888
where: short stacking energy: -55.397
Base-Backbone interact. energy: -1.315
local terms energy: -196.336203
where:
bonds (distance) C4'-P energy: -47.081
bonds (distance) P-C4' energy: -66.031
flat angles C4'-P-C4' energy: -59.791
flat angles P-C4'-P energy: -30.324
tors. eta vs tors. theta energy: 6.890
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: 1, replica: 1
=====================================
Write number: 249
Temperature: 0.900000
Total energy: -1109.605232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1109.605232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1109.605232 (E_RNA)
where:
Base-Base interactions energy: -724.211
where: short stacking energy: -324.266
Base-Backbone interact. energy: -2.071
local terms energy: -383.323010
where:
bonds (distance) C4'-P energy: -68.060
bonds (distance) P-C4' energy: -77.154
flat angles C4'-P-C4' energy: -77.525
flat angles P-C4'-P energy: -54.673
tors. eta vs tors. theta energy: -105.911
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 249
Temperature: 0.950000
Total energy: -1064.771890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1064.771890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1064.771890 (E_RNA)
where:
Base-Base interactions energy: -700.636
where: short stacking energy: -326.003
Base-Backbone interact. energy: -1.270
local terms energy: -362.866556
where:
bonds (distance) C4'-P energy: -64.886
bonds (distance) P-C4' energy: -66.755
flat angles C4'-P-C4' energy: -75.368
flat angles P-C4'-P energy: -46.087
tors. eta vs tors. theta energy: -109.770
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: 5
=====================================
Write number: 249
Temperature: 1.000000
Total energy: -970.970506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -970.970506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -970.970506 (E_RNA)
where:
Base-Base interactions energy: -618.599
where: short stacking energy: -297.363
Base-Backbone interact. energy: -1.134
local terms energy: -351.237063
where:
bonds (distance) C4'-P energy: -66.690
bonds (distance) P-C4' energy: -72.972
flat angles C4'-P-C4' energy: -74.617
flat angles P-C4'-P energy: -47.998
tors. eta vs tors. theta energy: -88.960
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: 4, replica: 2
=====================================
Write number: 249
Temperature: 1.050000
Total energy: -761.062502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -761.062502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -761.062502 (E_RNA)
where:
Base-Base interactions energy: -471.559
where: short stacking energy: -218.750
Base-Backbone interact. energy: -0.085
local terms energy: -289.419456
where:
bonds (distance) C4'-P energy: -53.221
bonds (distance) P-C4' energy: -61.013
flat angles C4'-P-C4' energy: -68.692
flat angles P-C4'-P energy: -39.363
tors. eta vs tors. theta energy: -67.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 249
Temperature: 1.100000
Total energy: -655.742457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -655.742457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -655.742457 (E_RNA)
where:
Base-Base interactions energy: -379.161
where: short stacking energy: -184.658
Base-Backbone interact. energy: -1.464
local terms energy: -275.118065
where:
bonds (distance) C4'-P energy: -61.004
bonds (distance) P-C4' energy: -63.255
flat angles C4'-P-C4' energy: -65.922
flat angles P-C4'-P energy: -42.492
tors. eta vs tors. theta energy: -42.446
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 249
Temperature: 1.150000
Total energy: -594.167855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -594.167855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -594.167855 (E_RNA)
where:
Base-Base interactions energy: -331.184
where: short stacking energy: -163.480
Base-Backbone interact. energy: -2.279
local terms energy: -260.704749
where:
bonds (distance) C4'-P energy: -71.949
bonds (distance) P-C4' energy: -56.383
flat angles C4'-P-C4' energy: -60.932
flat angles P-C4'-P energy: -31.837
tors. eta vs tors. theta energy: -39.604
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 249
Temperature: 1.200000
Total energy: -357.684384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.684384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.684384 (E_RNA)
where:
Base-Base interactions energy: -155.069
where: short stacking energy: -123.148
Base-Backbone interact. energy: -1.030
local terms energy: -201.585724
where:
bonds (distance) C4'-P energy: -50.707
bonds (distance) P-C4' energy: -62.566
flat angles C4'-P-C4' energy: -51.556
flat angles P-C4'-P energy: -31.764
tors. eta vs tors. theta energy: -4.992
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: 9
=====================================
Write number: 249
Temperature: 1.250000
Total energy: -325.698518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.698518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.698518 (E_RNA)
where:
Base-Base interactions energy: -122.216
where: short stacking energy: -91.851
Base-Backbone interact. energy: 2.658
local terms energy: -206.141054
where:
bonds (distance) C4'-P energy: -66.311
bonds (distance) P-C4' energy: -64.168
flat angles C4'-P-C4' energy: -44.716
flat angles P-C4'-P energy: -35.727
tors. eta vs tors. theta energy: 4.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 249
Temperature: 1.300000
Total energy: -308.546308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.546308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.546308 (E_RNA)
where:
Base-Base interactions energy: -127.810
where: short stacking energy: -82.782
Base-Backbone interact. energy: -1.335
local terms energy: -179.401360
where:
bonds (distance) C4'-P energy: -48.303
bonds (distance) P-C4' energy: -53.420
flat angles C4'-P-C4' energy: -48.439
flat angles P-C4'-P energy: -38.283
tors. eta vs tors. theta energy: 9.044
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: 7
=====================================
Write number: 249
Temperature: 1.350000
Total energy: -289.854122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.854122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.854122 (E_RNA)
where:
Base-Base interactions energy: -110.459
where: short stacking energy: -85.370
Base-Backbone interact. energy: 3.196
local terms energy: -182.590844
where:
bonds (distance) C4'-P energy: -62.244
bonds (distance) P-C4' energy: -51.256
flat angles C4'-P-C4' energy: -46.803
flat angles P-C4'-P energy: -31.136
tors. eta vs tors. theta energy: 8.849
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: 1, replica: 4
=====================================
Write number: 250
Temperature: 0.900000
Total energy: -1102.267786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1102.267786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1102.267786 (E_RNA)
where:
Base-Base interactions energy: -731.761
where: short stacking energy: -335.217
Base-Backbone interact. energy: -2.057
local terms energy: -368.449766
where:
bonds (distance) C4'-P energy: -71.990
bonds (distance) P-C4' energy: -63.700
flat angles C4'-P-C4' energy: -75.976
flat angles P-C4'-P energy: -47.211
tors. eta vs tors. theta energy: -109.573
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 250
Temperature: 0.950000
Total energy: -1061.918626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1061.918626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1061.918626 (E_RNA)
where:
Base-Base interactions energy: -709.795
where: short stacking energy: -335.771
Base-Backbone interact. energy: 1.245
local terms energy: -353.368081
where:
bonds (distance) C4'-P energy: -55.128
bonds (distance) P-C4' energy: -65.303
flat angles C4'-P-C4' energy: -80.975
flat angles P-C4'-P energy: -42.630
tors. eta vs tors. theta energy: -109.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 250
Temperature: 1.000000
Total energy: -947.842327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -947.842327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -947.842327 (E_RNA)
where:
Base-Base interactions energy: -609.540
where: short stacking energy: -300.135
Base-Backbone interact. energy: -1.445
local terms energy: -336.857269
where:
bonds (distance) C4'-P energy: -64.264
bonds (distance) P-C4' energy: -75.583
flat angles C4'-P-C4' energy: -71.177
flat angles P-C4'-P energy: -41.173
tors. eta vs tors. theta energy: -84.659
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: 4, replica: 2
=====================================
Write number: 250
Temperature: 1.050000
Total energy: -761.766007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -761.766007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -761.766007 (E_RNA)
where:
Base-Base interactions energy: -442.946
where: short stacking energy: -215.329
Base-Backbone interact. energy: 0.469
local terms energy: -319.289277
where:
bonds (distance) C4'-P energy: -71.507
bonds (distance) P-C4' energy: -67.590
flat angles C4'-P-C4' energy: -64.228
flat angles P-C4'-P energy: -54.397
tors. eta vs tors. theta energy: -61.568
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: 6
=====================================
Write number: 250
Temperature: 1.100000
Total energy: -646.725180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -646.725180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -646.725180 (E_RNA)
where:
Base-Base interactions energy: -372.153
where: short stacking energy: -175.251
Base-Backbone interact. energy: -1.413
local terms energy: -273.159451
where:
bonds (distance) C4'-P energy: -64.980
bonds (distance) P-C4' energy: -69.778
flat angles C4'-P-C4' energy: -62.006
flat angles P-C4'-P energy: -38.810
tors. eta vs tors. theta energy: -37.584
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: 6, replica: 3
=====================================
Write number: 250
Temperature: 1.150000
Total energy: -614.128737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -614.128737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -614.128737 (E_RNA)
where:
Base-Base interactions energy: -372.664
where: short stacking energy: -147.370
Base-Backbone interact. energy: -1.681
local terms energy: -239.783467
where:
bonds (distance) C4'-P energy: -57.470
bonds (distance) P-C4' energy: -61.076
flat angles C4'-P-C4' energy: -48.936
flat angles P-C4'-P energy: -34.294
tors. eta vs tors. theta energy: -38.008
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: 8
=====================================
Write number: 250
Temperature: 1.200000
Total energy: -337.297562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.297562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.297562 (E_RNA)
where:
Base-Base interactions energy: -100.929
where: short stacking energy: -93.429
Base-Backbone interact. energy: -1.939
local terms energy: -234.429208
where:
bonds (distance) C4'-P energy: -70.067
bonds (distance) P-C4' energy: -61.537
flat angles C4'-P-C4' energy: -62.085
flat angles P-C4'-P energy: -38.324
tors. eta vs tors. theta energy: -2.416
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 250
Temperature: 1.250000
Total energy: -304.320812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.320812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.320812 (E_RNA)
where:
Base-Base interactions energy: -87.722
where: short stacking energy: -76.258
Base-Backbone interact. energy: -2.099
local terms energy: -214.499484
where:
bonds (distance) C4'-P energy: -66.242
bonds (distance) P-C4' energy: -61.076
flat angles C4'-P-C4' energy: -56.698
flat angles P-C4'-P energy: -35.410
tors. eta vs tors. theta energy: 4.927
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: 7
=====================================
Write number: 250
Temperature: 1.300000
Total energy: -278.304443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.304443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.304443 (E_RNA)
where:
Base-Base interactions energy: -82.751
where: short stacking energy: -66.211
Base-Backbone interact. energy: -0.874
local terms energy: -194.680266
where:
bonds (distance) C4'-P energy: -62.437
bonds (distance) P-C4' energy: -62.927
flat angles C4'-P-C4' energy: -49.513
flat angles P-C4'-P energy: -26.301
tors. eta vs tors. theta energy: 6.498
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 250
Temperature: 1.350000
Total energy: -268.852398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.852398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.852398 (E_RNA)
where:
Base-Base interactions energy: -92.994
where: short stacking energy: -64.999
Base-Backbone interact. energy: -0.244
local terms energy: -175.614433
where:
bonds (distance) C4'-P energy: -51.247
bonds (distance) P-C4' energy: -55.875
flat angles C4'-P-C4' energy: -57.360
flat angles P-C4'-P energy: -27.844
tors. eta vs tors. theta energy: 16.712
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 251
Temperature: 0.900000
Total energy: -1111.864596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1111.864596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1111.864596 (E_RNA)
where:
Base-Base interactions energy: -731.480
where: short stacking energy: -329.993
Base-Backbone interact. energy: 1.214
local terms energy: -381.598963
where:
bonds (distance) C4'-P energy: -62.929
bonds (distance) P-C4' energy: -72.095
flat angles C4'-P-C4' energy: -78.541
flat angles P-C4'-P energy: -54.998
tors. eta vs tors. theta energy: -113.036
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: 251
Temperature: 0.950000
Total energy: -1061.766251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1061.766251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1061.766251 (E_RNA)
where:
Base-Base interactions energy: -700.610
where: short stacking energy: -323.549
Base-Backbone interact. energy: -0.863
local terms energy: -360.292734
where:
bonds (distance) C4'-P energy: -65.456
bonds (distance) P-C4' energy: -70.887
flat angles C4'-P-C4' energy: -78.626
flat angles P-C4'-P energy: -44.570
tors. eta vs tors. theta energy: -100.753
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: 3, replica: 5
=====================================
Write number: 251
Temperature: 1.000000
Total energy: -946.136547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -946.136547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -946.136547 (E_RNA)
where:
Base-Base interactions energy: -616.787
where: short stacking energy: -300.896
Base-Backbone interact. energy: 0.405
local terms energy: -329.754608
where:
bonds (distance) C4'-P energy: -77.141
bonds (distance) P-C4' energy: -59.355
flat angles C4'-P-C4' energy: -63.608
flat angles P-C4'-P energy: -41.496
tors. eta vs tors. theta energy: -88.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 251
Temperature: 1.050000
Total energy: -733.502963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -733.502963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -733.502963 (E_RNA)
where:
Base-Base interactions energy: -426.969
where: short stacking energy: -221.147
Base-Backbone interact. energy: 2.510
local terms energy: -309.043918
where:
bonds (distance) C4'-P energy: -64.952
bonds (distance) P-C4' energy: -57.574
flat angles C4'-P-C4' energy: -71.338
flat angles P-C4'-P energy: -47.849
tors. eta vs tors. theta energy: -67.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 251
Temperature: 1.100000
Total energy: -620.307329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -620.307329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -620.307329 (E_RNA)
where:
Base-Base interactions energy: -355.789
where: short stacking energy: -179.479
Base-Backbone interact. energy: 2.897
local terms energy: -267.415410
where:
bonds (distance) C4'-P energy: -55.639
bonds (distance) P-C4' energy: -75.463
flat angles C4'-P-C4' energy: -60.360
flat angles P-C4'-P energy: -42.339
tors. eta vs tors. theta energy: -33.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 251
Temperature: 1.150000
Total energy: -551.449489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.449489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.449489 (E_RNA)
where:
Base-Base interactions energy: -292.591
where: short stacking energy: -153.886
Base-Backbone interact. energy: -0.525
local terms energy: -258.333880
where:
bonds (distance) C4'-P energy: -59.102
bonds (distance) P-C4' energy: -58.993
flat angles C4'-P-C4' energy: -62.871
flat angles P-C4'-P energy: -35.042
tors. eta vs tors. theta energy: -42.326
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: 8
=====================================
Write number: 251
Temperature: 1.200000
Total energy: -348.800782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.800782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.800782 (E_RNA)
where:
Base-Base interactions energy: -115.484
where: short stacking energy: -105.128
Base-Backbone interact. energy: -1.138
local terms energy: -232.178687
where:
bonds (distance) C4'-P energy: -62.634
bonds (distance) P-C4' energy: -65.040
flat angles C4'-P-C4' energy: -54.725
flat angles P-C4'-P energy: -43.499
tors. eta vs tors. theta energy: -6.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 251
Temperature: 1.250000
Total energy: -320.854389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.854389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.854389 (E_RNA)
where:
Base-Base interactions energy: -105.794
where: short stacking energy: -88.380
Base-Backbone interact. energy: -0.171
local terms energy: -214.890075
where:
bonds (distance) C4'-P energy: -66.654
bonds (distance) P-C4' energy: -63.992
flat angles C4'-P-C4' energy: -58.298
flat angles P-C4'-P energy: -22.516
tors. eta vs tors. theta energy: -3.430
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 251
Temperature: 1.300000
Total energy: -294.672660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.672660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.672660 (E_RNA)
where:
Base-Base interactions energy: -95.584
where: short stacking energy: -76.109
Base-Backbone interact. energy: -0.836
local terms energy: -198.252595
where:
bonds (distance) C4'-P energy: -56.854
bonds (distance) P-C4' energy: -62.191
flat angles C4'-P-C4' energy: -52.196
flat angles P-C4'-P energy: -29.993
tors. eta vs tors. theta energy: 2.981
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: 251
Temperature: 1.350000
Total energy: -267.612493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.612493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.612493 (E_RNA)
where:
Base-Base interactions energy: -79.452
where: short stacking energy: -56.359
Base-Backbone interact. energy: -0.264
local terms energy: -187.896981
where:
bonds (distance) C4'-P energy: -46.619
bonds (distance) P-C4' energy: -63.812
flat angles C4'-P-C4' energy: -50.034
flat angles P-C4'-P energy: -32.454
tors. eta vs tors. theta energy: 5.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 252
Temperature: 0.900000
Total energy: -1074.970349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1074.970349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1074.970349 (E_RNA)
where:
Base-Base interactions energy: -686.031
where: short stacking energy: -324.882
Base-Backbone interact. energy: -0.715
local terms energy: -388.224299
where:
bonds (distance) C4'-P energy: -74.539
bonds (distance) P-C4' energy: -70.597
flat angles C4'-P-C4' energy: -80.337
flat angles P-C4'-P energy: -55.307
tors. eta vs tors. theta energy: -107.444
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: 1
=====================================
Write number: 252
Temperature: 0.950000
Total energy: -1068.189630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1068.189630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1068.189630 (E_RNA)
where:
Base-Base interactions energy: -704.206
where: short stacking energy: -304.955
Base-Backbone interact. energy: -1.873
local terms energy: -362.110586
where:
bonds (distance) C4'-P energy: -63.953
bonds (distance) P-C4' energy: -69.152
flat angles C4'-P-C4' energy: -74.785
flat angles P-C4'-P energy: -45.610
tors. eta vs tors. theta energy: -108.611
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: 3, replica: 5
=====================================
Write number: 252
Temperature: 1.000000
Total energy: -967.216191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -967.216191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -967.216191 (E_RNA)
where:
Base-Base interactions energy: -627.458
where: short stacking energy: -301.563
Base-Backbone interact. energy: -0.692
local terms energy: -339.065744
where:
bonds (distance) C4'-P energy: -60.878
bonds (distance) P-C4' energy: -68.129
flat angles C4'-P-C4' energy: -76.904
flat angles P-C4'-P energy: -47.686
tors. eta vs tors. theta energy: -85.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 252
Temperature: 1.050000
Total energy: -717.607792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -717.607792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -717.607792 (E_RNA)
where:
Base-Base interactions energy: -427.013
where: short stacking energy: -217.533
Base-Backbone interact. energy: -0.775
local terms energy: -289.820188
where:
bonds (distance) C4'-P energy: -63.074
bonds (distance) P-C4' energy: -62.603
flat angles C4'-P-C4' energy: -66.995
flat angles P-C4'-P energy: -46.598
tors. eta vs tors. theta energy: -50.550
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 252
Temperature: 1.100000
Total energy: -610.631338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -610.631338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -610.631338 (E_RNA)
where:
Base-Base interactions energy: -341.253
where: short stacking energy: -171.050
Base-Backbone interact. energy: -1.203
local terms energy: -268.175783
where:
bonds (distance) C4'-P energy: -68.630
bonds (distance) P-C4' energy: -69.670
flat angles C4'-P-C4' energy: -63.392
flat angles P-C4'-P energy: -29.531
tors. eta vs tors. theta energy: -36.953
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 252
Temperature: 1.150000
Total energy: -561.652093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -561.652093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -561.652093 (E_RNA)
where:
Base-Base interactions energy: -298.626
where: short stacking energy: -142.693
Base-Backbone interact. energy: -2.315
local terms energy: -260.711171
where:
bonds (distance) C4'-P energy: -66.337
bonds (distance) P-C4' energy: -70.911
flat angles C4'-P-C4' energy: -63.720
flat angles P-C4'-P energy: -34.151
tors. eta vs tors. theta energy: -25.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 252
Temperature: 1.200000
Total energy: -372.144861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -372.144861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -372.144861 (E_RNA)
where:
Base-Base interactions energy: -156.599
where: short stacking energy: -121.030
Base-Backbone interact. energy: 0.318
local terms energy: -215.863637
where:
bonds (distance) C4'-P energy: -54.983
bonds (distance) P-C4' energy: -61.887
flat angles C4'-P-C4' energy: -51.836
flat angles P-C4'-P energy: -41.541
tors. eta vs tors. theta energy: -5.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 252
Temperature: 1.250000
Total energy: -313.094915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.094915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.094915 (E_RNA)
where:
Base-Base interactions energy: -120.385
where: short stacking energy: -86.725
Base-Backbone interact. energy: -0.101
local terms energy: -192.608578
where:
bonds (distance) C4'-P energy: -52.954
bonds (distance) P-C4' energy: -61.229
flat angles C4'-P-C4' energy: -62.655
flat angles P-C4'-P energy: -26.740
tors. eta vs tors. theta energy: 10.970
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: 10
=====================================
Write number: 252
Temperature: 1.300000
Total energy: -301.049853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.049853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.049853 (E_RNA)
where:
Base-Base interactions energy: -113.908
where: short stacking energy: -78.080
Base-Backbone interact. energy: -2.548
local terms energy: -184.593584
where:
bonds (distance) C4'-P energy: -51.667
bonds (distance) P-C4' energy: -50.922
flat angles C4'-P-C4' energy: -51.745
flat angles P-C4'-P energy: -40.237
tors. eta vs tors. theta energy: 9.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 252
Temperature: 1.350000
Total energy: -299.047466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.047466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.047466 (E_RNA)
where:
Base-Base interactions energy: -114.382
where: short stacking energy: -82.949
Base-Backbone interact. energy: 0.543
local terms energy: -185.208230
where:
bonds (distance) C4'-P energy: -53.277
bonds (distance) P-C4' energy: -63.011
flat angles C4'-P-C4' energy: -59.607
flat angles P-C4'-P energy: -13.580
tors. eta vs tors. theta energy: 4.267
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: 1, replica: 4
=====================================
Write number: 253
Temperature: 0.900000
Total energy: -1077.363568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1077.363568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1077.363568 (E_RNA)
where:
Base-Base interactions energy: -696.918
where: short stacking energy: -338.496
Base-Backbone interact. energy: -0.502
local terms energy: -379.943089
where:
bonds (distance) C4'-P energy: -72.927
bonds (distance) P-C4' energy: -68.231
flat angles C4'-P-C4' energy: -74.585
flat angles P-C4'-P energy: -50.276
tors. eta vs tors. theta energy: -113.923
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: 1
=====================================
Write number: 253
Temperature: 0.950000
Total energy: -1047.428220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1047.428220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1047.428220 (E_RNA)
where:
Base-Base interactions energy: -684.665
where: short stacking energy: -322.566
Base-Backbone interact. energy: -3.149
local terms energy: -359.614528
where:
bonds (distance) C4'-P energy: -70.759
bonds (distance) P-C4' energy: -57.629
flat angles C4'-P-C4' energy: -79.843
flat angles P-C4'-P energy: -47.092
tors. eta vs tors. theta energy: -104.291
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 253
Temperature: 1.000000
Total energy: -988.494329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -988.494329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -988.494329 (E_RNA)
where:
Base-Base interactions energy: -648.987
where: short stacking energy: -312.952
Base-Backbone interact. energy: 0.042
local terms energy: -339.548880
where:
bonds (distance) C4'-P energy: -66.055
bonds (distance) P-C4' energy: -67.687
flat angles C4'-P-C4' energy: -68.696
flat angles P-C4'-P energy: -42.737
tors. eta vs tors. theta energy: -94.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 253
Temperature: 1.050000
Total energy: -680.324096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -680.324096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -680.324096 (E_RNA)
where:
Base-Base interactions energy: -408.891
where: short stacking energy: -201.525
Base-Backbone interact. energy: -1.941
local terms energy: -269.491894
where:
bonds (distance) C4'-P energy: -52.694
bonds (distance) P-C4' energy: -66.020
flat angles C4'-P-C4' energy: -61.766
flat angles P-C4'-P energy: -45.716
tors. eta vs tors. theta energy: -43.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 253
Temperature: 1.100000
Total energy: -726.112755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -726.112755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -726.112755 (E_RNA)
where:
Base-Base interactions energy: -419.835
where: short stacking energy: -189.263
Base-Backbone interact. energy: -1.654
local terms energy: -304.624298
where:
bonds (distance) C4'-P energy: -70.131
bonds (distance) P-C4' energy: -65.854
flat angles C4'-P-C4' energy: -65.881
flat angles P-C4'-P energy: -47.758
tors. eta vs tors. theta energy: -55.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 253
Temperature: 1.150000
Total energy: -577.397700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -577.397700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -577.397700 (E_RNA)
where:
Base-Base interactions energy: -311.328
where: short stacking energy: -171.258
Base-Backbone interact. energy: 1.480
local terms energy: -267.549760
where:
bonds (distance) C4'-P energy: -67.391
bonds (distance) P-C4' energy: -67.335
flat angles C4'-P-C4' energy: -67.826
flat angles P-C4'-P energy: -41.790
tors. eta vs tors. theta energy: -23.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 253
Temperature: 1.200000
Total energy: -333.537601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.537601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.537601 (E_RNA)
where:
Base-Base interactions energy: -128.741
where: short stacking energy: -99.236
Base-Backbone interact. energy: -0.592
local terms energy: -204.204317
where:
bonds (distance) C4'-P energy: -62.278
bonds (distance) P-C4' energy: -66.946
flat angles C4'-P-C4' energy: -52.550
flat angles P-C4'-P energy: -21.127
tors. eta vs tors. theta energy: -1.303
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 253
Temperature: 1.250000
Total energy: -301.019329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.019329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.019329 (E_RNA)
where:
Base-Base interactions energy: -103.705
where: short stacking energy: -95.075
Base-Backbone interact. energy: -1.450
local terms energy: -195.864258
where:
bonds (distance) C4'-P energy: -51.441
bonds (distance) P-C4' energy: -68.631
flat angles C4'-P-C4' energy: -56.335
flat angles P-C4'-P energy: -29.016
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: 9, replica: 8
=====================================
Write number: 253
Temperature: 1.300000
Total energy: -317.101873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.101873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.101873 (E_RNA)
where:
Base-Base interactions energy: -124.581
where: short stacking energy: -99.134
Base-Backbone interact. energy: -0.583
local terms energy: -191.937995
where:
bonds (distance) C4'-P energy: -56.070
bonds (distance) P-C4' energy: -61.310
flat angles C4'-P-C4' energy: -53.080
flat angles P-C4'-P energy: -21.823
tors. eta vs tors. theta energy: 0.346
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: 10, replica: 9
=====================================
Write number: 253
Temperature: 1.350000
Total energy: -276.003417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.003417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.003417 (E_RNA)
where:
Base-Base interactions energy: -100.667
where: short stacking energy: -79.970
Base-Backbone interact. energy: 1.800
local terms energy: -177.136618
where:
bonds (distance) C4'-P energy: -40.169
bonds (distance) P-C4' energy: -63.602
flat angles C4'-P-C4' energy: -37.130
flat angles P-C4'-P energy: -41.961
tors. eta vs tors. theta energy: 5.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 254
Temperature: 0.900000
Total energy: -1094.923197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1094.923197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1094.923197 (E_RNA)
where:
Base-Base interactions energy: -716.183
where: short stacking energy: -318.738
Base-Backbone interact. energy: -1.632
local terms energy: -377.108600
where:
bonds (distance) C4'-P energy: -68.132
bonds (distance) P-C4' energy: -68.343
flat angles C4'-P-C4' energy: -72.330
flat angles P-C4'-P energy: -55.505
tors. eta vs tors. theta energy: -112.799
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 254
Temperature: 0.950000
Total energy: -1062.867014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1062.867014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1062.867014 (E_RNA)
where:
Base-Base interactions energy: -690.698
where: short stacking energy: -321.567
Base-Backbone interact. energy: -1.355
local terms energy: -370.813614
where:
bonds (distance) C4'-P energy: -67.515
bonds (distance) P-C4' energy: -66.223
flat angles C4'-P-C4' energy: -78.144
flat angles P-C4'-P energy: -54.472
tors. eta vs tors. theta energy: -104.459
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: 254
Temperature: 1.000000
Total energy: -979.029347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -979.029347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -979.029347 (E_RNA)
where:
Base-Base interactions energy: -638.338
where: short stacking energy: -294.674
Base-Backbone interact. energy: -1.010
local terms energy: -339.681031
where:
bonds (distance) C4'-P energy: -57.506
bonds (distance) P-C4' energy: -61.901
flat angles C4'-P-C4' energy: -78.519
flat angles P-C4'-P energy: -51.046
tors. eta vs tors. theta energy: -90.708
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: 254
Temperature: 1.050000
Total energy: -781.788821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -781.788821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -781.788821 (E_RNA)
where:
Base-Base interactions energy: -489.106
where: short stacking energy: -226.305
Base-Backbone interact. energy: -1.177
local terms energy: -291.506248
where:
bonds (distance) C4'-P energy: -58.360
bonds (distance) P-C4' energy: -59.110
flat angles C4'-P-C4' energy: -66.187
flat angles P-C4'-P energy: -45.763
tors. eta vs tors. theta energy: -62.087
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: 2
=====================================
Write number: 254
Temperature: 1.100000
Total energy: -706.548121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -706.548121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -706.548121 (E_RNA)
where:
Base-Base interactions energy: -415.576
where: short stacking energy: -188.906
Base-Backbone interact. energy: -1.405
local terms energy: -289.566562
where:
bonds (distance) C4'-P energy: -65.584
bonds (distance) P-C4' energy: -65.506
flat angles C4'-P-C4' energy: -65.422
flat angles P-C4'-P energy: -47.111
tors. eta vs tors. theta energy: -45.943
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 254
Temperature: 1.150000
Total energy: -596.225676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -596.225676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -596.225676 (E_RNA)
where:
Base-Base interactions energy: -342.025
where: short stacking energy: -167.943
Base-Backbone interact. energy: -2.173
local terms energy: -252.027675
where:
bonds (distance) C4'-P energy: -63.810
bonds (distance) P-C4' energy: -64.850
flat angles C4'-P-C4' energy: -58.327
flat angles P-C4'-P energy: -39.085
tors. eta vs tors. theta energy: -25.956
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 254
Temperature: 1.200000
Total energy: -348.460961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.460961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.460961 (E_RNA)
where:
Base-Base interactions energy: -123.149
where: short stacking energy: -103.573
Base-Backbone interact. energy: 3.340
local terms energy: -228.651987
where:
bonds (distance) C4'-P energy: -57.333
bonds (distance) P-C4' energy: -72.589
flat angles C4'-P-C4' energy: -55.623
flat angles P-C4'-P energy: -38.454
tors. eta vs tors. theta energy: -4.654
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 254
Temperature: 1.250000
Total energy: -322.178478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.178478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.178478 (E_RNA)
where:
Base-Base interactions energy: -107.818
where: short stacking energy: -69.947
Base-Backbone interact. energy: -2.836
local terms energy: -211.523845
where:
bonds (distance) C4'-P energy: -50.845
bonds (distance) P-C4' energy: -61.783
flat angles C4'-P-C4' energy: -66.014
flat angles P-C4'-P energy: -39.552
tors. eta vs tors. theta energy: 6.670
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 254
Temperature: 1.300000
Total energy: -280.123717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.123717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.123717 (E_RNA)
where:
Base-Base interactions energy: -94.159
where: short stacking energy: -83.359
Base-Backbone interact. energy: 4.534
local terms energy: -190.499106
where:
bonds (distance) C4'-P energy: -58.291
bonds (distance) P-C4' energy: -57.674
flat angles C4'-P-C4' energy: -57.343
flat angles P-C4'-P energy: -28.075
tors. eta vs tors. theta energy: 10.884
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 254
Temperature: 1.350000
Total energy: -283.326769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.326769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.326769 (E_RNA)
where:
Base-Base interactions energy: -105.350
where: short stacking energy: -85.851
Base-Backbone interact. energy: 2.015
local terms energy: -179.992477
where:
bonds (distance) C4'-P energy: -57.485
bonds (distance) P-C4' energy: -58.563
flat angles C4'-P-C4' energy: -45.350
flat angles P-C4'-P energy: -25.736
tors. eta vs tors. theta energy: 7.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 255
Temperature: 0.900000
Total energy: -1077.959792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1077.959792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1077.959792 (E_RNA)
where:
Base-Base interactions energy: -702.786
where: short stacking energy: -321.777
Base-Backbone interact. energy: -0.633
local terms energy: -374.540116
where:
bonds (distance) C4'-P energy: -71.428
bonds (distance) P-C4' energy: -68.061
flat angles C4'-P-C4' energy: -70.926
flat angles P-C4'-P energy: -50.425
tors. eta vs tors. theta energy: -113.700
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 255
Temperature: 0.950000
Total energy: -1061.234540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1061.234540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1061.234540 (E_RNA)
where:
Base-Base interactions energy: -698.653
where: short stacking energy: -291.584
Base-Backbone interact. energy: -1.480
local terms energy: -361.101873
where:
bonds (distance) C4'-P energy: -69.567
bonds (distance) P-C4' energy: -65.105
flat angles C4'-P-C4' energy: -80.591
flat angles P-C4'-P energy: -41.196
tors. eta vs tors. theta energy: -104.643
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: 5
=====================================
Write number: 255
Temperature: 1.000000
Total energy: -978.327032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -978.327032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -978.327032 (E_RNA)
where:
Base-Base interactions energy: -623.064
where: short stacking energy: -297.381
Base-Backbone interact. energy: -0.632
local terms energy: -354.631507
where:
bonds (distance) C4'-P energy: -64.516
bonds (distance) P-C4' energy: -70.527
flat angles C4'-P-C4' energy: -75.738
flat angles P-C4'-P energy: -50.326
tors. eta vs tors. theta energy: -93.525
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: 255
Temperature: 1.050000
Total energy: -772.433678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -772.433678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -772.433678 (E_RNA)
where:
Base-Base interactions energy: -484.182
where: short stacking energy: -222.742
Base-Backbone interact. energy: -0.520
local terms energy: -287.731423
where:
bonds (distance) C4'-P energy: -63.642
bonds (distance) P-C4' energy: -61.410
flat angles C4'-P-C4' energy: -60.980
flat angles P-C4'-P energy: -34.707
tors. eta vs tors. theta energy: -66.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 255
Temperature: 1.100000
Total energy: -641.365915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -641.365915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -641.365915 (E_RNA)
where:
Base-Base interactions energy: -387.621
where: short stacking energy: -184.543
Base-Backbone interact. energy: -0.728
local terms energy: -253.016734
where:
bonds (distance) C4'-P energy: -56.246
bonds (distance) P-C4' energy: -49.127
flat angles C4'-P-C4' energy: -62.471
flat angles P-C4'-P energy: -33.918
tors. eta vs tors. theta energy: -51.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 255
Temperature: 1.150000
Total energy: -586.510633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -586.510633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -586.510633 (E_RNA)
where:
Base-Base interactions energy: -347.512
where: short stacking energy: -182.576
Base-Backbone interact. energy: 0.083
local terms energy: -239.081532
where:
bonds (distance) C4'-P energy: -57.867
bonds (distance) P-C4' energy: -67.307
flat angles C4'-P-C4' energy: -51.394
flat angles P-C4'-P energy: -29.172
tors. eta vs tors. theta energy: -33.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 255
Temperature: 1.200000
Total energy: -365.514631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.514631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.514631 (E_RNA)
where:
Base-Base interactions energy: -151.674
where: short stacking energy: -109.293
Base-Backbone interact. energy: -3.237
local terms energy: -210.603857
where:
bonds (distance) C4'-P energy: -44.771
bonds (distance) P-C4' energy: -56.994
flat angles C4'-P-C4' energy: -64.082
flat angles P-C4'-P energy: -40.868
tors. eta vs tors. theta energy: -3.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 255
Temperature: 1.250000
Total energy: -345.535865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.535865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.535865 (E_RNA)
where:
Base-Base interactions energy: -145.091
where: short stacking energy: -106.110
Base-Backbone interact. energy: 2.238
local terms energy: -202.683420
where:
bonds (distance) C4'-P energy: -58.309
bonds (distance) P-C4' energy: -72.500
flat angles C4'-P-C4' energy: -46.036
flat angles P-C4'-P energy: -30.669
tors. eta vs tors. theta energy: 4.829
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: 9, replica: 9
=====================================
Write number: 255
Temperature: 1.300000
Total energy: -285.559839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.559839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.559839 (E_RNA)
where:
Base-Base interactions energy: -82.861
where: short stacking energy: -65.475
Base-Backbone interact. energy: -2.582
local terms energy: -200.117198
where:
bonds (distance) C4'-P energy: -67.433
bonds (distance) P-C4' energy: -59.379
flat angles C4'-P-C4' energy: -49.644
flat angles P-C4'-P energy: -40.542
tors. eta vs tors. theta energy: 16.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 255
Temperature: 1.350000
Total energy: -299.718504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.718504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.718504 (E_RNA)
where:
Base-Base interactions energy: -102.176
where: short stacking energy: -69.072
Base-Backbone interact. energy: 0.616
local terms energy: -198.158750
where:
bonds (distance) C4'-P energy: -59.211
bonds (distance) P-C4' energy: -71.239
flat angles C4'-P-C4' energy: -47.663
flat angles P-C4'-P energy: -31.276
tors. eta vs tors. theta energy: 11.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 256
Temperature: 0.900000
Total energy: -1071.589173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1071.589173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1071.589173 (E_RNA)
where:
Base-Base interactions energy: -721.532
where: short stacking energy: -322.657
Base-Backbone interact. energy: 1.561
local terms energy: -351.618125
where:
bonds (distance) C4'-P energy: -66.809
bonds (distance) P-C4' energy: -69.147
flat angles C4'-P-C4' energy: -72.244
flat angles P-C4'-P energy: -40.168
tors. eta vs tors. theta energy: -103.250
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 256
Temperature: 0.950000
Total energy: -1054.589146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1054.589146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1054.589146 (E_RNA)
where:
Base-Base interactions energy: -692.552
where: short stacking energy: -295.734
Base-Backbone interact. energy: 1.002
local terms energy: -363.039363
where:
bonds (distance) C4'-P energy: -60.283
bonds (distance) P-C4' energy: -76.350
flat angles C4'-P-C4' energy: -69.229
flat angles P-C4'-P energy: -55.278
tors. eta vs tors. theta energy: -101.899
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 256
Temperature: 1.000000
Total energy: -927.822655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -927.822655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -927.822655 (E_RNA)
where:
Base-Base interactions energy: -578.273
where: short stacking energy: -249.340
Base-Backbone interact. energy: -0.679
local terms energy: -348.871208
where:
bonds (distance) C4'-P energy: -70.493
bonds (distance) P-C4' energy: -71.170
flat angles C4'-P-C4' energy: -72.715
flat angles P-C4'-P energy: -54.917
tors. eta vs tors. theta energy: -79.576
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 256
Temperature: 1.050000
Total energy: -767.566891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -767.566891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -767.566891 (E_RNA)
where:
Base-Base interactions energy: -458.045
where: short stacking energy: -210.838
Base-Backbone interact. energy: -0.971
local terms energy: -308.550916
where:
bonds (distance) C4'-P energy: -54.934
bonds (distance) P-C4' energy: -70.530
flat angles C4'-P-C4' energy: -71.114
flat angles P-C4'-P energy: -46.736
tors. eta vs tors. theta energy: -65.237
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 256
Temperature: 1.100000
Total energy: -601.057854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -601.057854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -601.057854 (E_RNA)
where:
Base-Base interactions energy: -348.442
where: short stacking energy: -189.532
Base-Backbone interact. energy: -1.311
local terms energy: -251.304955
where:
bonds (distance) C4'-P energy: -64.297
bonds (distance) P-C4' energy: -55.922
flat angles C4'-P-C4' energy: -53.362
flat angles P-C4'-P energy: -34.104
tors. eta vs tors. theta energy: -43.620
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 256
Temperature: 1.150000
Total energy: -634.395384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -634.395384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -634.395384 (E_RNA)
where:
Base-Base interactions energy: -386.877
where: short stacking energy: -164.304
Base-Backbone interact. energy: 4.407
local terms energy: -251.925384
where:
bonds (distance) C4'-P energy: -61.768
bonds (distance) P-C4' energy: -72.003
flat angles C4'-P-C4' energy: -53.049
flat angles P-C4'-P energy: -36.269
tors. eta vs tors. theta energy: -28.837
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 256
Temperature: 1.200000
Total energy: -336.088532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.088532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.088532 (E_RNA)
where:
Base-Base interactions energy: -126.370
where: short stacking energy: -85.276
Base-Backbone interact. energy: -1.829
local terms energy: -207.890307
where:
bonds (distance) C4'-P energy: -67.909
bonds (distance) P-C4' energy: -67.035
flat angles C4'-P-C4' energy: -53.913
flat angles P-C4'-P energy: -29.720
tors. eta vs tors. theta energy: 10.687
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: 7
=====================================
Write number: 256
Temperature: 1.250000
Total energy: -315.026664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.026664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.026664 (E_RNA)
where:
Base-Base interactions energy: -83.647
where: short stacking energy: -60.978
Base-Backbone interact. energy: -1.482
local terms energy: -229.897232
where:
bonds (distance) C4'-P energy: -68.350
bonds (distance) P-C4' energy: -62.618
flat angles C4'-P-C4' energy: -63.348
flat angles P-C4'-P energy: -31.637
tors. eta vs tors. theta energy: -3.944
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: 8
=====================================
Write number: 256
Temperature: 1.300000
Total energy: -280.414044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.414044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.414044 (E_RNA)
where:
Base-Base interactions energy: -78.584
where: short stacking energy: -71.113
Base-Backbone interact. energy: 0.873
local terms energy: -202.703310
where:
bonds (distance) C4'-P energy: -64.754
bonds (distance) P-C4' energy: -59.664
flat angles C4'-P-C4' energy: -58.102
flat angles P-C4'-P energy: -23.917
tors. eta vs tors. theta energy: 3.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 256
Temperature: 1.350000
Total energy: -285.612820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.612820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.612820 (E_RNA)
where:
Base-Base interactions energy: -87.435
where: short stacking energy: -59.218
Base-Backbone interact. energy: 1.641
local terms energy: -199.818739
where:
bonds (distance) C4'-P energy: -60.491
bonds (distance) P-C4' energy: -65.506
flat angles C4'-P-C4' energy: -62.986
flat angles P-C4'-P energy: -29.804
tors. eta vs tors. theta energy: 18.968
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 257
Temperature: 0.900000
Total energy: -1071.643677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1071.643677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1071.643677 (E_RNA)
where:
Base-Base interactions energy: -703.422
where: short stacking energy: -314.026
Base-Backbone interact. energy: -1.198
local terms energy: -367.023340
where:
bonds (distance) C4'-P energy: -62.175
bonds (distance) P-C4' energy: -70.376
flat angles C4'-P-C4' energy: -78.219
flat angles P-C4'-P energy: -55.553
tors. eta vs tors. theta energy: -100.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 257
Temperature: 0.950000
Total energy: -1047.692004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1047.692004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1047.692004 (E_RNA)
where:
Base-Base interactions energy: -698.037
where: short stacking energy: -313.252
Base-Backbone interact. energy: -1.097
local terms energy: -348.557439
where:
bonds (distance) C4'-P energy: -65.648
bonds (distance) P-C4' energy: -65.347
flat angles C4'-P-C4' energy: -63.985
flat angles P-C4'-P energy: -49.109
tors. eta vs tors. theta energy: -104.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 257
Temperature: 1.000000
Total energy: -940.123378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -940.123378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -940.123378 (E_RNA)
where:
Base-Base interactions energy: -607.812
where: short stacking energy: -281.245
Base-Backbone interact. energy: 2.692
local terms energy: -335.003312
where:
bonds (distance) C4'-P energy: -58.868
bonds (distance) P-C4' energy: -67.585
flat angles C4'-P-C4' energy: -65.986
flat angles P-C4'-P energy: -55.144
tors. eta vs tors. theta energy: -87.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 257
Temperature: 1.050000
Total energy: -752.721293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -752.721293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -752.721293 (E_RNA)
where:
Base-Base interactions energy: -462.388
where: short stacking energy: -227.120
Base-Backbone interact. energy: -0.142
local terms energy: -290.191946
where:
bonds (distance) C4'-P energy: -55.203
bonds (distance) P-C4' energy: -65.182
flat angles C4'-P-C4' energy: -65.733
flat angles P-C4'-P energy: -39.621
tors. eta vs tors. theta energy: -64.453
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: 6
=====================================
Write number: 257
Temperature: 1.100000
Total energy: -638.867544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -638.867544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -638.867544 (E_RNA)
where:
Base-Base interactions energy: -373.088
where: short stacking energy: -170.670
Base-Backbone interact. energy: -1.340
local terms energy: -264.439974
where:
bonds (distance) C4'-P energy: -53.340
bonds (distance) P-C4' energy: -63.897
flat angles C4'-P-C4' energy: -64.412
flat angles P-C4'-P energy: -41.902
tors. eta vs tors. theta energy: -40.889
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 257
Temperature: 1.150000
Total energy: -588.700719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -588.700719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -588.700719 (E_RNA)
where:
Base-Base interactions energy: -319.774
where: short stacking energy: -172.113
Base-Backbone interact. energy: -1.184
local terms energy: -267.742587
where:
bonds (distance) C4'-P energy: -62.990
bonds (distance) P-C4' energy: -67.879
flat angles C4'-P-C4' energy: -55.743
flat angles P-C4'-P energy: -37.756
tors. eta vs tors. theta energy: -43.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 257
Temperature: 1.200000
Total energy: -396.139469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -396.139469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -396.139469 (E_RNA)
where:
Base-Base interactions energy: -161.644
where: short stacking energy: -98.157
Base-Backbone interact. energy: -0.265
local terms energy: -234.230925
where:
bonds (distance) C4'-P energy: -72.782
bonds (distance) P-C4' energy: -65.672
flat angles C4'-P-C4' energy: -51.273
flat angles P-C4'-P energy: -34.358
tors. eta vs tors. theta energy: -10.146
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: 257
Temperature: 1.250000
Total energy: -332.818717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.818717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.818717 (E_RNA)
where:
Base-Base interactions energy: -148.420
where: short stacking energy: -118.299
Base-Backbone interact. energy: -1.260
local terms energy: -183.138982
where:
bonds (distance) C4'-P energy: -48.850
bonds (distance) P-C4' energy: -57.762
flat angles C4'-P-C4' energy: -48.511
flat angles P-C4'-P energy: -26.666
tors. eta vs tors. theta energy: -1.349
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 257
Temperature: 1.300000
Total energy: -307.334767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.334767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.334767 (E_RNA)
where:
Base-Base interactions energy: -100.818
where: short stacking energy: -84.260
Base-Backbone interact. energy: -1.635
local terms energy: -204.881890
where:
bonds (distance) C4'-P energy: -54.225
bonds (distance) P-C4' energy: -63.282
flat angles C4'-P-C4' energy: -52.696
flat angles P-C4'-P energy: -38.986
tors. eta vs tors. theta energy: 4.307
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 257
Temperature: 1.350000
Total energy: -276.364178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.364178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.364178 (E_RNA)
where:
Base-Base interactions energy: -98.281
where: short stacking energy: -85.473
Base-Backbone interact. energy: 3.614
local terms energy: -181.697359
where:
bonds (distance) C4'-P energy: -56.946
bonds (distance) P-C4' energy: -63.374
flat angles C4'-P-C4' energy: -38.275
flat angles P-C4'-P energy: -24.919
tors. eta vs tors. theta energy: 1.817
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 258
Temperature: 0.900000
Total energy: -1054.937862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1054.937862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1054.937862 (E_RNA)
where:
Base-Base interactions energy: -680.210
where: short stacking energy: -296.421
Base-Backbone interact. energy: -2.163
local terms energy: -372.564563
where:
bonds (distance) C4'-P energy: -73.832
bonds (distance) P-C4' energy: -72.208
flat angles C4'-P-C4' energy: -71.526
flat angles P-C4'-P energy: -48.039
tors. eta vs tors. theta energy: -106.960
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 258
Temperature: 0.950000
Total energy: -1001.845034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1001.845034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1001.845034 (E_RNA)
where:
Base-Base interactions energy: -659.253
where: short stacking energy: -297.344
Base-Backbone interact. energy: 0.050
local terms energy: -342.642798
where:
bonds (distance) C4'-P energy: -65.034
bonds (distance) P-C4' energy: -63.392
flat angles C4'-P-C4' energy: -73.957
flat angles P-C4'-P energy: -42.675
tors. eta vs tors. theta energy: -97.585
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 258
Temperature: 1.000000
Total energy: -921.347955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -921.347955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -921.347955 (E_RNA)
where:
Base-Base interactions energy: -585.879
where: short stacking energy: -268.063
Base-Backbone interact. energy: -0.809
local terms energy: -334.659124
where:
bonds (distance) C4'-P energy: -63.994
bonds (distance) P-C4' energy: -61.739
flat angles C4'-P-C4' energy: -74.693
flat angles P-C4'-P energy: -50.078
tors. eta vs tors. theta energy: -84.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 258
Temperature: 1.050000
Total energy: -767.654174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -767.654174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -767.654174 (E_RNA)
where:
Base-Base interactions energy: -492.266
where: short stacking energy: -229.675
Base-Backbone interact. energy: 2.368
local terms energy: -277.756493
where:
bonds (distance) C4'-P energy: -63.447
bonds (distance) P-C4' energy: -64.382
flat angles C4'-P-C4' energy: -67.541
flat angles P-C4'-P energy: -35.081
tors. eta vs tors. theta energy: -47.305
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: 6
=====================================
Write number: 258
Temperature: 1.100000
Total energy: -625.302741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -625.302741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -625.302741 (E_RNA)
where:
Base-Base interactions energy: -347.523
where: short stacking energy: -175.559
Base-Backbone interact. energy: -0.677
local terms energy: -277.102606
where:
bonds (distance) C4'-P energy: -62.534
bonds (distance) P-C4' energy: -65.204
flat angles C4'-P-C4' energy: -71.050
flat angles P-C4'-P energy: -31.681
tors. eta vs tors. theta energy: -46.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 258
Temperature: 1.150000
Total energy: -583.028887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -583.028887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -583.028887 (E_RNA)
where:
Base-Base interactions energy: -333.643
where: short stacking energy: -144.057
Base-Backbone interact. energy: -0.621
local terms energy: -248.764949
where:
bonds (distance) C4'-P energy: -68.392
bonds (distance) P-C4' energy: -51.284
flat angles C4'-P-C4' energy: -66.256
flat angles P-C4'-P energy: -34.358
tors. eta vs tors. theta energy: -28.475
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: 10
=====================================
Write number: 258
Temperature: 1.200000
Total energy: -439.173158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -439.173158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -439.173158 (E_RNA)
where:
Base-Base interactions energy: -207.523
where: short stacking energy: -116.629
Base-Backbone interact. energy: -0.852
local terms energy: -230.798611
where:
bonds (distance) C4'-P energy: -62.064
bonds (distance) P-C4' energy: -67.110
flat angles C4'-P-C4' energy: -58.714
flat angles P-C4'-P energy: -45.662
tors. eta vs tors. theta energy: 2.751
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 258
Temperature: 1.250000
Total energy: -331.211209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.211209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.211209 (E_RNA)
where:
Base-Base interactions energy: -121.353
where: short stacking energy: -100.346
Base-Backbone interact. energy: 1.498
local terms energy: -211.356222
where:
bonds (distance) C4'-P energy: -45.316
bonds (distance) P-C4' energy: -69.395
flat angles C4'-P-C4' energy: -60.013
flat angles P-C4'-P energy: -42.275
tors. eta vs tors. theta energy: 5.643
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 258
Temperature: 1.300000
Total energy: -284.959431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.959431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.959431 (E_RNA)
where:
Base-Base interactions energy: -95.356
where: short stacking energy: -62.661
Base-Backbone interact. energy: 0.603
local terms energy: -190.205835
where:
bonds (distance) C4'-P energy: -50.047
bonds (distance) P-C4' energy: -68.390
flat angles C4'-P-C4' energy: -52.885
flat angles P-C4'-P energy: -31.888
tors. eta vs tors. theta energy: 13.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 258
Temperature: 1.350000
Total energy: -274.363273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.363273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.363273 (E_RNA)
where:
Base-Base interactions energy: -96.429
where: short stacking energy: -83.108
Base-Backbone interact. energy: 0.556
local terms energy: -178.490039
where:
bonds (distance) C4'-P energy: -35.084
bonds (distance) P-C4' energy: -59.224
flat angles C4'-P-C4' energy: -52.141
flat angles P-C4'-P energy: -34.506
tors. eta vs tors. theta energy: 2.465
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 259
Temperature: 0.900000
Total energy: -1052.747027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1052.747027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1052.747027 (E_RNA)
where:
Base-Base interactions energy: -691.690
where: short stacking energy: -304.792
Base-Backbone interact. energy: -1.430
local terms energy: -359.626871
where:
bonds (distance) C4'-P energy: -77.851
bonds (distance) P-C4' energy: -66.199
flat angles C4'-P-C4' energy: -74.030
flat angles P-C4'-P energy: -38.733
tors. eta vs tors. theta energy: -102.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 259
Temperature: 0.950000
Total energy: -1030.451512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1030.451512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1030.451512 (E_RNA)
where:
Base-Base interactions energy: -676.515
where: short stacking energy: -307.027
Base-Backbone interact. energy: -1.470
local terms energy: -352.466421
where:
bonds (distance) C4'-P energy: -62.031
bonds (distance) P-C4' energy: -63.608
flat angles C4'-P-C4' energy: -76.218
flat angles P-C4'-P energy: -47.044
tors. eta vs tors. theta energy: -103.566
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 259
Temperature: 1.000000
Total energy: -914.644371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -914.644371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -914.644371 (E_RNA)
where:
Base-Base interactions energy: -572.062
where: short stacking energy: -259.121
Base-Backbone interact. energy: 2.389
local terms energy: -344.970547
where:
bonds (distance) C4'-P energy: -63.531
bonds (distance) P-C4' energy: -74.346
flat angles C4'-P-C4' energy: -70.238
flat angles P-C4'-P energy: -57.995
tors. eta vs tors. theta energy: -78.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 259
Temperature: 1.050000
Total energy: -712.888761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -712.888761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -712.888761 (E_RNA)
where:
Base-Base interactions energy: -427.301
where: short stacking energy: -219.452
Base-Backbone interact. energy: -1.479
local terms energy: -284.108901
where:
bonds (distance) C4'-P energy: -65.794
bonds (distance) P-C4' energy: -61.248
flat angles C4'-P-C4' energy: -65.292
flat angles P-C4'-P energy: -33.014
tors. eta vs tors. theta energy: -58.761
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: 6
=====================================
Write number: 259
Temperature: 1.100000
Total energy: -646.857389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -646.857389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -646.857389 (E_RNA)
where:
Base-Base interactions energy: -378.023
where: short stacking energy: -194.930
Base-Backbone interact. energy: -0.953
local terms energy: -267.882207
where:
bonds (distance) C4'-P energy: -67.284
bonds (distance) P-C4' energy: -52.797
flat angles C4'-P-C4' energy: -64.770
flat angles P-C4'-P energy: -44.175
tors. eta vs tors. theta energy: -38.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 259
Temperature: 1.150000
Total energy: -606.438556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -606.438556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -606.438556 (E_RNA)
where:
Base-Base interactions energy: -356.891
where: short stacking energy: -179.136
Base-Backbone interact. energy: 0.169
local terms energy: -249.716382
where:
bonds (distance) C4'-P energy: -57.330
bonds (distance) P-C4' energy: -63.531
flat angles C4'-P-C4' energy: -64.041
flat angles P-C4'-P energy: -31.329
tors. eta vs tors. theta energy: -33.485
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 259
Temperature: 1.200000
Total energy: -433.672587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -433.672587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -433.672587 (E_RNA)
where:
Base-Base interactions energy: -216.459
where: short stacking energy: -106.649
Base-Backbone interact. energy: -1.122
local terms energy: -216.090915
where:
bonds (distance) C4'-P energy: -57.783
bonds (distance) P-C4' energy: -57.571
flat angles C4'-P-C4' energy: -59.881
flat angles P-C4'-P energy: -35.912
tors. eta vs tors. theta energy: -4.943
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 259
Temperature: 1.250000
Total energy: -315.310162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.310162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.310162 (E_RNA)
where:
Base-Base interactions energy: -114.749
where: short stacking energy: -89.411
Base-Backbone interact. energy: -1.374
local terms energy: -199.187724
where:
bonds (distance) C4'-P energy: -56.008
bonds (distance) P-C4' energy: -71.128
flat angles C4'-P-C4' energy: -49.250
flat angles P-C4'-P energy: -28.801
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: 259
Temperature: 1.300000
Total energy: -303.138010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.138010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.138010 (E_RNA)
where:
Base-Base interactions energy: -104.081
where: short stacking energy: -61.632
Base-Backbone interact. energy: 1.184
local terms energy: -200.240609
where:
bonds (distance) C4'-P energy: -73.111
bonds (distance) P-C4' energy: -56.440
flat angles C4'-P-C4' energy: -47.152
flat angles P-C4'-P energy: -32.378
tors. eta vs tors. theta energy: 8.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 259
Temperature: 1.350000
Total energy: -262.783032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.783032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.783032 (E_RNA)
where:
Base-Base interactions energy: -66.024
where: short stacking energy: -60.137
Base-Backbone interact. energy: -1.323
local terms energy: -195.436328
where:
bonds (distance) C4'-P energy: -53.849
bonds (distance) P-C4' energy: -53.070
flat angles C4'-P-C4' energy: -51.643
flat angles P-C4'-P energy: -35.955
tors. eta vs tors. theta energy: -0.920
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 260
Temperature: 0.900000
Total energy: -1073.576215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1073.576215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1073.576215 (E_RNA)
where:
Base-Base interactions energy: -709.677
where: short stacking energy: -300.970
Base-Backbone interact. energy: -2.687
local terms energy: -361.211914
where:
bonds (distance) C4'-P energy: -64.860
bonds (distance) P-C4' energy: -68.221
flat angles C4'-P-C4' energy: -79.650
flat angles P-C4'-P energy: -48.239
tors. eta vs tors. theta energy: -100.242
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: 4
=====================================
Write number: 260
Temperature: 0.950000
Total energy: -1014.578237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1014.578237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1014.578237 (E_RNA)
where:
Base-Base interactions energy: -652.983
where: short stacking energy: -298.610
Base-Backbone interact. energy: -2.113
local terms energy: -359.481987
where:
bonds (distance) C4'-P energy: -67.127
bonds (distance) P-C4' energy: -74.644
flat angles C4'-P-C4' energy: -74.805
flat angles P-C4'-P energy: -44.828
tors. eta vs tors. theta energy: -98.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 260
Temperature: 1.000000
Total energy: -906.012488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -906.012488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -906.012488 (E_RNA)
where:
Base-Base interactions energy: -560.976
where: short stacking energy: -273.809
Base-Backbone interact. energy: -1.300
local terms energy: -343.736396
where:
bonds (distance) C4'-P energy: -66.043
bonds (distance) P-C4' energy: -74.963
flat angles C4'-P-C4' energy: -73.974
flat angles P-C4'-P energy: -44.328
tors. eta vs tors. theta energy: -84.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 260
Temperature: 1.050000
Total energy: -745.170681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -745.170681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -745.170681 (E_RNA)
where:
Base-Base interactions energy: -458.981
where: short stacking energy: -204.779
Base-Backbone interact. energy: -0.898
local terms energy: -285.291849
where:
bonds (distance) C4'-P energy: -65.128
bonds (distance) P-C4' energy: -68.293
flat angles C4'-P-C4' energy: -60.639
flat angles P-C4'-P energy: -39.811
tors. eta vs tors. theta energy: -51.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 260
Temperature: 1.100000
Total energy: -661.877902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -661.877902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -661.877902 (E_RNA)
where:
Base-Base interactions energy: -390.452
where: short stacking energy: -196.732
Base-Backbone interact. energy: -1.702
local terms energy: -269.723027
where:
bonds (distance) C4'-P energy: -54.480
bonds (distance) P-C4' energy: -62.464
flat angles C4'-P-C4' energy: -58.494
flat angles P-C4'-P energy: -32.338
tors. eta vs tors. theta energy: -61.947
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 260
Temperature: 1.150000
Total energy: -583.086831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -583.086831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -583.086831 (E_RNA)
where:
Base-Base interactions energy: -355.403
where: short stacking energy: -163.013
Base-Backbone interact. energy: -2.361
local terms energy: -225.323044
where:
bonds (distance) C4'-P energy: -53.202
bonds (distance) P-C4' energy: -51.604
flat angles C4'-P-C4' energy: -53.005
flat angles P-C4'-P energy: -24.799
tors. eta vs tors. theta energy: -42.712
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: 260
Temperature: 1.200000
Total energy: -396.312572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -396.312572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -396.312572 (E_RNA)
where:
Base-Base interactions energy: -164.935
where: short stacking energy: -110.121
Base-Backbone interact. energy: -1.369
local terms energy: -230.008988
where:
bonds (distance) C4'-P energy: -61.584
bonds (distance) P-C4' energy: -61.714
flat angles C4'-P-C4' energy: -65.092
flat angles P-C4'-P energy: -40.895
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: 8, replica: 9
=====================================
Write number: 260
Temperature: 1.250000
Total energy: -354.407240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.407240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.407240 (E_RNA)
where:
Base-Base interactions energy: -161.829
where: short stacking energy: -105.775
Base-Backbone interact. energy: -0.319
local terms energy: -192.259100
where:
bonds (distance) C4'-P energy: -51.890
bonds (distance) P-C4' energy: -61.461
flat angles C4'-P-C4' energy: -49.965
flat angles P-C4'-P energy: -31.626
tors. eta vs tors. theta energy: 2.683
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: 8
=====================================
Write number: 260
Temperature: 1.300000
Total energy: -281.247706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.247706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.247706 (E_RNA)
where:
Base-Base interactions energy: -88.895
where: short stacking energy: -71.909
Base-Backbone interact. energy: 3.215
local terms energy: -195.568166
where:
bonds (distance) C4'-P energy: -46.859
bonds (distance) P-C4' energy: -61.864
flat angles C4'-P-C4' energy: -59.084
flat angles P-C4'-P energy: -31.758
tors. eta vs tors. theta energy: 3.997
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 260
Temperature: 1.350000
Total energy: -272.375578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.375578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.375578 (E_RNA)
where:
Base-Base interactions energy: -88.934
where: short stacking energy: -79.725
Base-Backbone interact. energy: 0.341
local terms energy: -183.782322
where:
bonds (distance) C4'-P energy: -64.605
bonds (distance) P-C4' energy: -53.886
flat angles C4'-P-C4' energy: -42.385
flat angles P-C4'-P energy: -20.767
tors. eta vs tors. theta energy: -2.141
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 261
Temperature: 0.900000
Total energy: -1062.571754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1062.571754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1062.571754 (E_RNA)
where:
Base-Base interactions energy: -701.795
where: short stacking energy: -303.179
Base-Backbone interact. energy: -0.303
local terms energy: -360.473472
where:
bonds (distance) C4'-P energy: -69.585
bonds (distance) P-C4' energy: -67.526
flat angles C4'-P-C4' energy: -73.187
flat angles P-C4'-P energy: -55.928
tors. eta vs tors. theta energy: -94.248
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: 4
=====================================
Write number: 261
Temperature: 0.950000
Total energy: -1069.042332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1069.042332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1069.042332 (E_RNA)
where:
Base-Base interactions energy: -700.317
where: short stacking energy: -312.681
Base-Backbone interact. energy: 0.108
local terms energy: -368.832631
where:
bonds (distance) C4'-P energy: -70.362
bonds (distance) P-C4' energy: -78.620
flat angles C4'-P-C4' energy: -58.061
flat angles P-C4'-P energy: -53.237
tors. eta vs tors. theta energy: -108.552
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 261
Temperature: 1.000000
Total energy: -927.210880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -927.210880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -927.210880 (E_RNA)
where:
Base-Base interactions energy: -580.580
where: short stacking energy: -278.333
Base-Backbone interact. energy: -0.789
local terms energy: -345.842183
where:
bonds (distance) C4'-P energy: -52.780
bonds (distance) P-C4' energy: -74.738
flat angles C4'-P-C4' energy: -74.105
flat angles P-C4'-P energy: -48.141
tors. eta vs tors. theta energy: -96.079
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: 3
=====================================
Write number: 261
Temperature: 1.050000
Total energy: -739.138070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -739.138070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -739.138070 (E_RNA)
where:
Base-Base interactions energy: -437.366
where: short stacking energy: -224.033
Base-Backbone interact. energy: 1.099
local terms energy: -302.871114
where:
bonds (distance) C4'-P energy: -67.230
bonds (distance) P-C4' energy: -60.788
flat angles C4'-P-C4' energy: -59.784
flat angles P-C4'-P energy: -53.161
tors. eta vs tors. theta energy: -61.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 261
Temperature: 1.100000
Total energy: -564.131042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -564.131042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -564.131042 (E_RNA)
where:
Base-Base interactions energy: -308.173
where: short stacking energy: -170.150
Base-Backbone interact. energy: 0.297
local terms energy: -256.255162
where:
bonds (distance) C4'-P energy: -65.842
bonds (distance) P-C4' energy: -69.786
flat angles C4'-P-C4' energy: -55.266
flat angles P-C4'-P energy: -32.008
tors. eta vs tors. theta energy: -33.354
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 261
Temperature: 1.150000
Total energy: -610.252419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -610.252419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -610.252419 (E_RNA)
where:
Base-Base interactions energy: -351.725
where: short stacking energy: -160.611
Base-Backbone interact. energy: 0.900
local terms energy: -259.426949
where:
bonds (distance) C4'-P energy: -58.197
bonds (distance) P-C4' energy: -66.108
flat angles C4'-P-C4' energy: -68.409
flat angles P-C4'-P energy: -38.628
tors. eta vs tors. theta energy: -28.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 261
Temperature: 1.200000
Total energy: -398.184689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -398.184689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -398.184689 (E_RNA)
where:
Base-Base interactions energy: -182.990
where: short stacking energy: -114.546
Base-Backbone interact. energy: 1.149
local terms energy: -216.343383
where:
bonds (distance) C4'-P energy: -62.859
bonds (distance) P-C4' energy: -71.182
flat angles C4'-P-C4' energy: -46.140
flat angles P-C4'-P energy: -29.538
tors. eta vs tors. theta energy: -6.623
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: 8, replica: 8
=====================================
Write number: 261
Temperature: 1.250000
Total energy: -311.032909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.032909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.032909 (E_RNA)
where:
Base-Base interactions energy: -95.953
where: short stacking energy: -82.365
Base-Backbone interact. energy: 0.131
local terms energy: -215.210179
where:
bonds (distance) C4'-P energy: -59.698
bonds (distance) P-C4' energy: -65.901
flat angles C4'-P-C4' energy: -58.696
flat angles P-C4'-P energy: -39.371
tors. eta vs tors. theta energy: 8.455
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: 9
=====================================
Write number: 261
Temperature: 1.300000
Total energy: -290.350143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.350143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.350143 (E_RNA)
where:
Base-Base interactions energy: -102.192
where: short stacking energy: -74.734
Base-Backbone interact. energy: -1.590
local terms energy: -186.567905
where:
bonds (distance) C4'-P energy: -52.408
bonds (distance) P-C4' energy: -63.439
flat angles C4'-P-C4' energy: -41.969
flat angles P-C4'-P energy: -36.664
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: 10, replica: 7
=====================================
Write number: 261
Temperature: 1.350000
Total energy: -291.737889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.737889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.737889 (E_RNA)
where:
Base-Base interactions energy: -102.393
where: short stacking energy: -70.735
Base-Backbone interact. energy: -0.212
local terms energy: -189.133203
where:
bonds (distance) C4'-P energy: -53.210
bonds (distance) P-C4' energy: -55.749
flat angles C4'-P-C4' energy: -51.266
flat angles P-C4'-P energy: -39.355
tors. eta vs tors. theta energy: 10.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 262
Temperature: 0.900000
Total energy: -1077.537732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1077.537732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1077.537732 (E_RNA)
where:
Base-Base interactions energy: -693.338
where: short stacking energy: -341.779
Base-Backbone interact. energy: -1.858
local terms energy: -382.342109
where:
bonds (distance) C4'-P energy: -71.542
bonds (distance) P-C4' energy: -65.103
flat angles C4'-P-C4' energy: -78.769
flat angles P-C4'-P energy: -50.950
tors. eta vs tors. theta energy: -115.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 262
Temperature: 0.950000
Total energy: -1017.292793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1017.292793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1017.292793 (E_RNA)
where:
Base-Base interactions energy: -678.117
where: short stacking energy: -316.094
Base-Backbone interact. energy: -1.964
local terms energy: -337.211256
where:
bonds (distance) C4'-P energy: -53.209
bonds (distance) P-C4' energy: -58.816
flat angles C4'-P-C4' energy: -71.323
flat angles P-C4'-P energy: -49.353
tors. eta vs tors. theta energy: -104.510
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: 5
=====================================
Write number: 262
Temperature: 1.000000
Total energy: -936.784071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -936.784071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -936.784071 (E_RNA)
where:
Base-Base interactions energy: -609.508
where: short stacking energy: -278.842
Base-Backbone interact. energy: 1.157
local terms energy: -328.433261
where:
bonds (distance) C4'-P energy: -60.424
bonds (distance) P-C4' energy: -72.905
flat angles C4'-P-C4' energy: -63.841
flat angles P-C4'-P energy: -47.171
tors. eta vs tors. theta energy: -84.092
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 262
Temperature: 1.050000
Total energy: -735.165476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -735.165476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -735.165476 (E_RNA)
where:
Base-Base interactions energy: -439.131
where: short stacking energy: -223.427
Base-Backbone interact. energy: -1.054
local terms energy: -294.980544
where:
bonds (distance) C4'-P energy: -71.855
bonds (distance) P-C4' energy: -66.333
flat angles C4'-P-C4' energy: -59.568
flat angles P-C4'-P energy: -39.448
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: 5, replica: 2
=====================================
Write number: 262
Temperature: 1.100000
Total energy: -641.494754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -641.494754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -641.494754 (E_RNA)
where:
Base-Base interactions energy: -386.043
where: short stacking energy: -203.925
Base-Backbone interact. energy: -0.988
local terms energy: -254.463587
where:
bonds (distance) C4'-P energy: -66.746
bonds (distance) P-C4' energy: -53.556
flat angles C4'-P-C4' energy: -55.072
flat angles P-C4'-P energy: -46.041
tors. eta vs tors. theta energy: -33.049
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: 6
=====================================
Write number: 262
Temperature: 1.150000
Total energy: -548.953736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.953736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.953736 (E_RNA)
where:
Base-Base interactions energy: -311.197
where: short stacking energy: -156.315
Base-Backbone interact. energy: 5.667
local terms energy: -243.423474
where:
bonds (distance) C4'-P energy: -62.598
bonds (distance) P-C4' energy: -59.906
flat angles C4'-P-C4' energy: -58.819
flat angles P-C4'-P energy: -38.944
tors. eta vs tors. theta energy: -23.156
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: 262
Temperature: 1.200000
Total energy: -404.440970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -404.440970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -404.440970 (E_RNA)
where:
Base-Base interactions energy: -225.799
where: short stacking energy: -123.691
Base-Backbone interact. energy: 0.827
local terms energy: -179.468477
where:
bonds (distance) C4'-P energy: -54.500
bonds (distance) P-C4' energy: -51.911
flat angles C4'-P-C4' energy: -47.884
flat angles P-C4'-P energy: -20.592
tors. eta vs tors. theta energy: -4.582
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 262
Temperature: 1.250000
Total energy: -330.318174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.318174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.318174 (E_RNA)
where:
Base-Base interactions energy: -130.981
where: short stacking energy: -112.962
Base-Backbone interact. energy: -1.341
local terms energy: -197.996480
where:
bonds (distance) C4'-P energy: -62.135
bonds (distance) P-C4' energy: -55.820
flat angles C4'-P-C4' energy: -52.235
flat angles P-C4'-P energy: -31.132
tors. eta vs tors. theta energy: 3.326
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 262
Temperature: 1.300000
Total energy: -292.333981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.333981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.333981 (E_RNA)
where:
Base-Base interactions energy: -112.942
where: short stacking energy: -87.056
Base-Backbone interact. energy: -0.714
local terms energy: -178.677538
where:
bonds (distance) C4'-P energy: -49.692
bonds (distance) P-C4' energy: -61.624
flat angles C4'-P-C4' energy: -47.834
flat angles P-C4'-P energy: -34.545
tors. eta vs tors. theta energy: 15.018
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 262
Temperature: 1.350000
Total energy: -267.826466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.826466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.826466 (E_RNA)
where:
Base-Base interactions energy: -84.665
where: short stacking energy: -74.534
Base-Backbone interact. energy: 0.225
local terms energy: -183.386136
where:
bonds (distance) C4'-P energy: -59.757
bonds (distance) P-C4' energy: -53.017
flat angles C4'-P-C4' energy: -56.562
flat angles P-C4'-P energy: -28.536
tors. eta vs tors. theta energy: 14.485
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: 4
=====================================
Write number: 263
Temperature: 0.900000
Total energy: -1044.998893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1044.998893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1044.998893 (E_RNA)
where:
Base-Base interactions energy: -678.092
where: short stacking energy: -328.902
Base-Backbone interact. energy: -0.904
local terms energy: -366.002793
where:
bonds (distance) C4'-P energy: -70.206
bonds (distance) P-C4' energy: -77.294
flat angles C4'-P-C4' energy: -70.849
flat angles P-C4'-P energy: -49.940
tors. eta vs tors. theta energy: -97.714
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 263
Temperature: 0.950000
Total energy: -1000.360468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1000.360468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1000.360468 (E_RNA)
where:
Base-Base interactions energy: -652.541
where: short stacking energy: -295.405
Base-Backbone interact. energy: -2.184
local terms energy: -345.635378
where:
bonds (distance) C4'-P energy: -58.798
bonds (distance) P-C4' energy: -69.431
flat angles C4'-P-C4' energy: -72.256
flat angles P-C4'-P energy: -45.855
tors. eta vs tors. theta energy: -99.295
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: 5
=====================================
Write number: 263
Temperature: 1.000000
Total energy: -929.314134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -929.314134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -929.314134 (E_RNA)
where:
Base-Base interactions energy: -604.709
where: short stacking energy: -262.954
Base-Backbone interact. energy: 2.003
local terms energy: -326.607591
where:
bonds (distance) C4'-P energy: -57.765
bonds (distance) P-C4' energy: -63.096
flat angles C4'-P-C4' energy: -69.700
flat angles P-C4'-P energy: -47.276
tors. eta vs tors. theta energy: -88.771
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: 3
=====================================
Write number: 263
Temperature: 1.050000
Total energy: -741.752129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -741.752129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -741.752129 (E_RNA)
where:
Base-Base interactions energy: -464.560
where: short stacking energy: -204.443
Base-Backbone interact. energy: -0.387
local terms energy: -276.804882
where:
bonds (distance) C4'-P energy: -59.401
bonds (distance) P-C4' energy: -60.867
flat angles C4'-P-C4' energy: -57.867
flat angles P-C4'-P energy: -45.776
tors. eta vs tors. theta energy: -52.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 263
Temperature: 1.100000
Total energy: -649.348019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -649.348019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -649.348019 (E_RNA)
where:
Base-Base interactions energy: -384.483
where: short stacking energy: -200.582
Base-Backbone interact. energy: -0.535
local terms energy: -264.330782
where:
bonds (distance) C4'-P energy: -64.782
bonds (distance) P-C4' energy: -63.946
flat angles C4'-P-C4' energy: -64.188
flat angles P-C4'-P energy: -37.413
tors. eta vs tors. theta energy: -34.001
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: 6
=====================================
Write number: 263
Temperature: 1.150000
Total energy: -564.302015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -564.302015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -564.302015 (E_RNA)
where:
Base-Base interactions energy: -316.099
where: short stacking energy: -154.272
Base-Backbone interact. energy: 0.653
local terms energy: -248.856142
where:
bonds (distance) C4'-P energy: -62.505
bonds (distance) P-C4' energy: -64.649
flat angles C4'-P-C4' energy: -56.029
flat angles P-C4'-P energy: -47.343
tors. eta vs tors. theta energy: -18.329
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: 263
Temperature: 1.200000
Total energy: -419.211835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.211835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.211835 (E_RNA)
where:
Base-Base interactions energy: -178.516
where: short stacking energy: -114.911
Base-Backbone interact. energy: -0.942
local terms energy: -239.753415
where:
bonds (distance) C4'-P energy: -60.156
bonds (distance) P-C4' energy: -67.946
flat angles C4'-P-C4' energy: -63.876
flat angles P-C4'-P energy: -34.986
tors. eta vs tors. theta energy: -12.789
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: 9
=====================================
Write number: 263
Temperature: 1.250000
Total energy: -327.178694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.178694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.178694 (E_RNA)
where:
Base-Base interactions energy: -124.232
where: short stacking energy: -88.968
Base-Backbone interact. energy: -2.028
local terms energy: -200.918388
where:
bonds (distance) C4'-P energy: -57.857
bonds (distance) P-C4' energy: -66.336
flat angles C4'-P-C4' energy: -54.768
flat angles P-C4'-P energy: -33.485
tors. eta vs tors. theta energy: 11.527
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: 8
=====================================
Write number: 263
Temperature: 1.300000
Total energy: -300.465808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.465808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.465808 (E_RNA)
where:
Base-Base interactions energy: -101.751
where: short stacking energy: -82.652
Base-Backbone interact. energy: 0.355
local terms energy: -199.069358
where:
bonds (distance) C4'-P energy: -65.442
bonds (distance) P-C4' energy: -68.445
flat angles C4'-P-C4' energy: -49.932
flat angles P-C4'-P energy: -18.806
tors. eta vs tors. theta energy: 3.556
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: 263
Temperature: 1.350000
Total energy: -283.666149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.666149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.666149 (E_RNA)
where:
Base-Base interactions energy: -97.499
where: short stacking energy: -85.117
Base-Backbone interact. energy: -1.172
local terms energy: -184.994446
where:
bonds (distance) C4'-P energy: -56.388
bonds (distance) P-C4' energy: -59.892
flat angles C4'-P-C4' energy: -42.155
flat angles P-C4'-P energy: -38.255
tors. eta vs tors. theta energy: 11.696
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 264
Temperature: 0.900000
Total energy: -1059.707329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1059.707329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1059.707329 (E_RNA)
where:
Base-Base interactions energy: -688.967
where: short stacking energy: -303.348
Base-Backbone interact. energy: 0.121
local terms energy: -370.861733
where:
bonds (distance) C4'-P energy: -68.281
bonds (distance) P-C4' energy: -66.954
flat angles C4'-P-C4' energy: -83.083
flat angles P-C4'-P energy: -44.069
tors. eta vs tors. theta energy: -108.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 264
Temperature: 0.950000
Total energy: -1002.949822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1002.949822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1002.949822 (E_RNA)
where:
Base-Base interactions energy: -638.370
where: short stacking energy: -299.429
Base-Backbone interact. energy: -1.825
local terms energy: -362.754613
where:
bonds (distance) C4'-P energy: -71.498
bonds (distance) P-C4' energy: -68.628
flat angles C4'-P-C4' energy: -72.200
flat angles P-C4'-P energy: -49.718
tors. eta vs tors. theta energy: -100.711
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 264
Temperature: 1.000000
Total energy: -877.990653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -877.990653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -877.990653 (E_RNA)
where:
Base-Base interactions energy: -548.506
where: short stacking energy: -241.037
Base-Backbone interact. energy: -0.623
local terms energy: -328.861750
where:
bonds (distance) C4'-P energy: -79.680
bonds (distance) P-C4' energy: -57.319
flat angles C4'-P-C4' energy: -70.321
flat angles P-C4'-P energy: -47.876
tors. eta vs tors. theta energy: -73.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 264
Temperature: 1.050000
Total energy: -707.796914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -707.796914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -707.796914 (E_RNA)
where:
Base-Base interactions energy: -424.071
where: short stacking energy: -198.012
Base-Backbone interact. energy: -1.561
local terms energy: -282.164745
where:
bonds (distance) C4'-P energy: -57.441
bonds (distance) P-C4' energy: -66.728
flat angles C4'-P-C4' energy: -72.590
flat angles P-C4'-P energy: -42.859
tors. eta vs tors. theta energy: -42.546
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 264
Temperature: 1.100000
Total energy: -659.259604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -659.259604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -659.259604 (E_RNA)
where:
Base-Base interactions energy: -392.034
where: short stacking energy: -189.163
Base-Backbone interact. energy: 3.404
local terms energy: -270.629294
where:
bonds (distance) C4'-P energy: -64.872
bonds (distance) P-C4' energy: -67.307
flat angles C4'-P-C4' energy: -61.251
flat angles P-C4'-P energy: -32.211
tors. eta vs tors. theta energy: -44.988
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 264
Temperature: 1.150000
Total energy: -579.609304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -579.609304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -579.609304 (E_RNA)
where:
Base-Base interactions energy: -338.815
where: short stacking energy: -166.933
Base-Backbone interact. energy: -0.294
local terms energy: -240.500087
where:
bonds (distance) C4'-P energy: -51.180
bonds (distance) P-C4' energy: -53.174
flat angles C4'-P-C4' energy: -62.648
flat angles P-C4'-P energy: -38.792
tors. eta vs tors. theta energy: -34.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 264
Temperature: 1.200000
Total energy: -350.583275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.583275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.583275 (E_RNA)
where:
Base-Base interactions energy: -140.455
where: short stacking energy: -106.969
Base-Backbone interact. energy: 3.351
local terms energy: -213.478961
where:
bonds (distance) C4'-P energy: -59.561
bonds (distance) P-C4' energy: -63.879
flat angles C4'-P-C4' energy: -55.920
flat angles P-C4'-P energy: -35.015
tors. eta vs tors. theta energy: 0.896
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: 264
Temperature: 1.250000
Total energy: -315.065344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.065344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.065344 (E_RNA)
where:
Base-Base interactions energy: -114.420
where: short stacking energy: -79.082
Base-Backbone interact. energy: -1.307
local terms energy: -199.337811
where:
bonds (distance) C4'-P energy: -68.470
bonds (distance) P-C4' energy: -55.811
flat angles C4'-P-C4' energy: -54.197
flat angles P-C4'-P energy: -32.609
tors. eta vs tors. theta energy: 11.749
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: 9, replica: 7
=====================================
Write number: 264
Temperature: 1.300000
Total energy: -300.328429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.328429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.328429 (E_RNA)
where:
Base-Base interactions energy: -120.112
where: short stacking energy: -92.347
Base-Backbone interact. energy: 0.036
local terms energy: -180.251813
where:
bonds (distance) C4'-P energy: -46.544
bonds (distance) P-C4' energy: -58.470
flat angles C4'-P-C4' energy: -46.849
flat angles P-C4'-P energy: -27.145
tors. eta vs tors. theta energy: -1.245
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 264
Temperature: 1.350000
Total energy: -274.578956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.578956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.578956 (E_RNA)
where:
Base-Base interactions energy: -86.388
where: short stacking energy: -59.945
Base-Backbone interact. energy: 3.382
local terms energy: -191.572977
where:
bonds (distance) C4'-P energy: -55.525
bonds (distance) P-C4' energy: -53.041
flat angles C4'-P-C4' energy: -68.738
flat angles P-C4'-P energy: -24.266
tors. eta vs tors. theta energy: 9.998
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 265
Temperature: 0.900000
Total energy: -1105.565179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1105.565179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1105.565179 (E_RNA)
where:
Base-Base interactions energy: -737.125
where: short stacking energy: -330.569
Base-Backbone interact. energy: 2.562
local terms energy: -371.002641
where:
bonds (distance) C4'-P energy: -75.409
bonds (distance) P-C4' energy: -58.159
flat angles C4'-P-C4' energy: -78.784
flat angles P-C4'-P energy: -51.759
tors. eta vs tors. theta energy: -106.891
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: 2, replica: 1
=====================================
Write number: 265
Temperature: 0.950000
Total energy: -1002.005166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1002.005166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1002.005166 (E_RNA)
where:
Base-Base interactions energy: -637.212
where: short stacking energy: -296.172
Base-Backbone interact. energy: -1.642
local terms energy: -363.150830
where:
bonds (distance) C4'-P energy: -69.810
bonds (distance) P-C4' energy: -71.375
flat angles C4'-P-C4' energy: -68.607
flat angles P-C4'-P energy: -47.480
tors. eta vs tors. theta energy: -105.878
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 265
Temperature: 1.000000
Total energy: -882.351263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -882.351263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -882.351263 (E_RNA)
where:
Base-Base interactions energy: -545.525
where: short stacking energy: -243.889
Base-Backbone interact. energy: -2.044
local terms energy: -334.781959
where:
bonds (distance) C4'-P energy: -74.723
bonds (distance) P-C4' energy: -58.078
flat angles C4'-P-C4' energy: -77.244
flat angles P-C4'-P energy: -51.905
tors. eta vs tors. theta energy: -72.832
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 265
Temperature: 1.050000
Total energy: -732.693938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -732.693938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -732.693938 (E_RNA)
where:
Base-Base interactions energy: -461.567
where: short stacking energy: -201.797
Base-Backbone interact. energy: -0.765
local terms energy: -270.362013
where:
bonds (distance) C4'-P energy: -56.808
bonds (distance) P-C4' energy: -63.690
flat angles C4'-P-C4' energy: -63.798
flat angles P-C4'-P energy: -43.587
tors. eta vs tors. theta energy: -42.479
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 265
Temperature: 1.100000
Total energy: -683.675714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -683.675714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -683.675714 (E_RNA)
where:
Base-Base interactions energy: -399.946
where: short stacking energy: -200.383
Base-Backbone interact. energy: 1.706
local terms energy: -285.436084
where:
bonds (distance) C4'-P energy: -62.678
bonds (distance) P-C4' energy: -53.027
flat angles C4'-P-C4' energy: -62.710
flat angles P-C4'-P energy: -57.855
tors. eta vs tors. theta energy: -49.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 265
Temperature: 1.150000
Total energy: -572.412079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -572.412079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -572.412079 (E_RNA)
where:
Base-Base interactions energy: -321.160
where: short stacking energy: -152.055
Base-Backbone interact. energy: 1.418
local terms energy: -252.670218
where:
bonds (distance) C4'-P energy: -64.999
bonds (distance) P-C4' energy: -62.780
flat angles C4'-P-C4' energy: -63.649
flat angles P-C4'-P energy: -31.370
tors. eta vs tors. theta energy: -29.871
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: 9
=====================================
Write number: 265
Temperature: 1.200000
Total energy: -353.219911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.219911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.219911 (E_RNA)
where:
Base-Base interactions energy: -123.942
where: short stacking energy: -106.066
Base-Backbone interact. energy: -3.896
local terms energy: -225.381513
where:
bonds (distance) C4'-P energy: -51.110
bonds (distance) P-C4' energy: -73.850
flat angles C4'-P-C4' energy: -60.182
flat angles P-C4'-P energy: -31.957
tors. eta vs tors. theta energy: -8.282
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 265
Temperature: 1.250000
Total energy: -321.816416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.816416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.816416 (E_RNA)
where:
Base-Base interactions energy: -121.699
where: short stacking energy: -98.633
Base-Backbone interact. energy: -1.250
local terms energy: -198.867364
where:
bonds (distance) C4'-P energy: -65.413
bonds (distance) P-C4' energy: -61.567
flat angles C4'-P-C4' energy: -43.637
flat angles P-C4'-P energy: -29.912
tors. eta vs tors. theta energy: 1.661
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 265
Temperature: 1.300000
Total energy: -316.480093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.480093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.480093 (E_RNA)
where:
Base-Base interactions energy: -101.294
where: short stacking energy: -75.601
Base-Backbone interact. energy: 0.161
local terms energy: -215.346697
where:
bonds (distance) C4'-P energy: -61.908
bonds (distance) P-C4' energy: -62.454
flat angles C4'-P-C4' energy: -63.511
flat angles P-C4'-P energy: -39.192
tors. eta vs tors. theta energy: 11.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 265
Temperature: 1.350000
Total energy: -267.993206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.993206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.993206 (E_RNA)
where:
Base-Base interactions energy: -87.094
where: short stacking energy: -70.450
Base-Backbone interact. energy: 4.723
local terms energy: -185.622505
where:
bonds (distance) C4'-P energy: -58.741
bonds (distance) P-C4' energy: -48.099
flat angles C4'-P-C4' energy: -43.543
flat angles P-C4'-P energy: -43.016
tors. eta vs tors. theta energy: 7.776
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 266
Temperature: 0.900000
Total energy: -1057.712951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1057.712951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1057.712951 (E_RNA)
where:
Base-Base interactions energy: -676.909
where: short stacking energy: -305.459
Base-Backbone interact. energy: -1.224
local terms energy: -379.580502
where:
bonds (distance) C4'-P energy: -68.071
bonds (distance) P-C4' energy: -73.803
flat angles C4'-P-C4' energy: -78.038
flat angles P-C4'-P energy: -52.442
tors. eta vs tors. theta energy: -107.227
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 266
Temperature: 0.950000
Total energy: -1051.606239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1051.606239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1051.606239 (E_RNA)
where:
Base-Base interactions energy: -681.545
where: short stacking energy: -303.461
Base-Backbone interact. energy: -1.448
local terms energy: -368.613771
where:
bonds (distance) C4'-P energy: -69.975
bonds (distance) P-C4' energy: -64.359
flat angles C4'-P-C4' energy: -78.446
flat angles P-C4'-P energy: -53.802
tors. eta vs tors. theta energy: -102.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 266
Temperature: 1.000000
Total energy: -895.694798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -895.694798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -895.694798 (E_RNA)
where:
Base-Base interactions energy: -564.672
where: short stacking energy: -263.597
Base-Backbone interact. energy: -0.331
local terms energy: -330.691882
where:
bonds (distance) C4'-P energy: -64.288
bonds (distance) P-C4' energy: -66.272
flat angles C4'-P-C4' energy: -76.049
flat angles P-C4'-P energy: -40.784
tors. eta vs tors. theta energy: -83.298
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 266
Temperature: 1.050000
Total energy: -714.771247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -714.771247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -714.771247 (E_RNA)
where:
Base-Base interactions energy: -417.677
where: short stacking energy: -194.970
Base-Backbone interact. energy: 0.522
local terms energy: -297.616662
where:
bonds (distance) C4'-P energy: -75.845
bonds (distance) P-C4' energy: -71.875
flat angles C4'-P-C4' energy: -64.442
flat angles P-C4'-P energy: -41.968
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: 5, replica: 2
=====================================
Write number: 266
Temperature: 1.100000
Total energy: -684.573385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -684.573385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -684.573385 (E_RNA)
where:
Base-Base interactions energy: -410.058
where: short stacking energy: -197.107
Base-Backbone interact. energy: -0.587
local terms energy: -273.928686
where:
bonds (distance) C4'-P energy: -61.544
bonds (distance) P-C4' energy: -59.159
flat angles C4'-P-C4' energy: -61.475
flat angles P-C4'-P energy: -45.597
tors. eta vs tors. theta energy: -46.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 266
Temperature: 1.150000
Total energy: -576.993176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -576.993176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -576.993176 (E_RNA)
where:
Base-Base interactions energy: -300.916
where: short stacking energy: -162.631
Base-Backbone interact. energy: 0.499
local terms energy: -276.576194
where:
bonds (distance) C4'-P energy: -60.716
bonds (distance) P-C4' energy: -61.160
flat angles C4'-P-C4' energy: -70.072
flat angles P-C4'-P energy: -44.680
tors. eta vs tors. theta energy: -39.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 266
Temperature: 1.200000
Total energy: -331.548467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.548467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.548467 (E_RNA)
where:
Base-Base interactions energy: -126.059
where: short stacking energy: -97.109
Base-Backbone interact. energy: -0.825
local terms energy: -204.664726
where:
bonds (distance) C4'-P energy: -55.468
bonds (distance) P-C4' energy: -62.569
flat angles C4'-P-C4' energy: -56.793
flat angles P-C4'-P energy: -20.851
tors. eta vs tors. theta energy: -8.984
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 266
Temperature: 1.250000
Total energy: -326.555195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.555195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.555195 (E_RNA)
where:
Base-Base interactions energy: -132.581
where: short stacking energy: -92.176
Base-Backbone interact. energy: -1.246
local terms energy: -192.728321
where:
bonds (distance) C4'-P energy: -65.788
bonds (distance) P-C4' energy: -60.794
flat angles C4'-P-C4' energy: -40.861
flat angles P-C4'-P energy: -21.691
tors. eta vs tors. theta energy: -3.594
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 266
Temperature: 1.300000
Total energy: -285.515362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.515362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.515362 (E_RNA)
where:
Base-Base interactions energy: -97.010
where: short stacking energy: -79.935
Base-Backbone interact. energy: 1.820
local terms energy: -190.325933
where:
bonds (distance) C4'-P energy: -57.819
bonds (distance) P-C4' energy: -61.254
flat angles C4'-P-C4' energy: -59.212
flat angles P-C4'-P energy: -30.861
tors. eta vs tors. theta energy: 18.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 266
Temperature: 1.350000
Total energy: -261.195668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.195668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.195668 (E_RNA)
where:
Base-Base interactions energy: -78.695
where: short stacking energy: -61.714
Base-Backbone interact. energy: -1.177
local terms energy: -181.324195
where:
bonds (distance) C4'-P energy: -48.791
bonds (distance) P-C4' energy: -62.257
flat angles C4'-P-C4' energy: -40.927
flat angles P-C4'-P energy: -35.642
tors. eta vs tors. theta energy: 6.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 267
Temperature: 0.900000
Total energy: -1077.893036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1077.893036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1077.893036 (E_RNA)
where:
Base-Base interactions energy: -697.209
where: short stacking energy: -295.283
Base-Backbone interact. energy: -0.615
local terms energy: -380.068916
where:
bonds (distance) C4'-P energy: -71.943
bonds (distance) P-C4' energy: -71.848
flat angles C4'-P-C4' energy: -77.452
flat angles P-C4'-P energy: -53.106
tors. eta vs tors. theta energy: -105.720
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 267
Temperature: 0.950000
Total energy: -1030.369321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1030.369321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1030.369321 (E_RNA)
where:
Base-Base interactions energy: -663.090
where: short stacking energy: -314.653
Base-Backbone interact. energy: -0.538
local terms energy: -366.740679
where:
bonds (distance) C4'-P energy: -67.029
bonds (distance) P-C4' energy: -77.444
flat angles C4'-P-C4' energy: -66.869
flat angles P-C4'-P energy: -52.078
tors. eta vs tors. theta energy: -103.321
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: 5
=====================================
Write number: 267
Temperature: 1.000000
Total energy: -843.522659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -843.522659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -843.522659 (E_RNA)
where:
Base-Base interactions energy: -521.933
where: short stacking energy: -240.451
Base-Backbone interact. energy: -0.848
local terms energy: -320.741319
where:
bonds (distance) C4'-P energy: -73.905
bonds (distance) P-C4' energy: -63.422
flat angles C4'-P-C4' energy: -73.568
flat angles P-C4'-P energy: -45.022
tors. eta vs tors. theta energy: -64.824
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 267
Temperature: 1.050000
Total energy: -714.037265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -714.037265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -714.037265 (E_RNA)
where:
Base-Base interactions energy: -450.346
where: short stacking energy: -208.709
Base-Backbone interact. energy: 1.581
local terms energy: -265.272412
where:
bonds (distance) C4'-P energy: -66.641
bonds (distance) P-C4' energy: -63.292
flat angles C4'-P-C4' energy: -46.760
flat angles P-C4'-P energy: -48.681
tors. eta vs tors. theta energy: -39.899
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: 267
Temperature: 1.100000
Total energy: -645.465506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -645.465506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -645.465506 (E_RNA)
where:
Base-Base interactions energy: -378.569
where: short stacking energy: -170.303
Base-Backbone interact. energy: -2.183
local terms energy: -264.713013
where:
bonds (distance) C4'-P energy: -56.555
bonds (distance) P-C4' energy: -64.082
flat angles C4'-P-C4' energy: -64.681
flat angles P-C4'-P energy: -45.274
tors. eta vs tors. theta energy: -34.121
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: 6
=====================================
Write number: 267
Temperature: 1.150000
Total energy: -647.037252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -647.037252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -647.037252 (E_RNA)
where:
Base-Base interactions energy: -388.251
where: short stacking energy: -176.488
Base-Backbone interact. energy: 0.560
local terms energy: -259.346350
where:
bonds (distance) C4'-P energy: -52.802
bonds (distance) P-C4' energy: -61.660
flat angles C4'-P-C4' energy: -46.830
flat angles P-C4'-P energy: -49.969
tors. eta vs tors. theta energy: -48.086
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: 7
=====================================
Write number: 267
Temperature: 1.200000
Total energy: -357.360071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.360071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.360071 (E_RNA)
where:
Base-Base interactions energy: -121.080
where: short stacking energy: -82.905
Base-Backbone interact. energy: 0.346
local terms energy: -236.626980
where:
bonds (distance) C4'-P energy: -68.668
bonds (distance) P-C4' energy: -59.591
flat angles C4'-P-C4' energy: -60.186
flat angles P-C4'-P energy: -41.790
tors. eta vs tors. theta energy: -6.392
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 267
Temperature: 1.250000
Total energy: -328.953318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.953318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.953318 (E_RNA)
where:
Base-Base interactions energy: -133.676
where: short stacking energy: -112.227
Base-Backbone interact. energy: 0.271
local terms energy: -195.549095
where:
bonds (distance) C4'-P energy: -48.466
bonds (distance) P-C4' energy: -61.669
flat angles C4'-P-C4' energy: -47.646
flat angles P-C4'-P energy: -28.722
tors. eta vs tors. theta energy: -9.045
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: 9
=====================================
Write number: 267
Temperature: 1.300000
Total energy: -316.598173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.598173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.598173 (E_RNA)
where:
Base-Base interactions energy: -119.295
where: short stacking energy: -89.643
Base-Backbone interact. energy: -1.629
local terms energy: -195.674413
where:
bonds (distance) C4'-P energy: -62.358
bonds (distance) P-C4' energy: -63.250
flat angles C4'-P-C4' energy: -49.619
flat angles P-C4'-P energy: -30.731
tors. eta vs tors. theta energy: 10.282
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 267
Temperature: 1.350000
Total energy: -278.052607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.052607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.052607 (E_RNA)
where:
Base-Base interactions energy: -73.490
where: short stacking energy: -56.081
Base-Backbone interact. energy: -0.712
local terms energy: -203.851377
where:
bonds (distance) C4'-P energy: -54.575
bonds (distance) P-C4' energy: -64.051
flat angles C4'-P-C4' energy: -52.269
flat angles P-C4'-P energy: -35.593
tors. eta vs tors. theta energy: 2.636
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 268
Temperature: 0.900000
Total energy: -1059.189390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1059.189390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1059.189390 (E_RNA)
where:
Base-Base interactions energy: -691.352
where: short stacking energy: -333.531
Base-Backbone interact. energy: -1.592
local terms energy: -366.245701
where:
bonds (distance) C4'-P energy: -61.989
bonds (distance) P-C4' energy: -79.212
flat angles C4'-P-C4' energy: -77.076
flat angles P-C4'-P energy: -41.008
tors. eta vs tors. theta energy: -106.960
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 268
Temperature: 0.950000
Total energy: -1042.985769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1042.985769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1042.985769 (E_RNA)
where:
Base-Base interactions energy: -682.021
where: short stacking energy: -315.571
Base-Backbone interact. energy: 1.522
local terms energy: -362.486693
where:
bonds (distance) C4'-P energy: -74.807
bonds (distance) P-C4' energy: -65.927
flat angles C4'-P-C4' energy: -69.110
flat angles P-C4'-P energy: -46.405
tors. eta vs tors. theta energy: -106.238
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 268
Temperature: 1.000000
Total energy: -864.808685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -864.808685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -864.808685 (E_RNA)
where:
Base-Base interactions energy: -534.833
where: short stacking energy: -232.180
Base-Backbone interact. energy: -1.381
local terms energy: -328.594785
where:
bonds (distance) C4'-P energy: -58.611
bonds (distance) P-C4' energy: -78.748
flat angles C4'-P-C4' energy: -66.289
flat angles P-C4'-P energy: -49.901
tors. eta vs tors. theta energy: -75.046
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: 4, replica: 3
=====================================
Write number: 268
Temperature: 1.050000
Total energy: -745.267008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -745.267008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -745.267008 (E_RNA)
where:
Base-Base interactions energy: -448.156
where: short stacking energy: -207.276
Base-Backbone interact. energy: -0.641
local terms energy: -296.470025
where:
bonds (distance) C4'-P energy: -72.941
bonds (distance) P-C4' energy: -74.760
flat angles C4'-P-C4' energy: -66.966
flat angles P-C4'-P energy: -32.818
tors. eta vs tors. theta energy: -48.985
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 268
Temperature: 1.100000
Total energy: -652.580608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -652.580608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -652.580608 (E_RNA)
where:
Base-Base interactions energy: -377.772
where: short stacking energy: -173.304
Base-Backbone interact. energy: -0.225
local terms energy: -274.583566
where:
bonds (distance) C4'-P energy: -63.988
bonds (distance) P-C4' energy: -66.516
flat angles C4'-P-C4' energy: -66.240
flat angles P-C4'-P energy: -48.796
tors. eta vs tors. theta energy: -29.045
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: 6
=====================================
Write number: 268
Temperature: 1.150000
Total energy: -588.101102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -588.101102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -588.101102 (E_RNA)
where:
Base-Base interactions energy: -375.186
where: short stacking energy: -181.573
Base-Backbone interact. energy: -1.425
local terms energy: -211.490457
where:
bonds (distance) C4'-P energy: -54.450
bonds (distance) P-C4' energy: -36.783
flat angles C4'-P-C4' energy: -56.009
flat angles P-C4'-P energy: -34.765
tors. eta vs tors. theta energy: -29.483
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 268
Temperature: 1.200000
Total energy: -343.650153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.650153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.650153 (E_RNA)
where:
Base-Base interactions energy: -118.726
where: short stacking energy: -98.206
Base-Backbone interact. energy: -0.079
local terms energy: -224.845947
where:
bonds (distance) C4'-P energy: -64.335
bonds (distance) P-C4' energy: -61.873
flat angles C4'-P-C4' energy: -55.754
flat angles P-C4'-P energy: -36.539
tors. eta vs tors. theta energy: -6.344
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: 8, replica: 10
=====================================
Write number: 268
Temperature: 1.250000
Total energy: -329.065812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.065812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.065812 (E_RNA)
where:
Base-Base interactions energy: -146.104
where: short stacking energy: -88.145
Base-Backbone interact. energy: 0.533
local terms energy: -183.494845
where:
bonds (distance) C4'-P energy: -51.522
bonds (distance) P-C4' energy: -59.972
flat angles C4'-P-C4' energy: -48.017
flat angles P-C4'-P energy: -37.394
tors. eta vs tors. theta energy: 13.410
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: 8
=====================================
Write number: 268
Temperature: 1.300000
Total energy: -295.748249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.748249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.748249 (E_RNA)
where:
Base-Base interactions energy: -93.606
where: short stacking energy: -74.261
Base-Backbone interact. energy: -0.791
local terms energy: -201.351610
where:
bonds (distance) C4'-P energy: -57.304
bonds (distance) P-C4' energy: -57.226
flat angles C4'-P-C4' energy: -57.069
flat angles P-C4'-P energy: -33.922
tors. eta vs tors. theta energy: 4.169
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 268
Temperature: 1.350000
Total energy: -274.306215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.306215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.306215 (E_RNA)
where:
Base-Base interactions energy: -82.374
where: short stacking energy: -80.952
Base-Backbone interact. energy: -1.176
local terms energy: -190.756453
where:
bonds (distance) C4'-P energy: -64.271
bonds (distance) P-C4' energy: -63.298
flat angles C4'-P-C4' energy: -48.562
flat angles P-C4'-P energy: -21.206
tors. eta vs tors. theta energy: 6.580
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 269
Temperature: 0.900000
Total energy: -1069.560730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1069.560730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1069.560730 (E_RNA)
where:
Base-Base interactions energy: -704.477
where: short stacking energy: -318.832
Base-Backbone interact. energy: -1.813
local terms energy: -363.270093
where:
bonds (distance) C4'-P energy: -68.252
bonds (distance) P-C4' energy: -70.184
flat angles C4'-P-C4' energy: -74.233
flat angles P-C4'-P energy: -45.654
tors. eta vs tors. theta energy: -104.947
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: 4
=====================================
Write number: 269
Temperature: 0.950000
Total energy: -1063.093260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1063.093260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1063.093260 (E_RNA)
where:
Base-Base interactions energy: -700.890
where: short stacking energy: -303.435
Base-Backbone interact. energy: -0.489
local terms energy: -361.713837
where:
bonds (distance) C4'-P energy: -68.521
bonds (distance) P-C4' energy: -74.575
flat angles C4'-P-C4' energy: -69.247
flat angles P-C4'-P energy: -46.751
tors. eta vs tors. theta energy: -102.621
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 269
Temperature: 1.000000
Total energy: -884.727607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -884.727607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -884.727607 (E_RNA)
where:
Base-Base interactions energy: -574.771
where: short stacking energy: -264.861
Base-Backbone interact. energy: 0.615
local terms energy: -310.570992
where:
bonds (distance) C4'-P energy: -57.629
bonds (distance) P-C4' energy: -60.961
flat angles C4'-P-C4' energy: -64.671
flat angles P-C4'-P energy: -51.427
tors. eta vs tors. theta energy: -75.883
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 269
Temperature: 1.050000
Total energy: -774.878430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -774.878430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -774.878430 (E_RNA)
where:
Base-Base interactions energy: -462.042
where: short stacking energy: -213.506
Base-Backbone interact. energy: 4.728
local terms energy: -317.564097
where:
bonds (distance) C4'-P energy: -68.678
bonds (distance) P-C4' energy: -73.272
flat angles C4'-P-C4' energy: -71.929
flat angles P-C4'-P energy: -49.531
tors. eta vs tors. theta energy: -54.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 269
Temperature: 1.100000
Total energy: -680.388007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -680.388007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -680.388007 (E_RNA)
where:
Base-Base interactions energy: -388.345
where: short stacking energy: -184.877
Base-Backbone interact. energy: -0.092
local terms energy: -291.950100
where:
bonds (distance) C4'-P energy: -63.705
bonds (distance) P-C4' energy: -54.808
flat angles C4'-P-C4' energy: -71.831
flat angles P-C4'-P energy: -43.758
tors. eta vs tors. theta energy: -57.849
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: 6, replica: 6
=====================================
Write number: 269
Temperature: 1.150000
Total energy: -578.175946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -578.175946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -578.175946 (E_RNA)
where:
Base-Base interactions energy: -323.354
where: short stacking energy: -172.032
Base-Backbone interact. energy: 1.076
local terms energy: -255.898238
where:
bonds (distance) C4'-P energy: -66.823
bonds (distance) P-C4' energy: -66.338
flat angles C4'-P-C4' energy: -48.308
flat angles P-C4'-P energy: -26.838
tors. eta vs tors. theta energy: -47.592
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: 7
=====================================
Write number: 269
Temperature: 1.200000
Total energy: -345.734475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.734475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.734475 (E_RNA)
where:
Base-Base interactions energy: -153.341
where: short stacking energy: -119.067
Base-Backbone interact. energy: -0.424
local terms energy: -191.969878
where:
bonds (distance) C4'-P energy: -60.211
bonds (distance) P-C4' energy: -51.944
flat angles C4'-P-C4' energy: -51.804
flat angles P-C4'-P energy: -29.076
tors. eta vs tors. theta energy: 1.064
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 269
Temperature: 1.250000
Total energy: -298.562514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.562514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.562514 (E_RNA)
where:
Base-Base interactions energy: -112.282
where: short stacking energy: -86.690
Base-Backbone interact. energy: -0.523
local terms energy: -185.758374
where:
bonds (distance) C4'-P energy: -64.126
bonds (distance) P-C4' energy: -58.660
flat angles C4'-P-C4' energy: -40.647
flat angles P-C4'-P energy: -35.749
tors. eta vs tors. theta energy: 13.424
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: 10
=====================================
Write number: 269
Temperature: 1.300000
Total energy: -293.498596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.498596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.498596 (E_RNA)
where:
Base-Base interactions energy: -96.633
where: short stacking energy: -83.861
Base-Backbone interact. energy: 4.482
local terms energy: -201.348236
where:
bonds (distance) C4'-P energy: -60.787
bonds (distance) P-C4' energy: -62.466
flat angles C4'-P-C4' energy: -41.771
flat angles P-C4'-P energy: -35.793
tors. eta vs tors. theta energy: -0.532
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: 9
=====================================
Write number: 269
Temperature: 1.350000
Total energy: -264.777758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.777758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.777758 (E_RNA)
where:
Base-Base interactions energy: -71.631
where: short stacking energy: -59.490
Base-Backbone interact. energy: -2.182
local terms energy: -190.963811
where:
bonds (distance) C4'-P energy: -49.682
bonds (distance) P-C4' energy: -56.602
flat angles C4'-P-C4' energy: -61.268
flat angles P-C4'-P energy: -33.965
tors. eta vs tors. theta energy: 10.553
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 270
Temperature: 0.900000
Total energy: -1053.555872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1053.555872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1053.555872 (E_RNA)
where:
Base-Base interactions energy: -697.448
where: short stacking energy: -296.212
Base-Backbone interact. energy: -2.076
local terms energy: -354.032211
where:
bonds (distance) C4'-P energy: -70.337
bonds (distance) P-C4' energy: -62.663
flat angles C4'-P-C4' energy: -69.990
flat angles P-C4'-P energy: -46.625
tors. eta vs tors. theta energy: -104.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 270
Temperature: 0.950000
Total energy: -1074.487404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1074.487404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1074.487404 (E_RNA)
where:
Base-Base interactions energy: -699.263
where: short stacking energy: -332.556
Base-Backbone interact. energy: -1.199
local terms energy: -374.024915
where:
bonds (distance) C4'-P energy: -69.588
bonds (distance) P-C4' energy: -62.583
flat angles C4'-P-C4' energy: -78.645
flat angles P-C4'-P energy: -46.782
tors. eta vs tors. theta energy: -116.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 270
Temperature: 1.000000
Total energy: -887.724669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -887.724669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -887.724669 (E_RNA)
where:
Base-Base interactions energy: -560.990
where: short stacking energy: -263.058
Base-Backbone interact. energy: -0.678
local terms energy: -326.056625
where:
bonds (distance) C4'-P energy: -57.456
bonds (distance) P-C4' energy: -65.781
flat angles C4'-P-C4' energy: -77.623
flat angles P-C4'-P energy: -47.513
tors. eta vs tors. theta energy: -77.683
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 270
Temperature: 1.050000
Total energy: -787.561698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -787.561698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -787.561698 (E_RNA)
where:
Base-Base interactions energy: -512.270
where: short stacking energy: -237.530
Base-Backbone interact. energy: -1.418
local terms energy: -273.874455
where:
bonds (distance) C4'-P energy: -55.535
bonds (distance) P-C4' energy: -57.864
flat angles C4'-P-C4' energy: -60.544
flat angles P-C4'-P energy: -45.802
tors. eta vs tors. theta energy: -54.129
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 270
Temperature: 1.100000
Total energy: -610.198675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -610.198675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -610.198675 (E_RNA)
where:
Base-Base interactions energy: -332.838
where: short stacking energy: -146.209
Base-Backbone interact. energy: -2.321
local terms energy: -275.039592
where:
bonds (distance) C4'-P energy: -65.576
bonds (distance) P-C4' energy: -66.822
flat angles C4'-P-C4' energy: -72.497
flat angles P-C4'-P energy: -39.838
tors. eta vs tors. theta energy: -30.307
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 270
Temperature: 1.150000
Total energy: -553.441986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -553.441986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -553.441986 (E_RNA)
where:
Base-Base interactions energy: -290.881
where: short stacking energy: -170.763
Base-Backbone interact. energy: -1.316
local terms energy: -261.245025
where:
bonds (distance) C4'-P energy: -59.905
bonds (distance) P-C4' energy: -68.709
flat angles C4'-P-C4' energy: -58.887
flat angles P-C4'-P energy: -38.544
tors. eta vs tors. theta energy: -35.200
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: 8
=====================================
Write number: 270
Temperature: 1.200000
Total energy: -353.596243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.596243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.596243 (E_RNA)
where:
Base-Base interactions energy: -123.376
where: short stacking energy: -91.495
Base-Backbone interact. energy: -0.057
local terms energy: -230.162919
where:
bonds (distance) C4'-P energy: -61.814
bonds (distance) P-C4' energy: -74.350
flat angles C4'-P-C4' energy: -59.274
flat angles P-C4'-P energy: -38.237
tors. eta vs tors. theta energy: 3.512
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 270
Temperature: 1.250000
Total energy: -327.157566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.157566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.157566 (E_RNA)
where:
Base-Base interactions energy: -135.237
where: short stacking energy: -86.338
Base-Backbone interact. energy: -0.707
local terms energy: -191.212728
where:
bonds (distance) C4'-P energy: -46.031
bonds (distance) P-C4' energy: -58.116
flat angles C4'-P-C4' energy: -59.502
flat angles P-C4'-P energy: -27.132
tors. eta vs tors. theta energy: -0.432
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: 9, replica: 9
=====================================
Write number: 270
Temperature: 1.300000
Total energy: -290.392004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.392004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.392004 (E_RNA)
where:
Base-Base interactions energy: -79.783
where: short stacking energy: -67.415
Base-Backbone interact. energy: 1.715
local terms energy: -212.324793
where:
bonds (distance) C4'-P energy: -56.278
bonds (distance) P-C4' energy: -63.911
flat angles C4'-P-C4' energy: -65.795
flat angles P-C4'-P energy: -34.965
tors. eta vs tors. theta energy: 8.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 270
Temperature: 1.350000
Total energy: -297.101880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.101880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.101880 (E_RNA)
where:
Base-Base interactions energy: -120.910
where: short stacking energy: -83.132
Base-Backbone interact. energy: -0.822
local terms energy: -175.369820
where:
bonds (distance) C4'-P energy: -31.241
bonds (distance) P-C4' energy: -62.205
flat angles C4'-P-C4' energy: -48.059
flat angles P-C4'-P energy: -32.980
tors. eta vs tors. theta energy: -0.885
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: 1
=====================================
Write number: 271
Temperature: 0.900000
Total energy: -1042.677517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1042.677517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1042.677517 (E_RNA)
where:
Base-Base interactions energy: -696.284
where: short stacking energy: -306.760
Base-Backbone interact. energy: 0.922
local terms energy: -347.315378
where:
bonds (distance) C4'-P energy: -66.754
bonds (distance) P-C4' energy: -75.145
flat angles C4'-P-C4' energy: -66.060
flat angles P-C4'-P energy: -44.703
tors. eta vs tors. theta energy: -94.653
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: 4
=====================================
Write number: 271
Temperature: 0.950000
Total energy: -1053.833439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1053.833439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1053.833439 (E_RNA)
where:
Base-Base interactions energy: -669.278
where: short stacking energy: -314.032
Base-Backbone interact. energy: -0.455
local terms energy: -384.101009
where:
bonds (distance) C4'-P energy: -72.882
bonds (distance) P-C4' energy: -74.380
flat angles C4'-P-C4' energy: -76.677
flat angles P-C4'-P energy: -50.033
tors. eta vs tors. theta energy: -110.129
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 271
Temperature: 1.000000
Total energy: -897.242192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -897.242192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -897.242192 (E_RNA)
where:
Base-Base interactions energy: -558.530
where: short stacking energy: -260.960
Base-Backbone interact. energy: -2.129
local terms energy: -336.582966
where:
bonds (distance) C4'-P energy: -64.111
bonds (distance) P-C4' energy: -72.538
flat angles C4'-P-C4' energy: -61.555
flat angles P-C4'-P energy: -55.137
tors. eta vs tors. theta energy: -83.243
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 271
Temperature: 1.050000
Total energy: -739.551987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -739.551987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -739.551987 (E_RNA)
where:
Base-Base interactions energy: -468.797
where: short stacking energy: -209.845
Base-Backbone interact. energy: 3.427
local terms energy: -274.182643
where:
bonds (distance) C4'-P energy: -68.978
bonds (distance) P-C4' energy: -54.544
flat angles C4'-P-C4' energy: -60.028
flat angles P-C4'-P energy: -47.721
tors. eta vs tors. theta energy: -42.911
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: 2
=====================================
Write number: 271
Temperature: 1.100000
Total energy: -652.989257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -652.989257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -652.989257 (E_RNA)
where:
Base-Base interactions energy: -398.515
where: short stacking energy: -181.026
Base-Backbone interact. energy: -0.946
local terms energy: -253.528604
where:
bonds (distance) C4'-P energy: -51.032
bonds (distance) P-C4' energy: -64.827
flat angles C4'-P-C4' energy: -61.207
flat angles P-C4'-P energy: -39.854
tors. eta vs tors. theta energy: -36.609
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: 6, replica: 6
=====================================
Write number: 271
Temperature: 1.150000
Total energy: -571.970926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -571.970926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -571.970926 (E_RNA)
where:
Base-Base interactions energy: -328.161
where: short stacking energy: -164.919
Base-Backbone interact. energy: -2.502
local terms energy: -241.307578
where:
bonds (distance) C4'-P energy: -58.578
bonds (distance) P-C4' energy: -54.228
flat angles C4'-P-C4' energy: -59.922
flat angles P-C4'-P energy: -32.782
tors. eta vs tors. theta energy: -35.798
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 271
Temperature: 1.200000
Total energy: -323.473670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.473670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.473670 (E_RNA)
where:
Base-Base interactions energy: -115.015
where: short stacking energy: -88.243
Base-Backbone interact. energy: 3.321
local terms energy: -211.780131
where:
bonds (distance) C4'-P energy: -59.413
bonds (distance) P-C4' energy: -61.989
flat angles C4'-P-C4' energy: -59.968
flat angles P-C4'-P energy: -33.137
tors. eta vs tors. theta energy: 2.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 271
Temperature: 1.250000
Total energy: -330.094489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.094489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.094489 (E_RNA)
where:
Base-Base interactions energy: -129.648
where: short stacking energy: -106.893
Base-Backbone interact. energy: -1.467
local terms energy: -198.979830
where:
bonds (distance) C4'-P energy: -58.364
bonds (distance) P-C4' energy: -52.108
flat angles C4'-P-C4' energy: -51.037
flat angles P-C4'-P energy: -21.388
tors. eta vs tors. theta energy: -16.083
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: 7
=====================================
Write number: 271
Temperature: 1.300000
Total energy: -290.616960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.616960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.616960 (E_RNA)
where:
Base-Base interactions energy: -103.763
where: short stacking energy: -96.015
Base-Backbone interact. energy: -0.686
local terms energy: -186.167741
where:
bonds (distance) C4'-P energy: -57.344
bonds (distance) P-C4' energy: -58.741
flat angles C4'-P-C4' energy: -47.512
flat angles P-C4'-P energy: -23.381
tors. eta vs tors. theta energy: 0.811
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 271
Temperature: 1.350000
Total energy: -256.228459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.228459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.228459 (E_RNA)
where:
Base-Base interactions energy: -92.932
where: short stacking energy: -71.379
Base-Backbone interact. energy: -0.985
local terms energy: -162.312107
where:
bonds (distance) C4'-P energy: -60.796
bonds (distance) P-C4' energy: -52.348
flat angles C4'-P-C4' energy: -40.314
flat angles P-C4'-P energy: -19.506
tors. eta vs tors. theta energy: 10.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 272
Temperature: 0.900000
Total energy: -1091.223955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1091.223955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1091.223955 (E_RNA)
where:
Base-Base interactions energy: -708.464
where: short stacking energy: -328.260
Base-Backbone interact. energy: -1.867
local terms energy: -380.892870
where:
bonds (distance) C4'-P energy: -69.626
bonds (distance) P-C4' energy: -79.819
flat angles C4'-P-C4' energy: -72.286
flat angles P-C4'-P energy: -50.599
tors. eta vs tors. theta energy: -108.562
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: 2, replica: 1
=====================================
Write number: 272
Temperature: 0.950000
Total energy: -1010.873370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1010.873370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1010.873370 (E_RNA)
where:
Base-Base interactions energy: -678.103
where: short stacking energy: -298.908
Base-Backbone interact. energy: -0.448
local terms energy: -332.322297
where:
bonds (distance) C4'-P energy: -61.595
bonds (distance) P-C4' energy: -60.419
flat angles C4'-P-C4' energy: -75.872
flat angles P-C4'-P energy: -39.897
tors. eta vs tors. theta energy: -94.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 272
Temperature: 1.000000
Total energy: -889.668713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -889.668713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -889.668713 (E_RNA)
where:
Base-Base interactions energy: -551.155
where: short stacking energy: -264.031
Base-Backbone interact. energy: -4.187
local terms energy: -334.326729
where:
bonds (distance) C4'-P energy: -59.017
bonds (distance) P-C4' energy: -75.871
flat angles C4'-P-C4' energy: -62.304
flat angles P-C4'-P energy: -48.534
tors. eta vs tors. theta energy: -88.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 272
Temperature: 1.050000
Total energy: -763.384673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -763.384673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -763.384673 (E_RNA)
where:
Base-Base interactions energy: -474.361
where: short stacking energy: -207.396
Base-Backbone interact. energy: -2.343
local terms energy: -286.680517
where:
bonds (distance) C4'-P energy: -65.459
bonds (distance) P-C4' energy: -69.722
flat angles C4'-P-C4' energy: -64.871
flat angles P-C4'-P energy: -31.451
tors. eta vs tors. theta energy: -55.177
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: 2
=====================================
Write number: 272
Temperature: 1.100000
Total energy: -637.219878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -637.219878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -637.219878 (E_RNA)
where:
Base-Base interactions energy: -365.995
where: short stacking energy: -170.082
Base-Backbone interact. energy: 2.275
local terms energy: -273.500411
where:
bonds (distance) C4'-P energy: -59.103
bonds (distance) P-C4' energy: -65.885
flat angles C4'-P-C4' energy: -75.568
flat angles P-C4'-P energy: -40.592
tors. eta vs tors. theta energy: -32.352
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: 6
=====================================
Write number: 272
Temperature: 1.150000
Total energy: -506.427838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.427838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.427838 (E_RNA)
where:
Base-Base interactions energy: -261.532
where: short stacking energy: -132.943
Base-Backbone interact. energy: -0.475
local terms energy: -244.421005
where:
bonds (distance) C4'-P energy: -69.622
bonds (distance) P-C4' energy: -65.151
flat angles C4'-P-C4' energy: -63.856
flat angles P-C4'-P energy: -29.800
tors. eta vs tors. theta energy: -15.992
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: 7, replica: 8
=====================================
Write number: 272
Temperature: 1.200000
Total energy: -345.238394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.238394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.238394 (E_RNA)
where:
Base-Base interactions energy: -121.337
where: short stacking energy: -97.442
Base-Backbone interact. energy: -1.302
local terms energy: -222.599609
where:
bonds (distance) C4'-P energy: -52.482
bonds (distance) P-C4' energy: -68.989
flat angles C4'-P-C4' energy: -60.022
flat angles P-C4'-P energy: -32.203
tors. eta vs tors. theta energy: -8.904
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 272
Temperature: 1.250000
Total energy: -324.635688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.635688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.635688 (E_RNA)
where:
Base-Base interactions energy: -124.752
where: short stacking energy: -91.515
Base-Backbone interact. energy: -1.297
local terms energy: -198.586850
where:
bonds (distance) C4'-P energy: -48.142
bonds (distance) P-C4' energy: -66.165
flat angles C4'-P-C4' energy: -55.412
flat angles P-C4'-P energy: -30.762
tors. eta vs tors. theta energy: 1.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 272
Temperature: 1.300000
Total energy: -280.306414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.306414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.306414 (E_RNA)
where:
Base-Base interactions energy: -80.462
where: short stacking energy: -73.850
Base-Backbone interact. energy: -1.466
local terms energy: -198.378460
where:
bonds (distance) C4'-P energy: -62.839
bonds (distance) P-C4' energy: -57.701
flat angles C4'-P-C4' energy: -60.973
flat angles P-C4'-P energy: -33.777
tors. eta vs tors. theta energy: 16.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 272
Temperature: 1.350000
Total energy: -311.261495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.261495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.261495 (E_RNA)
where:
Base-Base interactions energy: -141.010
where: short stacking energy: -92.253
Base-Backbone interact. energy: -2.106
local terms energy: -168.145114
where:
bonds (distance) C4'-P energy: -47.141
bonds (distance) P-C4' energy: -56.605
flat angles C4'-P-C4' energy: -37.689
flat angles P-C4'-P energy: -34.745
tors. eta vs tors. theta energy: 8.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 273
Temperature: 0.900000
Total energy: -1088.496752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1088.496752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1088.496752 (E_RNA)
where:
Base-Base interactions energy: -728.720
where: short stacking energy: -327.179
Base-Backbone interact. energy: -0.543
local terms energy: -359.234440
where:
bonds (distance) C4'-P energy: -66.992
bonds (distance) P-C4' energy: -70.560
flat angles C4'-P-C4' energy: -64.183
flat angles P-C4'-P energy: -50.215
tors. eta vs tors. theta energy: -107.284
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 273
Temperature: 0.950000
Total energy: -1030.962551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1030.962551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1030.962551 (E_RNA)
where:
Base-Base interactions energy: -676.713
where: short stacking energy: -297.556
Base-Backbone interact. energy: -0.683
local terms energy: -353.566899
where:
bonds (distance) C4'-P energy: -71.346
bonds (distance) P-C4' energy: -63.884
flat angles C4'-P-C4' energy: -66.758
flat angles P-C4'-P energy: -49.986
tors. eta vs tors. theta energy: -101.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 273
Temperature: 1.000000
Total energy: -891.033464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -891.033464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -891.033464 (E_RNA)
where:
Base-Base interactions energy: -569.559
where: short stacking energy: -257.236
Base-Backbone interact. energy: -1.997
local terms energy: -319.477440
where:
bonds (distance) C4'-P energy: -68.959
bonds (distance) P-C4' energy: -58.256
flat angles C4'-P-C4' energy: -66.555
flat angles P-C4'-P energy: -50.815
tors. eta vs tors. theta energy: -74.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 273
Temperature: 1.050000
Total energy: -793.316860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -793.316860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -793.316860 (E_RNA)
where:
Base-Base interactions energy: -502.210
where: short stacking energy: -215.338
Base-Backbone interact. energy: -0.206
local terms energy: -290.901255
where:
bonds (distance) C4'-P energy: -56.454
bonds (distance) P-C4' energy: -66.143
flat angles C4'-P-C4' energy: -70.305
flat angles P-C4'-P energy: -46.209
tors. eta vs tors. theta energy: -51.790
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 273
Temperature: 1.100000
Total energy: -613.201372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -613.201372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -613.201372 (E_RNA)
where:
Base-Base interactions energy: -347.466
where: short stacking energy: -191.112
Base-Backbone interact. energy: -1.501
local terms energy: -264.233906
where:
bonds (distance) C4'-P energy: -58.360
bonds (distance) P-C4' energy: -69.295
flat angles C4'-P-C4' energy: -55.647
flat angles P-C4'-P energy: -39.922
tors. eta vs tors. theta energy: -41.010
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: 6
=====================================
Write number: 273
Temperature: 1.150000
Total energy: -505.329895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.329895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.329895 (E_RNA)
where:
Base-Base interactions energy: -260.832
where: short stacking energy: -118.493
Base-Backbone interact. energy: 0.047
local terms energy: -244.544880
where:
bonds (distance) C4'-P energy: -60.932
bonds (distance) P-C4' energy: -68.922
flat angles C4'-P-C4' energy: -70.127
flat angles P-C4'-P energy: -33.207
tors. eta vs tors. theta energy: -11.356
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 273
Temperature: 1.200000
Total energy: -357.276207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.276207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.276207 (E_RNA)
where:
Base-Base interactions energy: -144.780
where: short stacking energy: -106.414
Base-Backbone interact. energy: 8.715
local terms energy: -221.211836
where:
bonds (distance) C4'-P energy: -57.742
bonds (distance) P-C4' energy: -72.215
flat angles C4'-P-C4' energy: -56.728
flat angles P-C4'-P energy: -33.350
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: 8, replica: 9
=====================================
Write number: 273
Temperature: 1.250000
Total energy: -301.437473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.437473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.437473 (E_RNA)
where:
Base-Base interactions energy: -111.720
where: short stacking energy: -83.430
Base-Backbone interact. energy: -0.855
local terms energy: -188.863039
where:
bonds (distance) C4'-P energy: -56.544
bonds (distance) P-C4' energy: -60.507
flat angles C4'-P-C4' energy: -46.221
flat angles P-C4'-P energy: -37.146
tors. eta vs tors. theta energy: 11.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 273
Temperature: 1.300000
Total energy: -287.197250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.197250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.197250 (E_RNA)
where:
Base-Base interactions energy: -101.808
where: short stacking energy: -78.142
Base-Backbone interact. energy: -1.530
local terms energy: -183.859341
where:
bonds (distance) C4'-P energy: -60.520
bonds (distance) P-C4' energy: -66.897
flat angles C4'-P-C4' energy: -39.416
flat angles P-C4'-P energy: -25.525
tors. eta vs tors. theta energy: 8.498
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 273
Temperature: 1.350000
Total energy: -274.719811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.719811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.719811 (E_RNA)
where:
Base-Base interactions energy: -88.492
where: short stacking energy: -67.848
Base-Backbone interact. energy: 0.409
local terms energy: -186.636175
where:
bonds (distance) C4'-P energy: -65.851
bonds (distance) P-C4' energy: -57.476
flat angles C4'-P-C4' energy: -38.980
flat angles P-C4'-P energy: -34.692
tors. eta vs tors. theta energy: 10.363
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 274
Temperature: 0.900000
Total energy: -1070.920152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1070.920152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1070.920152 (E_RNA)
where:
Base-Base interactions energy: -705.907
where: short stacking energy: -313.418
Base-Backbone interact. energy: -0.108
local terms energy: -364.905457
where:
bonds (distance) C4'-P energy: -67.309
bonds (distance) P-C4' energy: -62.300
flat angles C4'-P-C4' energy: -76.821
flat angles P-C4'-P energy: -48.705
tors. eta vs tors. theta energy: -109.771
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: 1
=====================================
Write number: 274
Temperature: 0.950000
Total energy: -1012.362603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1012.362603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1012.362603 (E_RNA)
where:
Base-Base interactions energy: -657.513
where: short stacking energy: -308.224
Base-Backbone interact. energy: -1.304
local terms energy: -353.545800
where:
bonds (distance) C4'-P energy: -63.068
bonds (distance) P-C4' energy: -59.179
flat angles C4'-P-C4' energy: -69.233
flat angles P-C4'-P energy: -51.664
tors. eta vs tors. theta energy: -110.401
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 274
Temperature: 1.000000
Total energy: -870.441171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -870.441171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -870.441171 (E_RNA)
where:
Base-Base interactions energy: -548.409
where: short stacking energy: -258.444
Base-Backbone interact. energy: -2.621
local terms energy: -319.410929
where:
bonds (distance) C4'-P energy: -65.093
bonds (distance) P-C4' energy: -59.140
flat angles C4'-P-C4' energy: -72.145
flat angles P-C4'-P energy: -45.246
tors. eta vs tors. theta energy: -77.786
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 274
Temperature: 1.050000
Total energy: -756.709357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -756.709357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -756.709357 (E_RNA)
where:
Base-Base interactions energy: -462.654
where: short stacking energy: -225.048
Base-Backbone interact. energy: 3.080
local terms energy: -297.135587
where:
bonds (distance) C4'-P energy: -69.169
bonds (distance) P-C4' energy: -59.794
flat angles C4'-P-C4' energy: -64.271
flat angles P-C4'-P energy: -46.607
tors. eta vs tors. theta energy: -57.294
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 274
Temperature: 1.100000
Total energy: -612.849682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -612.849682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -612.849682 (E_RNA)
where:
Base-Base interactions energy: -339.146
where: short stacking energy: -187.973
Base-Backbone interact. energy: -1.022
local terms energy: -272.681932
where:
bonds (distance) C4'-P energy: -53.077
bonds (distance) P-C4' energy: -62.852
flat angles C4'-P-C4' energy: -70.100
flat angles P-C4'-P energy: -43.434
tors. eta vs tors. theta energy: -43.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 274
Temperature: 1.150000
Total energy: -540.972474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.972474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.972474 (E_RNA)
where:
Base-Base interactions energy: -288.624
where: short stacking energy: -139.559
Base-Backbone interact. energy: -1.203
local terms energy: -251.144719
where:
bonds (distance) C4'-P energy: -48.985
bonds (distance) P-C4' energy: -70.271
flat angles C4'-P-C4' energy: -67.029
flat angles P-C4'-P energy: -34.008
tors. eta vs tors. theta energy: -30.850
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 274
Temperature: 1.200000
Total energy: -338.656637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.656637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.656637 (E_RNA)
where:
Base-Base interactions energy: -130.874
where: short stacking energy: -102.911
Base-Backbone interact. energy: 2.766
local terms energy: -210.548456
where:
bonds (distance) C4'-P energy: -57.036
bonds (distance) P-C4' energy: -65.040
flat angles C4'-P-C4' energy: -47.650
flat angles P-C4'-P energy: -38.477
tors. eta vs tors. theta energy: -2.345
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 274
Temperature: 1.250000
Total energy: -306.579834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.579834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.579834 (E_RNA)
where:
Base-Base interactions energy: -82.848
where: short stacking energy: -69.797
Base-Backbone interact. energy: -1.167
local terms energy: -222.564466
where:
bonds (distance) C4'-P energy: -53.260
bonds (distance) P-C4' energy: -66.879
flat angles C4'-P-C4' energy: -67.050
flat angles P-C4'-P energy: -35.598
tors. eta vs tors. theta energy: 0.222
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: 10
=====================================
Write number: 274
Temperature: 1.300000
Total energy: -324.391024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.391024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.391024 (E_RNA)
where:
Base-Base interactions energy: -118.644
where: short stacking energy: -95.599
Base-Backbone interact. energy: -2.328
local terms energy: -203.418768
where:
bonds (distance) C4'-P energy: -58.295
bonds (distance) P-C4' energy: -55.430
flat angles C4'-P-C4' energy: -57.333
flat angles P-C4'-P energy: -33.017
tors. eta vs tors. theta energy: 0.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 274
Temperature: 1.350000
Total energy: -296.217731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.217731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.217731 (E_RNA)
where:
Base-Base interactions energy: -113.530
where: short stacking energy: -86.976
Base-Backbone interact. energy: -0.822
local terms energy: -181.865307
where:
bonds (distance) C4'-P energy: -52.191
bonds (distance) P-C4' energy: -52.583
flat angles C4'-P-C4' energy: -42.935
flat angles P-C4'-P energy: -29.334
tors. eta vs tors. theta energy: -4.822
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 275
Temperature: 0.900000
Total energy: -1055.346208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1055.346208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1055.346208 (E_RNA)
where:
Base-Base interactions energy: -682.766
where: short stacking energy: -338.059
Base-Backbone interact. energy: 0.155
local terms energy: -372.735018
where:
bonds (distance) C4'-P energy: -73.518
bonds (distance) P-C4' energy: -74.382
flat angles C4'-P-C4' energy: -72.541
flat angles P-C4'-P energy: -44.211
tors. eta vs tors. theta energy: -108.084
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: 1
=====================================
Write number: 275
Temperature: 0.950000
Total energy: -1036.414362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1036.414362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1036.414362 (E_RNA)
where:
Base-Base interactions energy: -667.628
where: short stacking energy: -296.778
Base-Backbone interact. energy: -1.513
local terms energy: -367.273136
where:
bonds (distance) C4'-P energy: -69.643
bonds (distance) P-C4' energy: -81.565
flat angles C4'-P-C4' energy: -74.805
flat angles P-C4'-P energy: -41.957
tors. eta vs tors. theta energy: -99.302
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 275
Temperature: 1.000000
Total energy: -860.585997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -860.585997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -860.585997 (E_RNA)
where:
Base-Base interactions energy: -542.032
where: short stacking energy: -264.160
Base-Backbone interact. energy: 0.832
local terms energy: -319.385304
where:
bonds (distance) C4'-P energy: -63.354
bonds (distance) P-C4' energy: -63.098
flat angles C4'-P-C4' energy: -69.931
flat angles P-C4'-P energy: -45.432
tors. eta vs tors. theta energy: -77.570
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: 3
=====================================
Write number: 275
Temperature: 1.050000
Total energy: -797.409207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -797.409207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -797.409207 (E_RNA)
where:
Base-Base interactions energy: -476.982
where: short stacking energy: -246.629
Base-Backbone interact. energy: -1.157
local terms energy: -319.270124
where:
bonds (distance) C4'-P energy: -61.731
bonds (distance) P-C4' energy: -56.228
flat angles C4'-P-C4' energy: -76.524
flat angles P-C4'-P energy: -52.271
tors. eta vs tors. theta energy: -72.517
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 275
Temperature: 1.100000
Total energy: -600.366995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -600.366995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -600.366995 (E_RNA)
where:
Base-Base interactions energy: -319.184
where: short stacking energy: -173.690
Base-Backbone interact. energy: 0.204
local terms energy: -281.387135
where:
bonds (distance) C4'-P energy: -60.705
bonds (distance) P-C4' energy: -77.297
flat angles C4'-P-C4' energy: -69.705
flat angles P-C4'-P energy: -37.566
tors. eta vs tors. theta energy: -36.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 275
Temperature: 1.150000
Total energy: -593.553824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -593.553824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -593.553824 (E_RNA)
where:
Base-Base interactions energy: -348.924
where: short stacking energy: -165.253
Base-Backbone interact. energy: 1.655
local terms energy: -246.284443
where:
bonds (distance) C4'-P energy: -56.601
bonds (distance) P-C4' energy: -69.232
flat angles C4'-P-C4' energy: -52.297
flat angles P-C4'-P energy: -43.909
tors. eta vs tors. theta energy: -24.245
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: 7, replica: 9
=====================================
Write number: 275
Temperature: 1.200000
Total energy: -351.828840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.828840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.828840 (E_RNA)
where:
Base-Base interactions energy: -150.616
where: short stacking energy: -95.056
Base-Backbone interact. energy: -1.048
local terms energy: -200.164953
where:
bonds (distance) C4'-P energy: -63.029
bonds (distance) P-C4' energy: -57.615
flat angles C4'-P-C4' energy: -47.631
flat angles P-C4'-P energy: -26.184
tors. eta vs tors. theta energy: -5.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 275
Temperature: 1.250000
Total energy: -324.334607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.334607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.334607 (E_RNA)
where:
Base-Base interactions energy: -133.571
where: short stacking energy: -100.368
Base-Backbone interact. energy: -0.002
local terms energy: -190.761337
where:
bonds (distance) C4'-P energy: -44.369
bonds (distance) P-C4' energy: -59.298
flat angles C4'-P-C4' energy: -61.436
flat angles P-C4'-P energy: -28.651
tors. eta vs tors. theta energy: 2.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 275
Temperature: 1.300000
Total energy: -296.379091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.379091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.379091 (E_RNA)
where:
Base-Base interactions energy: -104.058
where: short stacking energy: -96.579
Base-Backbone interact. energy: -2.573
local terms energy: -189.748508
where:
bonds (distance) C4'-P energy: -58.290
bonds (distance) P-C4' energy: -57.174
flat angles C4'-P-C4' energy: -48.521
flat angles P-C4'-P energy: -29.514
tors. eta vs tors. theta energy: 3.751
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: 7
=====================================
Write number: 275
Temperature: 1.350000
Total energy: -302.624317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.624317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.624317 (E_RNA)
where:
Base-Base interactions energy: -119.197
where: short stacking energy: -86.257
Base-Backbone interact. energy: -0.630
local terms energy: -182.797582
where:
bonds (distance) C4'-P energy: -50.111
bonds (distance) P-C4' energy: -61.421
flat angles C4'-P-C4' energy: -45.702
flat angles P-C4'-P energy: -32.159
tors. eta vs tors. theta energy: 6.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 276
Temperature: 0.900000
Total energy: -1088.711844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1088.711844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1088.711844 (E_RNA)
where:
Base-Base interactions energy: -719.825
where: short stacking energy: -334.808
Base-Backbone interact. energy: -1.040
local terms energy: -367.846769
where:
bonds (distance) C4'-P energy: -69.445
bonds (distance) P-C4' energy: -70.720
flat angles C4'-P-C4' energy: -73.027
flat angles P-C4'-P energy: -44.937
tors. eta vs tors. theta energy: -109.718
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 276
Temperature: 0.950000
Total energy: -1028.974039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1028.974039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1028.974039 (E_RNA)
where:
Base-Base interactions energy: -675.719
where: short stacking energy: -302.073
Base-Backbone interact. energy: -0.850
local terms energy: -352.404201
where:
bonds (distance) C4'-P energy: -63.370
bonds (distance) P-C4' energy: -72.958
flat angles C4'-P-C4' energy: -74.885
flat angles P-C4'-P energy: -43.558
tors. eta vs tors. theta energy: -97.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 276
Temperature: 1.000000
Total energy: -858.424397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -858.424397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -858.424397 (E_RNA)
where:
Base-Base interactions energy: -527.769
where: short stacking energy: -253.796
Base-Backbone interact. energy: -2.203
local terms energy: -328.452621
where:
bonds (distance) C4'-P energy: -68.893
bonds (distance) P-C4' energy: -66.735
flat angles C4'-P-C4' energy: -65.151
flat angles P-C4'-P energy: -44.485
tors. eta vs tors. theta energy: -83.188
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: 4, replica: 3
=====================================
Write number: 276
Temperature: 1.050000
Total energy: -820.491972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -820.491972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -820.491972 (E_RNA)
where:
Base-Base interactions energy: -510.489
where: short stacking energy: -242.788
Base-Backbone interact. energy: -0.569
local terms energy: -309.433772
where:
bonds (distance) C4'-P energy: -63.583
bonds (distance) P-C4' energy: -70.387
flat angles C4'-P-C4' energy: -72.127
flat angles P-C4'-P energy: -42.441
tors. eta vs tors. theta energy: -60.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 276
Temperature: 1.100000
Total energy: -610.211166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -610.211166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -610.211166 (E_RNA)
where:
Base-Base interactions energy: -343.314
where: short stacking energy: -190.104
Base-Backbone interact. energy: -0.095
local terms energy: -266.801706
where:
bonds (distance) C4'-P energy: -64.984
bonds (distance) P-C4' energy: -53.051
flat angles C4'-P-C4' energy: -62.999
flat angles P-C4'-P energy: -34.163
tors. eta vs tors. theta energy: -51.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 276
Temperature: 1.150000
Total energy: -575.124660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -575.124660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -575.124660 (E_RNA)
where:
Base-Base interactions energy: -330.778
where: short stacking energy: -171.241
Base-Backbone interact. energy: -0.103
local terms energy: -244.243783
where:
bonds (distance) C4'-P energy: -61.199
bonds (distance) P-C4' energy: -59.532
flat angles C4'-P-C4' energy: -53.668
flat angles P-C4'-P energy: -39.633
tors. eta vs tors. theta energy: -30.211
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: 276
Temperature: 1.200000
Total energy: -329.990645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.990645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.990645 (E_RNA)
where:
Base-Base interactions energy: -126.134
where: short stacking energy: -87.920
Base-Backbone interact. energy: 2.101
local terms energy: -205.958213
where:
bonds (distance) C4'-P energy: -43.118
bonds (distance) P-C4' energy: -78.863
flat angles C4'-P-C4' energy: -51.600
flat angles P-C4'-P energy: -33.207
tors. eta vs tors. theta energy: 0.829
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 276
Temperature: 1.250000
Total energy: -326.593099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.593099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.593099 (E_RNA)
where:
Base-Base interactions energy: -127.206
where: short stacking energy: -76.213
Base-Backbone interact. energy: -0.645
local terms energy: -198.742676
where:
bonds (distance) C4'-P energy: -61.921
bonds (distance) P-C4' energy: -67.269
flat angles C4'-P-C4' energy: -49.001
flat angles P-C4'-P energy: -32.199
tors. eta vs tors. theta energy: 11.648
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 276
Temperature: 1.300000
Total energy: -325.023639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.023639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.023639 (E_RNA)
where:
Base-Base interactions energy: -139.501
where: short stacking energy: -99.308
Base-Backbone interact. energy: -0.885
local terms energy: -184.638129
where:
bonds (distance) C4'-P energy: -41.937
bonds (distance) P-C4' energy: -60.802
flat angles C4'-P-C4' energy: -47.293
flat angles P-C4'-P energy: -42.741
tors. eta vs tors. theta energy: 8.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 276
Temperature: 1.350000
Total energy: -262.457144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.457144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.457144 (E_RNA)
where:
Base-Base interactions energy: -65.740
where: short stacking energy: -56.264
Base-Backbone interact. energy: -2.287
local terms energy: -194.429953
where:
bonds (distance) C4'-P energy: -50.377
bonds (distance) P-C4' energy: -60.349
flat angles C4'-P-C4' energy: -49.604
flat angles P-C4'-P energy: -40.307
tors. eta vs tors. theta energy: 6.207
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: 4
=====================================
Write number: 277
Temperature: 0.900000
Total energy: -1090.341567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1090.341567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1090.341567 (E_RNA)
where:
Base-Base interactions energy: -716.502
where: short stacking energy: -332.708
Base-Backbone interact. energy: -0.913
local terms energy: -372.926745
where:
bonds (distance) C4'-P energy: -72.446
bonds (distance) P-C4' energy: -57.584
flat angles C4'-P-C4' energy: -77.011
flat angles P-C4'-P energy: -53.722
tors. eta vs tors. theta energy: -112.164
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 277
Temperature: 0.950000
Total energy: -1047.001102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1047.001102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1047.001102 (E_RNA)
where:
Base-Base interactions energy: -673.471
where: short stacking energy: -306.246
Base-Backbone interact. energy: -0.286
local terms energy: -373.243848
where:
bonds (distance) C4'-P energy: -65.268
bonds (distance) P-C4' energy: -73.956
flat angles C4'-P-C4' energy: -74.289
flat angles P-C4'-P energy: -54.191
tors. eta vs tors. theta energy: -105.541
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 277
Temperature: 1.000000
Total energy: -855.645733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -855.645733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -855.645733 (E_RNA)
where:
Base-Base interactions energy: -537.985
where: short stacking energy: -248.059
Base-Backbone interact. energy: 0.321
local terms energy: -317.982266
where:
bonds (distance) C4'-P energy: -64.089
bonds (distance) P-C4' energy: -59.351
flat angles C4'-P-C4' energy: -70.173
flat angles P-C4'-P energy: -46.310
tors. eta vs tors. theta energy: -78.059
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: 3
=====================================
Write number: 277
Temperature: 1.050000
Total energy: -834.181828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -834.181828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -834.181828 (E_RNA)
where:
Base-Base interactions energy: -517.604
where: short stacking energy: -251.674
Base-Backbone interact. energy: -0.828
local terms energy: -315.749849
where:
bonds (distance) C4'-P energy: -59.302
bonds (distance) P-C4' energy: -63.233
flat angles C4'-P-C4' energy: -74.598
flat angles P-C4'-P energy: -44.212
tors. eta vs tors. theta energy: -74.404
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: 6
=====================================
Write number: 277
Temperature: 1.100000
Total energy: -652.236066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -652.236066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -652.236066 (E_RNA)
where:
Base-Base interactions energy: -379.737
where: short stacking energy: -172.572
Base-Backbone interact. energy: -0.075
local terms energy: -272.424152
where:
bonds (distance) C4'-P energy: -58.805
bonds (distance) P-C4' energy: -52.165
flat angles C4'-P-C4' energy: -66.688
flat angles P-C4'-P energy: -55.395
tors. eta vs tors. theta energy: -39.370
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 277
Temperature: 1.150000
Total energy: -526.790248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.790248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.790248 (E_RNA)
where:
Base-Base interactions energy: -284.135
where: short stacking energy: -151.261
Base-Backbone interact. energy: -1.717
local terms energy: -240.938441
where:
bonds (distance) C4'-P energy: -54.723
bonds (distance) P-C4' energy: -63.350
flat angles C4'-P-C4' energy: -66.444
flat angles P-C4'-P energy: -38.925
tors. eta vs tors. theta energy: -17.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 277
Temperature: 1.200000
Total energy: -360.129214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.129214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.129214 (E_RNA)
where:
Base-Base interactions energy: -151.107
where: short stacking energy: -118.907
Base-Backbone interact. energy: 2.573
local terms energy: -211.595057
where:
bonds (distance) C4'-P energy: -55.444
bonds (distance) P-C4' energy: -71.655
flat angles C4'-P-C4' energy: -54.055
flat angles P-C4'-P energy: -22.656
tors. eta vs tors. theta energy: -7.785
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: 277
Temperature: 1.250000
Total energy: -365.036823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.036823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.036823 (E_RNA)
where:
Base-Base interactions energy: -144.722
where: short stacking energy: -70.956
Base-Backbone interact. energy: 3.146
local terms energy: -223.461174
where:
bonds (distance) C4'-P energy: -57.172
bonds (distance) P-C4' energy: -67.722
flat angles C4'-P-C4' energy: -57.323
flat angles P-C4'-P energy: -37.420
tors. eta vs tors. theta energy: -3.824
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 277
Temperature: 1.300000
Total energy: -301.785045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.785045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.785045 (E_RNA)
where:
Base-Base interactions energy: -85.986
where: short stacking energy: -85.322
Base-Backbone interact. energy: -1.039
local terms energy: -214.759761
where:
bonds (distance) C4'-P energy: -62.609
bonds (distance) P-C4' energy: -63.308
flat angles C4'-P-C4' energy: -53.636
flat angles P-C4'-P energy: -33.819
tors. eta vs tors. theta energy: -1.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 277
Temperature: 1.350000
Total energy: -286.283831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.283831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.283831 (E_RNA)
where:
Base-Base interactions energy: -105.118
where: short stacking energy: -81.572
Base-Backbone interact. energy: 3.332
local terms energy: -184.497696
where:
bonds (distance) C4'-P energy: -49.556
bonds (distance) P-C4' energy: -56.612
flat angles C4'-P-C4' energy: -52.101
flat angles P-C4'-P energy: -30.588
tors. eta vs tors. theta energy: 4.359
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 278
Temperature: 0.900000
Total energy: -1093.309962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1093.309962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1093.309962 (E_RNA)
where:
Base-Base interactions energy: -724.219
where: short stacking energy: -343.915
Base-Backbone interact. energy: 1.997
local terms energy: -371.088186
where:
bonds (distance) C4'-P energy: -70.245
bonds (distance) P-C4' energy: -64.913
flat angles C4'-P-C4' energy: -76.812
flat angles P-C4'-P energy: -48.696
tors. eta vs tors. theta energy: -110.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 278
Temperature: 0.950000
Total energy: -1062.111203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1062.111203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1062.111203 (E_RNA)
where:
Base-Base interactions energy: -717.756
where: short stacking energy: -315.682
Base-Backbone interact. energy: 1.586
local terms energy: -345.940736
where:
bonds (distance) C4'-P energy: -59.775
bonds (distance) P-C4' energy: -70.658
flat angles C4'-P-C4' energy: -65.684
flat angles P-C4'-P energy: -45.901
tors. eta vs tors. theta energy: -103.923
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: 5
=====================================
Write number: 278
Temperature: 1.000000
Total energy: -875.204782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -875.204782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -875.204782 (E_RNA)
where:
Base-Base interactions energy: -557.959
where: short stacking energy: -269.195
Base-Backbone interact. energy: 1.332
local terms energy: -318.577688
where:
bonds (distance) C4'-P energy: -55.527
bonds (distance) P-C4' energy: -73.755
flat angles C4'-P-C4' energy: -68.232
flat angles P-C4'-P energy: -42.922
tors. eta vs tors. theta energy: -78.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 278
Temperature: 1.050000
Total energy: -780.220004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -780.220004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -780.220004 (E_RNA)
where:
Base-Base interactions energy: -477.020
where: short stacking energy: -215.605
Base-Backbone interact. energy: 0.118
local terms energy: -303.317843
where:
bonds (distance) C4'-P energy: -60.568
bonds (distance) P-C4' energy: -60.866
flat angles C4'-P-C4' energy: -70.604
flat angles P-C4'-P energy: -49.823
tors. eta vs tors. theta energy: -61.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 278
Temperature: 1.100000
Total energy: -619.149639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -619.149639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -619.149639 (E_RNA)
where:
Base-Base interactions energy: -360.749
where: short stacking energy: -173.152
Base-Backbone interact. energy: -0.227
local terms energy: -258.173508
where:
bonds (distance) C4'-P energy: -66.182
bonds (distance) P-C4' energy: -62.615
flat angles C4'-P-C4' energy: -61.597
flat angles P-C4'-P energy: -35.702
tors. eta vs tors. theta energy: -32.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 278
Temperature: 1.150000
Total energy: -545.197182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.197182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.197182 (E_RNA)
where:
Base-Base interactions energy: -295.269
where: short stacking energy: -163.823
Base-Backbone interact. energy: -0.808
local terms energy: -249.120884
where:
bonds (distance) C4'-P energy: -67.502
bonds (distance) P-C4' energy: -67.213
flat angles C4'-P-C4' energy: -59.851
flat angles P-C4'-P energy: -24.584
tors. eta vs tors. theta energy: -29.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 278
Temperature: 1.200000
Total energy: -327.927419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.927419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.927419 (E_RNA)
where:
Base-Base interactions energy: -128.391
where: short stacking energy: -88.930
Base-Backbone interact. energy: -1.134
local terms energy: -198.401933
where:
bonds (distance) C4'-P energy: -47.408
bonds (distance) P-C4' energy: -68.525
flat angles C4'-P-C4' energy: -52.747
flat angles P-C4'-P energy: -24.943
tors. eta vs tors. theta energy: -4.778
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 278
Temperature: 1.250000
Total energy: -332.810989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.810989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.810989 (E_RNA)
where:
Base-Base interactions energy: -121.535
where: short stacking energy: -87.577
Base-Backbone interact. energy: 1.784
local terms energy: -213.060161
where:
bonds (distance) C4'-P energy: -63.585
bonds (distance) P-C4' energy: -58.044
flat angles C4'-P-C4' energy: -52.677
flat angles P-C4'-P energy: -35.044
tors. eta vs tors. theta energy: -3.709
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 278
Temperature: 1.300000
Total energy: -299.798116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.798116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.798116 (E_RNA)
where:
Base-Base interactions energy: -85.827
where: short stacking energy: -58.507
Base-Backbone interact. energy: 2.177
local terms energy: -216.147824
where:
bonds (distance) C4'-P energy: -67.408
bonds (distance) P-C4' energy: -64.555
flat angles C4'-P-C4' energy: -67.402
flat angles P-C4'-P energy: -30.094
tors. eta vs tors. theta energy: 13.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 278
Temperature: 1.350000
Total energy: -341.532324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.532324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.532324 (E_RNA)
where:
Base-Base interactions energy: -142.209
where: short stacking energy: -72.686
Base-Backbone interact. energy: -1.200
local terms energy: -198.122789
where:
bonds (distance) C4'-P energy: -53.558
bonds (distance) P-C4' energy: -68.146
flat angles C4'-P-C4' energy: -69.338
flat angles P-C4'-P energy: -25.133
tors. eta vs tors. theta energy: 18.053
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 279
Temperature: 0.900000
Total energy: -1098.610217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1098.610217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1098.610217 (E_RNA)
where:
Base-Base interactions energy: -734.575
where: short stacking energy: -352.692
Base-Backbone interact. energy: 0.524
local terms energy: -364.558886
where:
bonds (distance) C4'-P energy: -68.338
bonds (distance) P-C4' energy: -64.943
flat angles C4'-P-C4' energy: -76.129
flat angles P-C4'-P energy: -48.100
tors. eta vs tors. theta energy: -107.048
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: 279
Temperature: 0.950000
Total energy: -1056.754470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1056.754470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1056.754470 (E_RNA)
where:
Base-Base interactions energy: -680.698
where: short stacking energy: -307.857
Base-Backbone interact. energy: 1.780
local terms energy: -377.836514
where:
bonds (distance) C4'-P energy: -67.265
bonds (distance) P-C4' energy: -76.447
flat angles C4'-P-C4' energy: -72.611
flat angles P-C4'-P energy: -53.779
tors. eta vs tors. theta energy: -107.734
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: 3, replica: 5
=====================================
Write number: 279
Temperature: 1.000000
Total energy: -883.111989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -883.111989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -883.111989 (E_RNA)
where:
Base-Base interactions energy: -566.274
where: short stacking energy: -284.156
Base-Backbone interact. energy: 2.670
local terms energy: -319.507801
where:
bonds (distance) C4'-P energy: -54.276
bonds (distance) P-C4' energy: -65.352
flat angles C4'-P-C4' energy: -73.238
flat angles P-C4'-P energy: -42.283
tors. eta vs tors. theta energy: -84.359
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 279
Temperature: 1.050000
Total energy: -781.614012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -781.614012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -781.614012 (E_RNA)
where:
Base-Base interactions energy: -480.134
where: short stacking energy: -243.319
Base-Backbone interact. energy: -1.250
local terms energy: -300.229761
where:
bonds (distance) C4'-P energy: -60.232
bonds (distance) P-C4' energy: -71.634
flat angles C4'-P-C4' energy: -59.172
flat angles P-C4'-P energy: -42.294
tors. eta vs tors. theta energy: -66.897
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 279
Temperature: 1.100000
Total energy: -619.190158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -619.190158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -619.190158 (E_RNA)
where:
Base-Base interactions energy: -358.322
where: short stacking energy: -175.828
Base-Backbone interact. energy: -3.641
local terms energy: -257.226887
where:
bonds (distance) C4'-P energy: -59.029
bonds (distance) P-C4' energy: -69.711
flat angles C4'-P-C4' energy: -57.642
flat angles P-C4'-P energy: -35.135
tors. eta vs tors. theta energy: -35.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 279
Temperature: 1.150000
Total energy: -566.945915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -566.945915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -566.945915 (E_RNA)
where:
Base-Base interactions energy: -309.064
where: short stacking energy: -165.500
Base-Backbone interact. energy: -2.039
local terms energy: -255.842603
where:
bonds (distance) C4'-P energy: -58.063
bonds (distance) P-C4' energy: -68.654
flat angles C4'-P-C4' energy: -69.407
flat angles P-C4'-P energy: -30.258
tors. eta vs tors. theta energy: -29.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 279
Temperature: 1.200000
Total energy: -339.919341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.919341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.919341 (E_RNA)
where:
Base-Base interactions energy: -133.799
where: short stacking energy: -101.925
Base-Backbone interact. energy: -3.998
local terms energy: -202.122573
where:
bonds (distance) C4'-P energy: -58.617
bonds (distance) P-C4' energy: -59.638
flat angles C4'-P-C4' energy: -50.427
flat angles P-C4'-P energy: -29.501
tors. eta vs tors. theta energy: -3.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 279
Temperature: 1.250000
Total energy: -367.252114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.252114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.252114 (E_RNA)
where:
Base-Base interactions energy: -150.016
where: short stacking energy: -101.461
Base-Backbone interact. energy: -1.583
local terms energy: -215.653037
where:
bonds (distance) C4'-P energy: -68.592
bonds (distance) P-C4' energy: -72.181
flat angles C4'-P-C4' energy: -44.467
flat angles P-C4'-P energy: -24.708
tors. eta vs tors. theta energy: -5.705
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: 9
=====================================
Write number: 279
Temperature: 1.300000
Total energy: -286.934504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.934504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.934504 (E_RNA)
where:
Base-Base interactions energy: -105.939
where: short stacking energy: -64.841
Base-Backbone interact. energy: -0.318
local terms energy: -180.677494
where:
bonds (distance) C4'-P energy: -45.951
bonds (distance) P-C4' energy: -68.305
flat angles C4'-P-C4' energy: -45.052
flat angles P-C4'-P energy: -31.710
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: 10, replica: 8
=====================================
Write number: 279
Temperature: 1.350000
Total energy: -336.013179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.013179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.013179 (E_RNA)
where:
Base-Base interactions energy: -160.376
where: short stacking energy: -87.107
Base-Backbone interact. energy: 2.062
local terms energy: -177.699227
where:
bonds (distance) C4'-P energy: -65.128
bonds (distance) P-C4' energy: -53.883
flat angles C4'-P-C4' energy: -39.299
flat angles P-C4'-P energy: -22.555
tors. eta vs tors. theta energy: 3.166
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 280
Temperature: 0.900000
Total energy: -1107.655592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1107.655592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1107.655592 (E_RNA)
where:
Base-Base interactions energy: -726.733
where: short stacking energy: -335.233
Base-Backbone interact. energy: -1.163
local terms energy: -379.760073
where:
bonds (distance) C4'-P energy: -71.347
bonds (distance) P-C4' energy: -70.195
flat angles C4'-P-C4' energy: -74.236
flat angles P-C4'-P energy: -49.603
tors. eta vs tors. theta energy: -114.379
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: 2, replica: 1
=====================================
Write number: 280
Temperature: 0.950000
Total energy: -1030.832715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1030.832715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1030.832715 (E_RNA)
where:
Base-Base interactions energy: -668.634
where: short stacking energy: -302.946
Base-Backbone interact. energy: 2.977
local terms energy: -365.175202
where:
bonds (distance) C4'-P energy: -65.376
bonds (distance) P-C4' energy: -70.740
flat angles C4'-P-C4' energy: -70.904
flat angles P-C4'-P energy: -55.722
tors. eta vs tors. theta energy: -102.434
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 280
Temperature: 1.000000
Total energy: -900.189017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -900.189017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -900.189017 (E_RNA)
where:
Base-Base interactions energy: -563.183
where: short stacking energy: -272.578
Base-Backbone interact. energy: -0.241
local terms energy: -336.765204
where:
bonds (distance) C4'-P energy: -61.707
bonds (distance) P-C4' energy: -66.616
flat angles C4'-P-C4' energy: -73.043
flat angles P-C4'-P energy: -53.820
tors. eta vs tors. theta energy: -81.579
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: 4, replica: 3
=====================================
Write number: 280
Temperature: 1.050000
Total energy: -768.946568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -768.946568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -768.946568 (E_RNA)
where:
Base-Base interactions energy: -472.581
where: short stacking energy: -208.583
Base-Backbone interact. energy: -1.502
local terms energy: -294.863197
where:
bonds (distance) C4'-P energy: -73.069
bonds (distance) P-C4' energy: -48.971
flat angles C4'-P-C4' energy: -61.253
flat angles P-C4'-P energy: -49.199
tors. eta vs tors. theta energy: -62.371
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: 2
=====================================
Write number: 280
Temperature: 1.100000
Total energy: -581.734835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -581.734835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -581.734835 (E_RNA)
where:
Base-Base interactions energy: -325.297
where: short stacking energy: -171.980
Base-Backbone interact. energy: 2.636
local terms energy: -259.074072
where:
bonds (distance) C4'-P energy: -56.041
bonds (distance) P-C4' energy: -67.877
flat angles C4'-P-C4' energy: -58.125
flat angles P-C4'-P energy: -46.141
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: 6, replica: 6
=====================================
Write number: 280
Temperature: 1.150000
Total energy: -576.302156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -576.302156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -576.302156 (E_RNA)
where:
Base-Base interactions energy: -310.344
where: short stacking energy: -170.810
Base-Backbone interact. energy: -1.534
local terms energy: -264.423655
where:
bonds (distance) C4'-P energy: -55.336
bonds (distance) P-C4' energy: -63.022
flat angles C4'-P-C4' energy: -59.226
flat angles P-C4'-P energy: -38.626
tors. eta vs tors. theta energy: -48.214
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 280
Temperature: 1.200000
Total energy: -388.522671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -388.522671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -388.522671 (E_RNA)
where:
Base-Base interactions energy: -172.163
where: short stacking energy: -107.883
Base-Backbone interact. energy: -1.007
local terms energy: -215.352676
where:
bonds (distance) C4'-P energy: -57.823
bonds (distance) P-C4' energy: -61.073
flat angles C4'-P-C4' energy: -55.211
flat angles P-C4'-P energy: -25.856
tors. eta vs tors. theta energy: -15.390
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 280
Temperature: 1.250000
Total energy: -310.791765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.791765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.791765 (E_RNA)
where:
Base-Base interactions energy: -116.728
where: short stacking energy: -94.279
Base-Backbone interact. energy: -0.353
local terms energy: -193.710712
where:
bonds (distance) C4'-P energy: -60.459
bonds (distance) P-C4' energy: -63.072
flat angles C4'-P-C4' energy: -43.369
flat angles P-C4'-P energy: -23.126
tors. eta vs tors. theta energy: -3.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 280
Temperature: 1.300000
Total energy: -336.082562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.082562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.082562 (E_RNA)
where:
Base-Base interactions energy: -148.782
where: short stacking energy: -96.667
Base-Backbone interact. energy: 1.130
local terms energy: -188.430284
where:
bonds (distance) C4'-P energy: -54.162
bonds (distance) P-C4' energy: -67.079
flat angles C4'-P-C4' energy: -52.040
flat angles P-C4'-P energy: -18.226
tors. eta vs tors. theta energy: 3.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 280
Temperature: 1.350000
Total energy: -287.956072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.956072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.956072 (E_RNA)
where:
Base-Base interactions energy: -94.719
where: short stacking energy: -78.932
Base-Backbone interact. energy: 1.184
local terms energy: -194.420946
where:
bonds (distance) C4'-P energy: -60.688
bonds (distance) P-C4' energy: -55.556
flat angles C4'-P-C4' energy: -52.515
flat angles P-C4'-P energy: -32.993
tors. eta vs tors. theta energy: 7.331
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: 4
=====================================
Write number: 281
Temperature: 0.900000
Total energy: -1099.879579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1099.879579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1099.879579 (E_RNA)
where:
Base-Base interactions energy: -714.128
where: short stacking energy: -320.744
Base-Backbone interact. energy: -0.018
local terms energy: -385.734170
where:
bonds (distance) C4'-P energy: -68.002
bonds (distance) P-C4' energy: -69.190
flat angles C4'-P-C4' energy: -83.462
flat angles P-C4'-P energy: -49.111
tors. eta vs tors. theta energy: -115.970
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 281
Temperature: 0.950000
Total energy: -1023.880196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1023.880196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1023.880196 (E_RNA)
where:
Base-Base interactions energy: -671.552
where: short stacking energy: -325.503
Base-Backbone interact. energy: -0.100
local terms energy: -352.227627
where:
bonds (distance) C4'-P energy: -59.240
bonds (distance) P-C4' energy: -76.211
flat angles C4'-P-C4' energy: -77.827
flat angles P-C4'-P energy: -42.156
tors. eta vs tors. theta energy: -96.793
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: 5
=====================================
Write number: 281
Temperature: 1.000000
Total energy: -947.126141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -947.126141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -947.126141 (E_RNA)
where:
Base-Base interactions energy: -617.363
where: short stacking energy: -283.093
Base-Backbone interact. energy: -2.057
local terms energy: -327.705984
where:
bonds (distance) C4'-P energy: -61.202
bonds (distance) P-C4' energy: -68.582
flat angles C4'-P-C4' energy: -72.887
flat angles P-C4'-P energy: -41.864
tors. eta vs tors. theta energy: -83.172
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 281
Temperature: 1.050000
Total energy: -743.925686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -743.925686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -743.925686 (E_RNA)
where:
Base-Base interactions energy: -442.912
where: short stacking energy: -210.730
Base-Backbone interact. energy: -0.255
local terms energy: -300.758444
where:
bonds (distance) C4'-P energy: -74.765
bonds (distance) P-C4' energy: -60.171
flat angles C4'-P-C4' energy: -71.736
flat angles P-C4'-P energy: -35.483
tors. eta vs tors. theta energy: -58.603
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 281
Temperature: 1.100000
Total energy: -592.989222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -592.989222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -592.989222 (E_RNA)
where:
Base-Base interactions energy: -336.312
where: short stacking energy: -179.143
Base-Backbone interact. energy: 0.117
local terms energy: -256.794827
where:
bonds (distance) C4'-P energy: -61.365
bonds (distance) P-C4' energy: -67.759
flat angles C4'-P-C4' energy: -57.674
flat angles P-C4'-P energy: -34.593
tors. eta vs tors. theta energy: -35.404
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 281
Temperature: 1.150000
Total energy: -534.340839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.340839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.340839 (E_RNA)
where:
Base-Base interactions energy: -269.487
where: short stacking energy: -143.822
Base-Backbone interact. energy: -1.124
local terms energy: -263.729941
where:
bonds (distance) C4'-P energy: -64.694
bonds (distance) P-C4' energy: -56.992
flat angles C4'-P-C4' energy: -70.193
flat angles P-C4'-P energy: -43.783
tors. eta vs tors. theta energy: -28.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 281
Temperature: 1.200000
Total energy: -394.819908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -394.819908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -394.819908 (E_RNA)
where:
Base-Base interactions energy: -187.376
where: short stacking energy: -123.989
Base-Backbone interact. energy: -4.288
local terms energy: -203.156142
where:
bonds (distance) C4'-P energy: -53.473
bonds (distance) P-C4' energy: -51.463
flat angles C4'-P-C4' energy: -64.055
flat angles P-C4'-P energy: -28.110
tors. eta vs tors. theta energy: -6.056
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: 7
=====================================
Write number: 281
Temperature: 1.250000
Total energy: -314.000856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.000856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.000856 (E_RNA)
where:
Base-Base interactions energy: -117.991
where: short stacking energy: -108.489
Base-Backbone interact. energy: 0.351
local terms energy: -196.360432
where:
bonds (distance) C4'-P energy: -46.780
bonds (distance) P-C4' energy: -62.696
flat angles C4'-P-C4' energy: -49.374
flat angles P-C4'-P energy: -37.961
tors. eta vs tors. theta energy: 0.452
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 281
Temperature: 1.300000
Total energy: -305.783216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.783216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.783216 (E_RNA)
where:
Base-Base interactions energy: -120.228
where: short stacking energy: -94.461
Base-Backbone interact. energy: 1.295
local terms energy: -186.850206
where:
bonds (distance) C4'-P energy: -46.354
bonds (distance) P-C4' energy: -60.823
flat angles C4'-P-C4' energy: -56.241
flat angles P-C4'-P energy: -24.337
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: 10, replica: 9
=====================================
Write number: 281
Temperature: 1.350000
Total energy: -286.394237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.394237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.394237 (E_RNA)
where:
Base-Base interactions energy: -96.868
where: short stacking energy: -75.534
Base-Backbone interact. energy: -1.193
local terms energy: -188.333183
where:
bonds (distance) C4'-P energy: -64.113
bonds (distance) P-C4' energy: -53.272
flat angles C4'-P-C4' energy: -41.979
flat angles P-C4'-P energy: -31.829
tors. eta vs tors. theta energy: 2.860
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 282
Temperature: 0.900000
Total energy: -1115.678295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1115.678295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1115.678295 (E_RNA)
where:
Base-Base interactions energy: -713.825
where: short stacking energy: -330.538
Base-Backbone interact. energy: -1.632
local terms energy: -400.220807
where:
bonds (distance) C4'-P energy: -74.272
bonds (distance) P-C4' energy: -70.722
flat angles C4'-P-C4' energy: -81.511
flat angles P-C4'-P energy: -58.088
tors. eta vs tors. theta energy: -115.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 282
Temperature: 0.950000
Total energy: -1005.810406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1005.810406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1005.810406 (E_RNA)
where:
Base-Base interactions energy: -645.563
where: short stacking energy: -310.521
Base-Backbone interact. energy: -1.645
local terms energy: -358.603107
where:
bonds (distance) C4'-P energy: -67.164
bonds (distance) P-C4' energy: -65.799
flat angles C4'-P-C4' energy: -71.296
flat angles P-C4'-P energy: -51.339
tors. eta vs tors. theta energy: -103.005
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: 5
=====================================
Write number: 282
Temperature: 1.000000
Total energy: -907.996230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -907.996230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -907.996230 (E_RNA)
where:
Base-Base interactions energy: -574.404
where: short stacking energy: -274.583
Base-Backbone interact. energy: 1.230
local terms energy: -334.822551
where:
bonds (distance) C4'-P energy: -72.441
bonds (distance) P-C4' energy: -64.183
flat angles C4'-P-C4' energy: -65.282
flat angles P-C4'-P energy: -50.222
tors. eta vs tors. theta energy: -82.695
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: 3
=====================================
Write number: 282
Temperature: 1.050000
Total energy: -745.351387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -745.351387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -745.351387 (E_RNA)
where:
Base-Base interactions energy: -453.191
where: short stacking energy: -207.475
Base-Backbone interact. energy: -0.482
local terms energy: -291.678206
where:
bonds (distance) C4'-P energy: -64.313
bonds (distance) P-C4' energy: -73.346
flat angles C4'-P-C4' energy: -72.827
flat angles P-C4'-P energy: -35.556
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: 5, replica: 2
=====================================
Write number: 282
Temperature: 1.100000
Total energy: -605.109772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -605.109772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -605.109772 (E_RNA)
where:
Base-Base interactions energy: -333.108
where: short stacking energy: -183.457
Base-Backbone interact. energy: -0.311
local terms energy: -271.690879
where:
bonds (distance) C4'-P energy: -72.993
bonds (distance) P-C4' energy: -55.821
flat angles C4'-P-C4' energy: -67.733
flat angles P-C4'-P energy: -38.979
tors. eta vs tors. theta energy: -36.165
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: 6, replica: 6
=====================================
Write number: 282
Temperature: 1.150000
Total energy: -514.440194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.440194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.440194 (E_RNA)
where:
Base-Base interactions energy: -270.046
where: short stacking energy: -144.591
Base-Backbone interact. energy: -1.471
local terms energy: -242.923001
where:
bonds (distance) C4'-P energy: -59.878
bonds (distance) P-C4' energy: -68.512
flat angles C4'-P-C4' energy: -64.660
flat angles P-C4'-P energy: -30.858
tors. eta vs tors. theta energy: -19.014
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: 282
Temperature: 1.200000
Total energy: -392.802461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.802461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -392.802461 (E_RNA)
where:
Base-Base interactions energy: -170.205
where: short stacking energy: -120.968
Base-Backbone interact. energy: 0.685
local terms energy: -223.282303
where:
bonds (distance) C4'-P energy: -55.841
bonds (distance) P-C4' energy: -65.496
flat angles C4'-P-C4' energy: -56.773
flat angles P-C4'-P energy: -31.567
tors. eta vs tors. theta energy: -13.606
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: 282
Temperature: 1.250000
Total energy: -304.207933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.207933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.207933 (E_RNA)
where:
Base-Base interactions energy: -102.752
where: short stacking energy: -76.007
Base-Backbone interact. energy: 2.528
local terms energy: -203.984107
where:
bonds (distance) C4'-P energy: -60.824
bonds (distance) P-C4' energy: -57.441
flat angles C4'-P-C4' energy: -47.028
flat angles P-C4'-P energy: -33.168
tors. eta vs tors. theta energy: -5.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 282
Temperature: 1.300000
Total energy: -284.568675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.568675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.568675 (E_RNA)
where:
Base-Base interactions energy: -79.010
where: short stacking energy: -74.117
Base-Backbone interact. energy: 1.141
local terms energy: -206.699511
where:
bonds (distance) C4'-P energy: -56.980
bonds (distance) P-C4' energy: -60.152
flat angles C4'-P-C4' energy: -54.330
flat angles P-C4'-P energy: -39.999
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: 10, replica: 8
=====================================
Write number: 282
Temperature: 1.350000
Total energy: -276.565796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.565796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.565796 (E_RNA)
where:
Base-Base interactions energy: -82.908
where: short stacking energy: -68.735
Base-Backbone interact. energy: 0.080
local terms energy: -193.738035
where:
bonds (distance) C4'-P energy: -50.880
bonds (distance) P-C4' energy: -69.253
flat angles C4'-P-C4' energy: -52.120
flat angles P-C4'-P energy: -34.958
tors. eta vs tors. theta energy: 13.473
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: 4
=====================================
Write number: 283
Temperature: 0.900000
Total energy: -1085.206207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1085.206207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1085.206207 (E_RNA)
where:
Base-Base interactions energy: -717.799
where: short stacking energy: -333.876
Base-Backbone interact. energy: -0.699
local terms energy: -366.707724
where:
bonds (distance) C4'-P energy: -66.126
bonds (distance) P-C4' energy: -65.455
flat angles C4'-P-C4' energy: -76.683
flat angles P-C4'-P energy: -46.460
tors. eta vs tors. theta energy: -111.984
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 283
Temperature: 0.950000
Total energy: -1021.059311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1021.059311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1021.059311 (E_RNA)
where:
Base-Base interactions energy: -679.533
where: short stacking energy: -317.226
Base-Backbone interact. energy: -0.702
local terms energy: -340.824107
where:
bonds (distance) C4'-P energy: -53.764
bonds (distance) P-C4' energy: -54.573
flat angles C4'-P-C4' energy: -78.209
flat angles P-C4'-P energy: -50.944
tors. eta vs tors. theta energy: -103.335
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 283
Temperature: 1.000000
Total energy: -885.325370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -885.325370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -885.325370 (E_RNA)
where:
Base-Base interactions energy: -544.216
where: short stacking energy: -247.276
Base-Backbone interact. energy: -1.418
local terms energy: -339.691769
where:
bonds (distance) C4'-P energy: -64.927
bonds (distance) P-C4' energy: -69.339
flat angles C4'-P-C4' energy: -69.788
flat angles P-C4'-P energy: -49.009
tors. eta vs tors. theta energy: -86.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 283
Temperature: 1.050000
Total energy: -728.675286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -728.675286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -728.675286 (E_RNA)
where:
Base-Base interactions energy: -429.664
where: short stacking energy: -212.419
Base-Backbone interact. energy: -3.184
local terms energy: -295.828179
where:
bonds (distance) C4'-P energy: -73.183
bonds (distance) P-C4' energy: -53.908
flat angles C4'-P-C4' energy: -67.735
flat angles P-C4'-P energy: -50.229
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: 5, replica: 2
=====================================
Write number: 283
Temperature: 1.100000
Total energy: -607.806180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -607.806180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -607.806180 (E_RNA)
where:
Base-Base interactions energy: -332.254
where: short stacking energy: -196.056
Base-Backbone interact. energy: -0.377
local terms energy: -275.174820
where:
bonds (distance) C4'-P energy: -58.479
bonds (distance) P-C4' energy: -72.145
flat angles C4'-P-C4' energy: -57.220
flat angles P-C4'-P energy: -42.405
tors. eta vs tors. theta energy: -44.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 283
Temperature: 1.150000
Total energy: -549.878968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.878968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.878968 (E_RNA)
where:
Base-Base interactions energy: -305.048
where: short stacking energy: -158.989
Base-Backbone interact. energy: 0.154
local terms energy: -244.984690
where:
bonds (distance) C4'-P energy: -62.132
bonds (distance) P-C4' energy: -60.667
flat angles C4'-P-C4' energy: -57.775
flat angles P-C4'-P energy: -33.381
tors. eta vs tors. theta energy: -31.030
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: 10
=====================================
Write number: 283
Temperature: 1.200000
Total energy: -426.246448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -426.246448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -426.246448 (E_RNA)
where:
Base-Base interactions energy: -199.012
where: short stacking energy: -136.476
Base-Backbone interact. energy: -0.935
local terms energy: -226.299976
where:
bonds (distance) C4'-P energy: -50.392
bonds (distance) P-C4' energy: -51.698
flat angles C4'-P-C4' energy: -61.077
flat angles P-C4'-P energy: -31.335
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: 8, replica: 7
=====================================
Write number: 283
Temperature: 1.250000
Total energy: -291.471311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.471311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.471311 (E_RNA)
where:
Base-Base interactions energy: -111.214
where: short stacking energy: -93.185
Base-Backbone interact. energy: 0.124
local terms energy: -180.380864
where:
bonds (distance) C4'-P energy: -49.001
bonds (distance) P-C4' energy: -51.245
flat angles C4'-P-C4' energy: -49.742
flat angles P-C4'-P energy: -43.644
tors. eta vs tors. theta energy: 13.250
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: 9
=====================================
Write number: 283
Temperature: 1.300000
Total energy: -286.374997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.374997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.374997 (E_RNA)
where:
Base-Base interactions energy: -90.587
where: short stacking energy: -75.120
Base-Backbone interact. energy: -1.599
local terms energy: -194.188538
where:
bonds (distance) C4'-P energy: -47.510
bonds (distance) P-C4' energy: -63.487
flat angles C4'-P-C4' energy: -49.225
flat angles P-C4'-P energy: -46.431
tors. eta vs tors. theta energy: 12.464
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 283
Temperature: 1.350000
Total energy: -259.547461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.547461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.547461 (E_RNA)
where:
Base-Base interactions energy: -71.090
where: short stacking energy: -52.005
Base-Backbone interact. energy: -0.453
local terms energy: -188.004601
where:
bonds (distance) C4'-P energy: -67.701
bonds (distance) P-C4' energy: -60.876
flat angles C4'-P-C4' energy: -44.037
flat angles P-C4'-P energy: -29.430
tors. eta vs tors. theta energy: 14.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 284
Temperature: 0.900000
Total energy: -1082.439610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1082.439610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1082.439610 (E_RNA)
where:
Base-Base interactions energy: -713.524
where: short stacking energy: -333.466
Base-Backbone interact. energy: -0.326
local terms energy: -368.589300
where:
bonds (distance) C4'-P energy: -68.088
bonds (distance) P-C4' energy: -71.330
flat angles C4'-P-C4' energy: -73.316
flat angles P-C4'-P energy: -45.640
tors. eta vs tors. theta energy: -110.215
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 284
Temperature: 0.950000
Total energy: -1029.437358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1029.437358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1029.437358 (E_RNA)
where:
Base-Base interactions energy: -678.350
where: short stacking energy: -320.675
Base-Backbone interact. energy: -3.034
local terms energy: -348.052776
where:
bonds (distance) C4'-P energy: -58.823
bonds (distance) P-C4' energy: -62.959
flat angles C4'-P-C4' energy: -77.569
flat angles P-C4'-P energy: -41.164
tors. eta vs tors. theta energy: -107.538
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: 5
=====================================
Write number: 284
Temperature: 1.000000
Total energy: -863.733351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -863.733351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -863.733351 (E_RNA)
where:
Base-Base interactions energy: -537.237
where: short stacking energy: -237.521
Base-Backbone interact. energy: -0.935
local terms energy: -325.561198
where:
bonds (distance) C4'-P energy: -59.665
bonds (distance) P-C4' energy: -74.151
flat angles C4'-P-C4' energy: -71.678
flat angles P-C4'-P energy: -44.834
tors. eta vs tors. theta energy: -75.233
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 284
Temperature: 1.050000
Total energy: -769.272046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -769.272046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -769.272046 (E_RNA)
where:
Base-Base interactions energy: -481.009
where: short stacking energy: -257.407
Base-Backbone interact. energy: 1.518
local terms energy: -289.781348
where:
bonds (distance) C4'-P energy: -53.001
bonds (distance) P-C4' energy: -60.346
flat angles C4'-P-C4' energy: -65.377
flat angles P-C4'-P energy: -43.838
tors. eta vs tors. theta energy: -67.218
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: 2
=====================================
Write number: 284
Temperature: 1.100000
Total energy: -584.332150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -584.332150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -584.332150 (E_RNA)
where:
Base-Base interactions energy: -319.652
where: short stacking energy: -175.575
Base-Backbone interact. energy: 1.830
local terms energy: -266.509447
where:
bonds (distance) C4'-P energy: -64.033
bonds (distance) P-C4' energy: -64.314
flat angles C4'-P-C4' energy: -64.287
flat angles P-C4'-P energy: -41.369
tors. eta vs tors. theta energy: -32.506
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 284
Temperature: 1.150000
Total energy: -523.235923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.235923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.235923 (E_RNA)
where:
Base-Base interactions energy: -261.717
where: short stacking energy: -158.760
Base-Backbone interact. energy: -2.086
local terms energy: -259.433140
where:
bonds (distance) C4'-P energy: -59.912
bonds (distance) P-C4' energy: -65.258
flat angles C4'-P-C4' energy: -65.771
flat angles P-C4'-P energy: -39.264
tors. eta vs tors. theta energy: -29.229
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 284
Temperature: 1.200000
Total energy: -405.580821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -405.580821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -405.580821 (E_RNA)
where:
Base-Base interactions energy: -169.001
where: short stacking energy: -98.628
Base-Backbone interact. energy: 1.089
local terms energy: -237.668071
where:
bonds (distance) C4'-P energy: -51.646
bonds (distance) P-C4' energy: -75.012
flat angles C4'-P-C4' energy: -55.576
flat angles P-C4'-P energy: -46.283
tors. eta vs tors. theta energy: -9.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 284
Temperature: 1.250000
Total energy: -336.329744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.329744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.329744 (E_RNA)
where:
Base-Base interactions energy: -144.269
where: short stacking energy: -86.678
Base-Backbone interact. energy: -2.203
local terms energy: -189.857804
where:
bonds (distance) C4'-P energy: -59.885
bonds (distance) P-C4' energy: -69.897
flat angles C4'-P-C4' energy: -56.971
flat angles P-C4'-P energy: -15.565
tors. eta vs tors. theta energy: 12.461
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: 9
=====================================
Write number: 284
Temperature: 1.300000
Total energy: -289.230833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.230833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.230833 (E_RNA)
where:
Base-Base interactions energy: -98.598
where: short stacking energy: -73.412
Base-Backbone interact. energy: 2.086
local terms energy: -192.718843
where:
bonds (distance) C4'-P energy: -64.379
bonds (distance) P-C4' energy: -62.786
flat angles C4'-P-C4' energy: -48.667
flat angles P-C4'-P energy: -25.202
tors. eta vs tors. theta energy: 8.315
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: 8
=====================================
Write number: 284
Temperature: 1.350000
Total energy: -279.407568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.407568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.407568 (E_RNA)
where:
Base-Base interactions energy: -105.015
where: short stacking energy: -70.440
Base-Backbone interact. energy: -1.185
local terms energy: -173.207613
where:
bonds (distance) C4'-P energy: -60.491
bonds (distance) P-C4' energy: -65.374
flat angles C4'-P-C4' energy: -53.054
flat angles P-C4'-P energy: -21.794
tors. eta vs tors. theta energy: 27.505
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: 4
=====================================
Write number: 285
Temperature: 0.900000
Total energy: -1107.835102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1107.835102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1107.835102 (E_RNA)
where:
Base-Base interactions energy: -726.246
where: short stacking energy: -342.838
Base-Backbone interact. energy: 0.385
local terms energy: -381.974028
where:
bonds (distance) C4'-P energy: -63.875
bonds (distance) P-C4' energy: -73.730
flat angles C4'-P-C4' energy: -81.235
flat angles P-C4'-P energy: -50.712
tors. eta vs tors. theta energy: -112.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 285
Temperature: 0.950000
Total energy: -999.892724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -999.892724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -999.892724 (E_RNA)
where:
Base-Base interactions energy: -645.727
where: short stacking energy: -290.398
Base-Backbone interact. energy: -0.530
local terms energy: -353.635572
where:
bonds (distance) C4'-P energy: -64.194
bonds (distance) P-C4' energy: -74.737
flat angles C4'-P-C4' energy: -72.597
flat angles P-C4'-P energy: -48.282
tors. eta vs tors. theta energy: -93.826
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: 5
=====================================
Write number: 285
Temperature: 1.000000
Total energy: -865.187222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -865.187222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -865.187222 (E_RNA)
where:
Base-Base interactions energy: -539.037
where: short stacking energy: -267.441
Base-Backbone interact. energy: -1.635
local terms energy: -324.514952
where:
bonds (distance) C4'-P energy: -61.864
bonds (distance) P-C4' energy: -70.986
flat angles C4'-P-C4' energy: -76.358
flat angles P-C4'-P energy: -46.725
tors. eta vs tors. theta energy: -68.582
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 285
Temperature: 1.050000
Total energy: -806.608094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -806.608094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -806.608094 (E_RNA)
where:
Base-Base interactions energy: -505.097
where: short stacking energy: -245.872
Base-Backbone interact. energy: -0.858
local terms energy: -300.653021
where:
bonds (distance) C4'-P energy: -62.867
bonds (distance) P-C4' energy: -61.784
flat angles C4'-P-C4' energy: -71.891
flat angles P-C4'-P energy: -47.005
tors. eta vs tors. theta energy: -57.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 285
Temperature: 1.100000
Total energy: -579.044391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -579.044391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -579.044391 (E_RNA)
where:
Base-Base interactions energy: -329.943
where: short stacking energy: -152.503
Base-Backbone interact. energy: 0.762
local terms energy: -249.863907
where:
bonds (distance) C4'-P energy: -56.780
bonds (distance) P-C4' energy: -67.770
flat angles C4'-P-C4' energy: -66.324
flat angles P-C4'-P energy: -27.088
tors. eta vs tors. theta energy: -31.900
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 285
Temperature: 1.150000
Total energy: -517.292671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.292671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.292671 (E_RNA)
where:
Base-Base interactions energy: -260.263
where: short stacking energy: -142.556
Base-Backbone interact. energy: -1.014
local terms energy: -256.015038
where:
bonds (distance) C4'-P energy: -61.880
bonds (distance) P-C4' energy: -62.630
flat angles C4'-P-C4' energy: -63.747
flat angles P-C4'-P energy: -41.284
tors. eta vs tors. theta energy: -26.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 285
Temperature: 1.200000
Total energy: -418.808545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.808545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.808545 (E_RNA)
where:
Base-Base interactions energy: -193.285
where: short stacking energy: -106.433
Base-Backbone interact. energy: -0.343
local terms energy: -225.179913
where:
bonds (distance) C4'-P energy: -65.728
bonds (distance) P-C4' energy: -67.193
flat angles C4'-P-C4' energy: -49.590
flat angles P-C4'-P energy: -35.845
tors. eta vs tors. theta energy: -6.824
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 285
Temperature: 1.250000
Total energy: -321.989158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.989158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.989158 (E_RNA)
where:
Base-Base interactions energy: -103.088
where: short stacking energy: -93.506
Base-Backbone interact. energy: 3.662
local terms energy: -222.563860
where:
bonds (distance) C4'-P energy: -58.558
bonds (distance) P-C4' energy: -67.195
flat angles C4'-P-C4' energy: -60.973
flat angles P-C4'-P energy: -28.183
tors. eta vs tors. theta energy: -7.655
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: 7
=====================================
Write number: 285
Temperature: 1.300000
Total energy: -296.786701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.786701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.786701 (E_RNA)
where:
Base-Base interactions energy: -102.592
where: short stacking energy: -75.019
Base-Backbone interact. energy: 0.562
local terms energy: -194.757125
where:
bonds (distance) C4'-P energy: -63.253
bonds (distance) P-C4' energy: -64.728
flat angles C4'-P-C4' energy: -51.450
flat angles P-C4'-P energy: -24.855
tors. eta vs tors. theta energy: 9.529
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: 8
=====================================
Write number: 285
Temperature: 1.350000
Total energy: -264.765368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.765368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.765368 (E_RNA)
where:
Base-Base interactions energy: -89.335
where: short stacking energy: -76.384
Base-Backbone interact. energy: -1.229
local terms energy: -174.200804
where:
bonds (distance) C4'-P energy: -55.529
bonds (distance) P-C4' energy: -41.859
flat angles C4'-P-C4' energy: -40.727
flat angles P-C4'-P energy: -34.136
tors. eta vs tors. theta energy: -1.951
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 286
Temperature: 0.900000
Total energy: -1105.876285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1105.876285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1105.876285 (E_RNA)
where:
Base-Base interactions energy: -733.052
where: short stacking energy: -343.129
Base-Backbone interact. energy: -0.112
local terms energy: -372.711733
where:
bonds (distance) C4'-P energy: -65.174
bonds (distance) P-C4' energy: -71.145
flat angles C4'-P-C4' energy: -79.164
flat angles P-C4'-P energy: -48.448
tors. eta vs tors. theta energy: -108.781
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: 286
Temperature: 0.950000
Total energy: -976.986360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -976.986360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -976.986360 (E_RNA)
where:
Base-Base interactions energy: -625.310
where: short stacking energy: -289.234
Base-Backbone interact. energy: -0.154
local terms energy: -351.522086
where:
bonds (distance) C4'-P energy: -68.886
bonds (distance) P-C4' energy: -73.502
flat angles C4'-P-C4' energy: -71.933
flat angles P-C4'-P energy: -46.629
tors. eta vs tors. theta energy: -90.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 286
Temperature: 1.000000
Total energy: -912.873732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -912.873732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -912.873732 (E_RNA)
where:
Base-Base interactions energy: -573.731
where: short stacking energy: -286.782
Base-Backbone interact. energy: -1.510
local terms energy: -337.633121
where:
bonds (distance) C4'-P energy: -62.082
bonds (distance) P-C4' energy: -67.448
flat angles C4'-P-C4' energy: -72.386
flat angles P-C4'-P energy: -49.263
tors. eta vs tors. theta energy: -86.455
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 286
Temperature: 1.050000
Total energy: -797.270522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -797.270522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -797.270522 (E_RNA)
where:
Base-Base interactions energy: -497.715
where: short stacking energy: -232.527
Base-Backbone interact. energy: 0.590
local terms energy: -300.145982
where:
bonds (distance) C4'-P energy: -56.449
bonds (distance) P-C4' energy: -54.316
flat angles C4'-P-C4' energy: -71.748
flat angles P-C4'-P energy: -50.410
tors. eta vs tors. theta energy: -67.223
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 286
Temperature: 1.100000
Total energy: -662.746845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -662.746845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -662.746845 (E_RNA)
where:
Base-Base interactions energy: -407.368
where: short stacking energy: -205.479
Base-Backbone interact. energy: 1.903
local terms energy: -257.281576
where:
bonds (distance) C4'-P energy: -54.737
bonds (distance) P-C4' energy: -62.476
flat angles C4'-P-C4' energy: -62.798
flat angles P-C4'-P energy: -32.437
tors. eta vs tors. theta energy: -44.833
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 286
Temperature: 1.150000
Total energy: -555.674550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -555.674550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -555.674550 (E_RNA)
where:
Base-Base interactions energy: -315.972
where: short stacking energy: -175.799
Base-Backbone interact. energy: 0.602
local terms energy: -240.305023
where:
bonds (distance) C4'-P energy: -59.054
bonds (distance) P-C4' energy: -53.838
flat angles C4'-P-C4' energy: -56.112
flat angles P-C4'-P energy: -37.178
tors. eta vs tors. theta energy: -34.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 286
Temperature: 1.200000
Total energy: -425.788547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -425.788547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -425.788547 (E_RNA)
where:
Base-Base interactions energy: -201.412
where: short stacking energy: -112.291
Base-Backbone interact. energy: -0.604
local terms energy: -223.772656
where:
bonds (distance) C4'-P energy: -53.435
bonds (distance) P-C4' energy: -67.661
flat angles C4'-P-C4' energy: -54.662
flat angles P-C4'-P energy: -37.909
tors. eta vs tors. theta energy: -10.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 286
Temperature: 1.250000
Total energy: -336.556324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.556324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.556324 (E_RNA)
where:
Base-Base interactions energy: -125.575
where: short stacking energy: -101.448
Base-Backbone interact. energy: 1.368
local terms energy: -212.349089
where:
bonds (distance) C4'-P energy: -65.813
bonds (distance) P-C4' energy: -54.777
flat angles C4'-P-C4' energy: -61.742
flat angles P-C4'-P energy: -27.338
tors. eta vs tors. theta energy: -2.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 286
Temperature: 1.300000
Total energy: -287.415847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.415847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.415847 (E_RNA)
where:
Base-Base interactions energy: -111.706
where: short stacking energy: -70.663
Base-Backbone interact. energy: 3.378
local terms energy: -179.088375
where:
bonds (distance) C4'-P energy: -56.969
bonds (distance) P-C4' energy: -53.278
flat angles C4'-P-C4' energy: -55.122
flat angles P-C4'-P energy: -25.968
tors. eta vs tors. theta energy: 12.249
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: 286
Temperature: 1.350000
Total energy: -294.972682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.972682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.972682 (E_RNA)
where:
Base-Base interactions energy: -100.863
where: short stacking energy: -87.169
Base-Backbone interact. energy: -0.183
local terms energy: -193.926289
where:
bonds (distance) C4'-P energy: -61.541
bonds (distance) P-C4' energy: -62.062
flat angles C4'-P-C4' energy: -48.591
flat angles P-C4'-P energy: -32.947
tors. eta vs tors. theta energy: 11.215
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 287
Temperature: 0.900000
Total energy: -1128.499444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1128.499444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1128.499444 (E_RNA)
where:
Base-Base interactions energy: -770.566
where: short stacking energy: -345.408
Base-Backbone interact. energy: 4.347
local terms energy: -362.280584
where:
bonds (distance) C4'-P energy: -63.550
bonds (distance) P-C4' energy: -70.881
flat angles C4'-P-C4' energy: -75.455
flat angles P-C4'-P energy: -39.478
tors. eta vs tors. theta energy: -112.916
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: 1
=====================================
Write number: 287
Temperature: 0.950000
Total energy: -1009.283473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1009.283473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1009.283473 (E_RNA)
where:
Base-Base interactions energy: -642.210
where: short stacking energy: -303.943
Base-Backbone interact. energy: -1.963
local terms energy: -365.110036
where:
bonds (distance) C4'-P energy: -72.481
bonds (distance) P-C4' energy: -71.871
flat angles C4'-P-C4' energy: -69.944
flat angles P-C4'-P energy: -48.085
tors. eta vs tors. theta energy: -102.730
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: 5
=====================================
Write number: 287
Temperature: 1.000000
Total energy: -905.930572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -905.930572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -905.930572 (E_RNA)
where:
Base-Base interactions energy: -551.803
where: short stacking energy: -265.467
Base-Backbone interact. energy: -1.577
local terms energy: -352.550812
where:
bonds (distance) C4'-P energy: -65.552
bonds (distance) P-C4' energy: -72.831
flat angles C4'-P-C4' energy: -77.013
flat angles P-C4'-P energy: -44.146
tors. eta vs tors. theta energy: -93.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 287
Temperature: 1.050000
Total energy: -774.331242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -774.331242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -774.331242 (E_RNA)
where:
Base-Base interactions energy: -464.870
where: short stacking energy: -216.976
Base-Backbone interact. energy: -0.778
local terms energy: -308.683243
where:
bonds (distance) C4'-P energy: -73.241
bonds (distance) P-C4' energy: -58.342
flat angles C4'-P-C4' energy: -68.629
flat angles P-C4'-P energy: -45.371
tors. eta vs tors. theta energy: -63.101
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 287
Temperature: 1.100000
Total energy: -588.405434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -588.405434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -588.405434 (E_RNA)
where:
Base-Base interactions energy: -330.646
where: short stacking energy: -181.518
Base-Backbone interact. energy: -0.318
local terms energy: -257.441269
where:
bonds (distance) C4'-P energy: -50.157
bonds (distance) P-C4' energy: -60.856
flat angles C4'-P-C4' energy: -65.618
flat angles P-C4'-P energy: -43.555
tors. eta vs tors. theta energy: -37.257
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 287
Temperature: 1.150000
Total energy: -560.757218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -560.757218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -560.757218 (E_RNA)
where:
Base-Base interactions energy: -313.458
where: short stacking energy: -150.882
Base-Backbone interact. energy: 3.114
local terms energy: -250.412923
where:
bonds (distance) C4'-P energy: -50.317
bonds (distance) P-C4' energy: -67.010
flat angles C4'-P-C4' energy: -69.185
flat angles P-C4'-P energy: -43.608
tors. eta vs tors. theta energy: -20.293
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 287
Temperature: 1.200000
Total energy: -411.911763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.911763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.911763 (E_RNA)
where:
Base-Base interactions energy: -195.873
where: short stacking energy: -110.486
Base-Backbone interact. energy: 0.156
local terms energy: -216.194166
where:
bonds (distance) C4'-P energy: -57.742
bonds (distance) P-C4' energy: -65.409
flat angles C4'-P-C4' energy: -55.569
flat angles P-C4'-P energy: -33.281
tors. eta vs tors. theta energy: -4.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 287
Temperature: 1.250000
Total energy: -330.082872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.082872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.082872 (E_RNA)
where:
Base-Base interactions energy: -124.395
where: short stacking energy: -89.796
Base-Backbone interact. energy: -0.452
local terms energy: -205.236070
where:
bonds (distance) C4'-P energy: -52.129
bonds (distance) P-C4' energy: -61.173
flat angles C4'-P-C4' energy: -43.827
flat angles P-C4'-P energy: -38.295
tors. eta vs tors. theta energy: -9.813
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: 9
=====================================
Write number: 287
Temperature: 1.300000
Total energy: -282.951709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.951709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.951709 (E_RNA)
where:
Base-Base interactions energy: -97.659
where: short stacking energy: -74.255
Base-Backbone interact. energy: 0.153
local terms energy: -185.445780
where:
bonds (distance) C4'-P energy: -55.273
bonds (distance) P-C4' energy: -52.444
flat angles C4'-P-C4' energy: -58.763
flat angles P-C4'-P energy: -25.806
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: 10, replica: 7
=====================================
Write number: 287
Temperature: 1.350000
Total energy: -275.346210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.346210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.346210 (E_RNA)
where:
Base-Base interactions energy: -100.704
where: short stacking energy: -83.577
Base-Backbone interact. energy: 1.197
local terms energy: -175.838540
where:
bonds (distance) C4'-P energy: -41.189
bonds (distance) P-C4' energy: -55.536
flat angles C4'-P-C4' energy: -60.764
flat angles P-C4'-P energy: -24.328
tors. eta vs tors. theta energy: 5.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 288
Temperature: 0.900000
Total energy: -1123.214169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1123.214169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1123.214169 (E_RNA)
where:
Base-Base interactions energy: -751.679
where: short stacking energy: -352.304
Base-Backbone interact. energy: -0.046
local terms energy: -371.489798
where:
bonds (distance) C4'-P energy: -63.709
bonds (distance) P-C4' energy: -73.279
flat angles C4'-P-C4' energy: -76.049
flat angles P-C4'-P energy: -45.977
tors. eta vs tors. theta energy: -112.476
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 288
Temperature: 0.950000
Total energy: -1044.042333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1044.042333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1044.042333 (E_RNA)
where:
Base-Base interactions energy: -676.309
where: short stacking energy: -323.195
Base-Backbone interact. energy: -0.060
local terms energy: -367.673554
where:
bonds (distance) C4'-P energy: -64.582
bonds (distance) P-C4' energy: -70.392
flat angles C4'-P-C4' energy: -82.204
flat angles P-C4'-P energy: -48.815
tors. eta vs tors. theta energy: -101.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 288
Temperature: 1.000000
Total energy: -970.044627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -970.044627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -970.044627 (E_RNA)
where:
Base-Base interactions energy: -615.107
where: short stacking energy: -298.216
Base-Backbone interact. energy: -0.822
local terms energy: -354.115431
where:
bonds (distance) C4'-P energy: -63.100
bonds (distance) P-C4' energy: -65.970
flat angles C4'-P-C4' energy: -79.584
flat angles P-C4'-P energy: -45.139
tors. eta vs tors. theta energy: -100.322
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 288
Temperature: 1.050000
Total energy: -789.281682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -789.281682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -789.281682 (E_RNA)
where:
Base-Base interactions energy: -497.513
where: short stacking energy: -236.641
Base-Backbone interact. energy: 0.235
local terms energy: -292.003200
where:
bonds (distance) C4'-P energy: -63.612
bonds (distance) P-C4' energy: -67.212
flat angles C4'-P-C4' energy: -67.869
flat angles P-C4'-P energy: -32.733
tors. eta vs tors. theta energy: -60.577
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 288
Temperature: 1.100000
Total energy: -618.610808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -618.610808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -618.610808 (E_RNA)
where:
Base-Base interactions energy: -362.059
where: short stacking energy: -192.194
Base-Backbone interact. energy: 0.068
local terms energy: -256.619563
where:
bonds (distance) C4'-P energy: -53.493
bonds (distance) P-C4' energy: -72.990
flat angles C4'-P-C4' energy: -60.442
flat angles P-C4'-P energy: -29.251
tors. eta vs tors. theta energy: -40.443
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 288
Temperature: 1.150000
Total energy: -576.354338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -576.354338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -576.354338 (E_RNA)
where:
Base-Base interactions energy: -329.857
where: short stacking energy: -164.340
Base-Backbone interact. energy: -1.466
local terms energy: -245.031770
where:
bonds (distance) C4'-P energy: -50.673
bonds (distance) P-C4' energy: -65.324
flat angles C4'-P-C4' energy: -68.315
flat angles P-C4'-P energy: -37.197
tors. eta vs tors. theta energy: -23.522
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 288
Temperature: 1.200000
Total energy: -408.432297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -408.432297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -408.432297 (E_RNA)
where:
Base-Base interactions energy: -199.815
where: short stacking energy: -116.450
Base-Backbone interact. energy: -1.051
local terms energy: -207.566162
where:
bonds (distance) C4'-P energy: -64.140
bonds (distance) P-C4' energy: -63.398
flat angles C4'-P-C4' energy: -50.450
flat angles P-C4'-P energy: -25.571
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: 8, replica: 8
=====================================
Write number: 288
Temperature: 1.250000
Total energy: -350.748205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.748205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.748205 (E_RNA)
where:
Base-Base interactions energy: -145.376
where: short stacking energy: -128.543
Base-Backbone interact. energy: 3.296
local terms energy: -208.667557
where:
bonds (distance) C4'-P energy: -53.850
bonds (distance) P-C4' energy: -54.701
flat angles C4'-P-C4' energy: -52.872
flat angles P-C4'-P energy: -29.924
tors. eta vs tors. theta energy: -17.321
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: 9
=====================================
Write number: 288
Temperature: 1.300000
Total energy: -311.576706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.576706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.576706 (E_RNA)
where:
Base-Base interactions energy: -111.633
where: short stacking energy: -79.033
Base-Backbone interact. energy: -1.408
local terms energy: -198.535450
where:
bonds (distance) C4'-P energy: -64.009
bonds (distance) P-C4' energy: -53.651
flat angles C4'-P-C4' energy: -54.272
flat angles P-C4'-P energy: -32.677
tors. eta vs tors. theta energy: 6.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 288
Temperature: 1.350000
Total energy: -260.087957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.087957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.087957 (E_RNA)
where:
Base-Base interactions energy: -90.887
where: short stacking energy: -82.276
Base-Backbone interact. energy: 2.312
local terms energy: -171.512797
where:
bonds (distance) C4'-P energy: -41.583
bonds (distance) P-C4' energy: -63.225
flat angles C4'-P-C4' energy: -53.198
flat angles P-C4'-P energy: -27.220
tors. eta vs tors. theta energy: 13.713
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: 4
=====================================
Write number: 289
Temperature: 0.900000
Total energy: -1109.239393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1109.239393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1109.239393 (E_RNA)
where:
Base-Base interactions energy: -733.316
where: short stacking energy: -336.363
Base-Backbone interact. energy: 2.146
local terms energy: -378.069625
where:
bonds (distance) C4'-P energy: -68.330
bonds (distance) P-C4' energy: -74.513
flat angles C4'-P-C4' energy: -75.677
flat angles P-C4'-P energy: -46.164
tors. eta vs tors. theta energy: -113.386
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 289
Temperature: 0.950000
Total energy: -1036.960831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1036.960831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1036.960831 (E_RNA)
where:
Base-Base interactions energy: -677.063
where: short stacking energy: -325.033
Base-Backbone interact. energy: -3.340
local terms energy: -356.557195
where:
bonds (distance) C4'-P energy: -74.316
bonds (distance) P-C4' energy: -66.646
flat angles C4'-P-C4' energy: -65.756
flat angles P-C4'-P energy: -50.011
tors. eta vs tors. theta energy: -99.829
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: 5
=====================================
Write number: 289
Temperature: 1.000000
Total energy: -942.921467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -942.921467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -942.921467 (E_RNA)
where:
Base-Base interactions energy: -576.902
where: short stacking energy: -277.982
Base-Backbone interact. energy: -1.210
local terms energy: -364.809339
where:
bonds (distance) C4'-P energy: -77.389
bonds (distance) P-C4' energy: -65.800
flat angles C4'-P-C4' energy: -78.424
flat angles P-C4'-P energy: -54.522
tors. eta vs tors. theta energy: -88.674
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 289
Temperature: 1.050000
Total energy: -793.241998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -793.241998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -793.241998 (E_RNA)
where:
Base-Base interactions energy: -500.497
where: short stacking energy: -227.748
Base-Backbone interact. energy: -3.054
local terms energy: -289.690599
where:
bonds (distance) C4'-P energy: -59.714
bonds (distance) P-C4' energy: -64.522
flat angles C4'-P-C4' energy: -64.206
flat angles P-C4'-P energy: -40.154
tors. eta vs tors. theta energy: -61.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 289
Temperature: 1.100000
Total energy: -619.355017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -619.355017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -619.355017 (E_RNA)
where:
Base-Base interactions energy: -330.968
where: short stacking energy: -168.612
Base-Backbone interact. energy: 0.519
local terms energy: -288.906103
where:
bonds (distance) C4'-P energy: -60.012
bonds (distance) P-C4' energy: -76.998
flat angles C4'-P-C4' energy: -64.082
flat angles P-C4'-P energy: -41.733
tors. eta vs tors. theta energy: -46.081
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 289
Temperature: 1.150000
Total energy: -578.858117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -578.858117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -578.858117 (E_RNA)
where:
Base-Base interactions energy: -330.817
where: short stacking energy: -174.943
Base-Backbone interact. energy: -0.343
local terms energy: -247.698666
where:
bonds (distance) C4'-P energy: -50.752
bonds (distance) P-C4' energy: -66.254
flat angles C4'-P-C4' energy: -67.173
flat angles P-C4'-P energy: -25.400
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: 7, replica: 10
=====================================
Write number: 289
Temperature: 1.200000
Total energy: -397.275213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -397.275213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -397.275213 (E_RNA)
where:
Base-Base interactions energy: -185.820
where: short stacking energy: -94.360
Base-Backbone interact. energy: -2.894
local terms energy: -208.562039
where:
bonds (distance) C4'-P energy: -56.493
bonds (distance) P-C4' energy: -64.115
flat angles C4'-P-C4' energy: -58.651
flat angles P-C4'-P energy: -37.699
tors. eta vs tors. theta energy: 8.396
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 289
Temperature: 1.250000
Total energy: -343.392056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.392056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.392056 (E_RNA)
where:
Base-Base interactions energy: -149.787
where: short stacking energy: -102.003
Base-Backbone interact. energy: 5.761
local terms energy: -199.366406
where:
bonds (distance) C4'-P energy: -57.278
bonds (distance) P-C4' energy: -61.725
flat angles C4'-P-C4' energy: -58.103
flat angles P-C4'-P energy: -28.178
tors. eta vs tors. theta energy: 5.917
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 289
Temperature: 1.300000
Total energy: -277.192989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.192989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.192989 (E_RNA)
where:
Base-Base interactions energy: -109.799
where: short stacking energy: -86.186
Base-Backbone interact. energy: 3.811
local terms energy: -171.204720
where:
bonds (distance) C4'-P energy: -55.227
bonds (distance) P-C4' energy: -52.766
flat angles C4'-P-C4' energy: -44.604
flat angles P-C4'-P energy: -29.461
tors. eta vs tors. theta energy: 10.854
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 289
Temperature: 1.350000
Total energy: -273.251395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.251395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.251395 (E_RNA)
where:
Base-Base interactions energy: -88.429
where: short stacking energy: -76.261
Base-Backbone interact. energy: 7.409
local terms energy: -192.230945
where:
bonds (distance) C4'-P energy: -67.954
bonds (distance) P-C4' energy: -64.366
flat angles C4'-P-C4' energy: -47.992
flat angles P-C4'-P energy: -29.220
tors. eta vs tors. theta energy: 17.301
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 290
Temperature: 0.900000
Total energy: -1112.623663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1112.623663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1112.623663 (E_RNA)
where:
Base-Base interactions energy: -732.152
where: short stacking energy: -348.062
Base-Backbone interact. energy: -0.242
local terms energy: -380.230262
where:
bonds (distance) C4'-P energy: -70.786
bonds (distance) P-C4' energy: -64.214
flat angles C4'-P-C4' energy: -79.571
flat angles P-C4'-P energy: -52.431
tors. eta vs tors. theta energy: -113.229
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: 1
=====================================
Write number: 290
Temperature: 0.950000
Total energy: -1040.660334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1040.660334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1040.660334 (E_RNA)
where:
Base-Base interactions energy: -680.802
where: short stacking energy: -320.265
Base-Backbone interact. energy: -1.029
local terms energy: -358.829840
where:
bonds (distance) C4'-P energy: -51.016
bonds (distance) P-C4' energy: -71.492
flat angles C4'-P-C4' energy: -77.194
flat angles P-C4'-P energy: -54.553
tors. eta vs tors. theta energy: -104.576
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 290
Temperature: 1.000000
Total energy: -912.521987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -912.521987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -912.521987 (E_RNA)
where:
Base-Base interactions energy: -590.107
where: short stacking energy: -256.298
Base-Backbone interact. energy: -2.288
local terms energy: -320.126887
where:
bonds (distance) C4'-P energy: -52.467
bonds (distance) P-C4' energy: -62.218
flat angles C4'-P-C4' energy: -73.384
flat angles P-C4'-P energy: -51.603
tors. eta vs tors. theta energy: -80.455
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 290
Temperature: 1.050000
Total energy: -759.302553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -759.302553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -759.302553 (E_RNA)
where:
Base-Base interactions energy: -464.337
where: short stacking energy: -225.539
Base-Backbone interact. energy: -1.146
local terms energy: -293.819844
where:
bonds (distance) C4'-P energy: -68.211
bonds (distance) P-C4' energy: -65.347
flat angles C4'-P-C4' energy: -66.384
flat angles P-C4'-P energy: -45.618
tors. eta vs tors. theta energy: -48.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 290
Temperature: 1.100000
Total energy: -617.937828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -617.937828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -617.937828 (E_RNA)
where:
Base-Base interactions energy: -355.405
where: short stacking energy: -183.680
Base-Backbone interact. energy: -0.649
local terms energy: -261.884096
where:
bonds (distance) C4'-P energy: -69.752
bonds (distance) P-C4' energy: -63.371
flat angles C4'-P-C4' energy: -52.639
flat angles P-C4'-P energy: -30.542
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: 2
=====================================
Write number: 290
Temperature: 1.150000
Total energy: -574.238683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -574.238683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -574.238683 (E_RNA)
where:
Base-Base interactions energy: -305.929
where: short stacking energy: -184.744
Base-Backbone interact. energy: 0.234
local terms energy: -268.542726
where:
bonds (distance) C4'-P energy: -56.486
bonds (distance) P-C4' energy: -72.905
flat angles C4'-P-C4' energy: -58.428
flat angles P-C4'-P energy: -43.181
tors. eta vs tors. theta energy: -37.544
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 290
Temperature: 1.200000
Total energy: -387.019431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -387.019431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -387.019431 (E_RNA)
where:
Base-Base interactions energy: -186.970
where: short stacking energy: -134.136
Base-Backbone interact. energy: -0.192
local terms energy: -199.857432
where:
bonds (distance) C4'-P energy: -50.561
bonds (distance) P-C4' energy: -65.186
flat angles C4'-P-C4' energy: -36.360
flat angles P-C4'-P energy: -30.403
tors. eta vs tors. theta energy: -17.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 290
Temperature: 1.250000
Total energy: -340.806715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.806715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.806715 (E_RNA)
where:
Base-Base interactions energy: -129.779
where: short stacking energy: -111.453
Base-Backbone interact. energy: 0.216
local terms energy: -211.243228
where:
bonds (distance) C4'-P energy: -54.203
bonds (distance) P-C4' energy: -67.753
flat angles C4'-P-C4' energy: -45.164
flat angles P-C4'-P energy: -35.424
tors. eta vs tors. theta energy: -8.700
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 290
Temperature: 1.300000
Total energy: -307.761599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.761599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.761599 (E_RNA)
where:
Base-Base interactions energy: -104.611
where: short stacking energy: -88.346
Base-Backbone interact. energy: 0.351
local terms energy: -203.501473
where:
bonds (distance) C4'-P energy: -58.048
bonds (distance) P-C4' energy: -67.572
flat angles C4'-P-C4' energy: -52.650
flat angles P-C4'-P energy: -37.534
tors. eta vs tors. theta energy: 12.302
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 290
Temperature: 1.350000
Total energy: -259.887656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.887656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.887656 (E_RNA)
where:
Base-Base interactions energy: -82.297
where: short stacking energy: -71.568
Base-Backbone interact. energy: -0.903
local terms energy: -176.687472
where:
bonds (distance) C4'-P energy: -58.453
bonds (distance) P-C4' energy: -65.726
flat angles C4'-P-C4' energy: -30.894
flat angles P-C4'-P energy: -33.673
tors. eta vs tors. theta energy: 12.059
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: 4
=====================================
Write number: 291
Temperature: 0.900000
Total energy: -1127.190384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1127.190384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1127.190384 (E_RNA)
where:
Base-Base interactions energy: -743.838
where: short stacking energy: -343.539
Base-Backbone interact. energy: -0.273
local terms energy: -383.079698
where:
bonds (distance) C4'-P energy: -75.167
bonds (distance) P-C4' energy: -66.771
flat angles C4'-P-C4' energy: -78.416
flat angles P-C4'-P energy: -52.068
tors. eta vs tors. theta energy: -110.658
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: 291
Temperature: 0.950000
Total energy: -995.913585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -995.913585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -995.913585 (E_RNA)
where:
Base-Base interactions energy: -644.440
where: short stacking energy: -301.571
Base-Backbone interact. energy: -0.397
local terms energy: -351.077146
where:
bonds (distance) C4'-P energy: -69.472
bonds (distance) P-C4' energy: -61.991
flat angles C4'-P-C4' energy: -70.992
flat angles P-C4'-P energy: -44.548
tors. eta vs tors. theta energy: -104.075
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: 5
=====================================
Write number: 291
Temperature: 1.000000
Total energy: -934.876159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -934.876159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -934.876159 (E_RNA)
where:
Base-Base interactions energy: -595.736
where: short stacking energy: -281.311
Base-Backbone interact. energy: -0.916
local terms energy: -338.224028
where:
bonds (distance) C4'-P energy: -60.130
bonds (distance) P-C4' energy: -58.030
flat angles C4'-P-C4' energy: -79.482
flat angles P-C4'-P energy: -49.822
tors. eta vs tors. theta energy: -90.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 291
Temperature: 1.050000
Total energy: -760.216118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -760.216118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -760.216118 (E_RNA)
where:
Base-Base interactions energy: -470.617
where: short stacking energy: -216.778
Base-Backbone interact. energy: -2.001
local terms energy: -287.597807
where:
bonds (distance) C4'-P energy: -54.473
bonds (distance) P-C4' energy: -75.007
flat angles C4'-P-C4' energy: -69.652
flat angles P-C4'-P energy: -38.108
tors. eta vs tors. theta energy: -50.359
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 291
Temperature: 1.100000
Total energy: -597.431547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -597.431547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -597.431547 (E_RNA)
where:
Base-Base interactions energy: -340.960
where: short stacking energy: -166.959
Base-Backbone interact. energy: -1.589
local terms energy: -254.882183
where:
bonds (distance) C4'-P energy: -59.014
bonds (distance) P-C4' energy: -62.806
flat angles C4'-P-C4' energy: -60.296
flat angles P-C4'-P energy: -44.156
tors. eta vs tors. theta energy: -28.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 291
Temperature: 1.150000
Total energy: -571.564245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -571.564245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -571.564245 (E_RNA)
where:
Base-Base interactions energy: -315.600
where: short stacking energy: -162.704
Base-Backbone interact. energy: -2.879
local terms energy: -253.085039
where:
bonds (distance) C4'-P energy: -57.455
bonds (distance) P-C4' energy: -57.020
flat angles C4'-P-C4' energy: -71.032
flat angles P-C4'-P energy: -37.916
tors. eta vs tors. theta energy: -29.662
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 291
Temperature: 1.200000
Total energy: -430.125201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -430.125201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -430.125201 (E_RNA)
where:
Base-Base interactions energy: -197.393
where: short stacking energy: -123.932
Base-Backbone interact. energy: 3.407
local terms energy: -236.138641
where:
bonds (distance) C4'-P energy: -58.605
bonds (distance) P-C4' energy: -64.123
flat angles C4'-P-C4' energy: -56.353
flat angles P-C4'-P energy: -40.362
tors. eta vs tors. theta energy: -16.696
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 291
Temperature: 1.250000
Total energy: -309.618950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.618950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.618950 (E_RNA)
where:
Base-Base interactions energy: -105.473
where: short stacking energy: -68.806
Base-Backbone interact. energy: 1.973
local terms energy: -206.118963
where:
bonds (distance) C4'-P energy: -65.663
bonds (distance) P-C4' energy: -63.751
flat angles C4'-P-C4' energy: -46.339
flat angles P-C4'-P energy: -41.503
tors. eta vs tors. theta energy: 11.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 291
Temperature: 1.300000
Total energy: -320.046931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.046931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.046931 (E_RNA)
where:
Base-Base interactions energy: -119.776
where: short stacking energy: -99.426
Base-Backbone interact. energy: -1.015
local terms energy: -199.256416
where:
bonds (distance) C4'-P energy: -33.234
bonds (distance) P-C4' energy: -55.967
flat angles C4'-P-C4' energy: -63.632
flat angles P-C4'-P energy: -32.952
tors. eta vs tors. theta energy: -13.471
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 291
Temperature: 1.350000
Total energy: -276.354477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.354477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.354477 (E_RNA)
where:
Base-Base interactions energy: -89.890
where: short stacking energy: -80.237
Base-Backbone interact. energy: 2.011
local terms energy: -188.476324
where:
bonds (distance) C4'-P energy: -53.498
bonds (distance) P-C4' energy: -65.002
flat angles C4'-P-C4' energy: -41.637
flat angles P-C4'-P energy: -37.072
tors. eta vs tors. theta energy: 8.733
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 292
Temperature: 0.900000
Total energy: -1105.865926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1105.865926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1105.865926 (E_RNA)
where:
Base-Base interactions energy: -733.871
where: short stacking energy: -344.453
Base-Backbone interact. energy: -0.979
local terms energy: -371.016189
where:
bonds (distance) C4'-P energy: -64.440
bonds (distance) P-C4' energy: -69.047
flat angles C4'-P-C4' energy: -71.824
flat angles P-C4'-P energy: -46.617
tors. eta vs tors. theta energy: -119.087
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: 2, replica: 1
=====================================
Write number: 292
Temperature: 0.950000
Total energy: -1022.736882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1022.736882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1022.736882 (E_RNA)
where:
Base-Base interactions energy: -662.247
where: short stacking energy: -290.642
Base-Backbone interact. energy: -0.945
local terms energy: -359.544637
where:
bonds (distance) C4'-P energy: -72.622
bonds (distance) P-C4' energy: -64.273
flat angles C4'-P-C4' energy: -73.098
flat angles P-C4'-P energy: -45.794
tors. eta vs tors. theta energy: -103.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 292
Temperature: 1.000000
Total energy: -885.056819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -885.056819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -885.056819 (E_RNA)
where:
Base-Base interactions energy: -571.003
where: short stacking energy: -263.204
Base-Backbone interact. energy: -1.544
local terms energy: -312.509750
where:
bonds (distance) C4'-P energy: -57.717
bonds (distance) P-C4' energy: -61.313
flat angles C4'-P-C4' energy: -74.639
flat angles P-C4'-P energy: -47.716
tors. eta vs tors. theta energy: -71.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 292
Temperature: 1.050000
Total energy: -765.900736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -765.900736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -765.900736 (E_RNA)
where:
Base-Base interactions energy: -479.961
where: short stacking energy: -212.664
Base-Backbone interact. energy: -1.443
local terms energy: -284.496872
where:
bonds (distance) C4'-P energy: -57.034
bonds (distance) P-C4' energy: -64.053
flat angles C4'-P-C4' energy: -71.277
flat angles P-C4'-P energy: -44.264
tors. eta vs tors. theta energy: -47.868
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: 6
=====================================
Write number: 292
Temperature: 1.100000
Total energy: -617.178193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -617.178193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -617.178193 (E_RNA)
where:
Base-Base interactions energy: -354.032
where: short stacking energy: -177.995
Base-Backbone interact. energy: -1.847
local terms energy: -261.298779
where:
bonds (distance) C4'-P energy: -58.801
bonds (distance) P-C4' energy: -60.955
flat angles C4'-P-C4' energy: -56.182
flat angles P-C4'-P energy: -43.682
tors. eta vs tors. theta energy: -41.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 292
Temperature: 1.150000
Total energy: -551.818077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.818077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.818077 (E_RNA)
where:
Base-Base interactions energy: -302.164
where: short stacking energy: -147.736
Base-Backbone interact. energy: -2.981
local terms energy: -246.672400
where:
bonds (distance) C4'-P energy: -53.269
bonds (distance) P-C4' energy: -71.610
flat angles C4'-P-C4' energy: -71.958
flat angles P-C4'-P energy: -32.460
tors. eta vs tors. theta energy: -17.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 292
Temperature: 1.200000
Total energy: -428.190506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -428.190506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -428.190506 (E_RNA)
where:
Base-Base interactions energy: -204.956
where: short stacking energy: -128.634
Base-Backbone interact. energy: -2.664
local terms energy: -220.570140
where:
bonds (distance) C4'-P energy: -55.259
bonds (distance) P-C4' energy: -68.614
flat angles C4'-P-C4' energy: -52.626
flat angles P-C4'-P energy: -28.287
tors. eta vs tors. theta energy: -15.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 292
Temperature: 1.250000
Total energy: -316.057244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.057244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.057244 (E_RNA)
where:
Base-Base interactions energy: -130.362
where: short stacking energy: -106.322
Base-Backbone interact. energy: -0.795
local terms energy: -184.900897
where:
bonds (distance) C4'-P energy: -54.952
bonds (distance) P-C4' energy: -68.460
flat angles C4'-P-C4' energy: -38.664
flat angles P-C4'-P energy: -27.350
tors. eta vs tors. theta energy: 4.526
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 292
Temperature: 1.300000
Total energy: -328.752021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.752021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.752021 (E_RNA)
where:
Base-Base interactions energy: -123.353
where: short stacking energy: -98.970
Base-Backbone interact. energy: -0.496
local terms energy: -204.902528
where:
bonds (distance) C4'-P energy: -54.779
bonds (distance) P-C4' energy: -53.600
flat angles C4'-P-C4' energy: -58.294
flat angles P-C4'-P energy: -34.189
tors. eta vs tors. theta energy: -4.041
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: 10, replica: 10
=====================================
Write number: 292
Temperature: 1.350000
Total energy: -282.504548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.504548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.504548 (E_RNA)
where:
Base-Base interactions energy: -96.304
where: short stacking energy: -79.156
Base-Backbone interact. energy: -0.160
local terms energy: -186.040422
where:
bonds (distance) C4'-P energy: -46.900
bonds (distance) P-C4' energy: -64.527
flat angles C4'-P-C4' energy: -47.470
flat angles P-C4'-P energy: -30.605
tors. eta vs tors. theta energy: 3.462
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 293
Temperature: 0.900000
Total energy: -1100.642169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1100.642169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1100.642169 (E_RNA)
where:
Base-Base interactions energy: -725.622
where: short stacking energy: -341.826
Base-Backbone interact. energy: 2.832
local terms energy: -377.851715
where:
bonds (distance) C4'-P energy: -66.395
bonds (distance) P-C4' energy: -73.420
flat angles C4'-P-C4' energy: -73.259
flat angles P-C4'-P energy: -50.989
tors. eta vs tors. theta energy: -113.789
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: 1
=====================================
Write number: 293
Temperature: 0.950000
Total energy: -1035.500019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1035.500019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1035.500019 (E_RNA)
where:
Base-Base interactions energy: -681.595
where: short stacking energy: -319.463
Base-Backbone interact. energy: 0.493
local terms energy: -354.397824
where:
bonds (distance) C4'-P energy: -69.820
bonds (distance) P-C4' energy: -70.817
flat angles C4'-P-C4' energy: -69.042
flat angles P-C4'-P energy: -42.364
tors. eta vs tors. theta energy: -102.355
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 293
Temperature: 1.000000
Total energy: -901.167113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -901.167113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -901.167113 (E_RNA)
where:
Base-Base interactions energy: -576.681
where: short stacking energy: -280.824
Base-Backbone interact. energy: -1.460
local terms energy: -323.025936
where:
bonds (distance) C4'-P energy: -70.615
bonds (distance) P-C4' energy: -66.334
flat angles C4'-P-C4' energy: -65.539
flat angles P-C4'-P energy: -38.618
tors. eta vs tors. theta energy: -81.920
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 293
Temperature: 1.050000
Total energy: -800.290102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -800.290102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -800.290102 (E_RNA)
where:
Base-Base interactions energy: -487.438
where: short stacking energy: -241.240
Base-Backbone interact. energy: -1.142
local terms energy: -311.710265
where:
bonds (distance) C4'-P energy: -56.317
bonds (distance) P-C4' energy: -77.755
flat angles C4'-P-C4' energy: -75.524
flat angles P-C4'-P energy: -38.617
tors. eta vs tors. theta energy: -63.498
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 293
Temperature: 1.100000
Total energy: -621.161987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -621.161987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -621.161987 (E_RNA)
where:
Base-Base interactions energy: -343.340
where: short stacking energy: -142.216
Base-Backbone interact. energy: -1.525
local terms energy: -276.296883
where:
bonds (distance) C4'-P energy: -71.994
bonds (distance) P-C4' energy: -72.874
flat angles C4'-P-C4' energy: -56.405
flat angles P-C4'-P energy: -48.245
tors. eta vs tors. theta energy: -26.779
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: 6, replica: 2
=====================================
Write number: 293
Temperature: 1.150000
Total energy: -506.724721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.724721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.724721 (E_RNA)
where:
Base-Base interactions energy: -272.340
where: short stacking energy: -119.010
Base-Backbone interact. energy: 0.446
local terms energy: -234.831117
where:
bonds (distance) C4'-P energy: -60.951
bonds (distance) P-C4' energy: -67.421
flat angles C4'-P-C4' energy: -60.812
flat angles P-C4'-P energy: -29.359
tors. eta vs tors. theta energy: -16.288
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: 8
=====================================
Write number: 293
Temperature: 1.200000
Total energy: -390.631969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -390.631969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -390.631969 (E_RNA)
where:
Base-Base interactions energy: -167.584
where: short stacking energy: -115.210
Base-Backbone interact. energy: 1.237
local terms energy: -224.285207
where:
bonds (distance) C4'-P energy: -61.618
bonds (distance) P-C4' energy: -64.337
flat angles C4'-P-C4' energy: -41.435
flat angles P-C4'-P energy: -44.709
tors. eta vs tors. theta energy: -12.185
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 293
Temperature: 1.250000
Total energy: -361.969782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.969782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.969782 (E_RNA)
where:
Base-Base interactions energy: -164.344
where: short stacking energy: -107.435
Base-Backbone interact. energy: 0.630
local terms energy: -198.255213
where:
bonds (distance) C4'-P energy: -57.769
bonds (distance) P-C4' energy: -65.311
flat angles C4'-P-C4' energy: -56.833
flat angles P-C4'-P energy: -18.923
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: 9
=====================================
Write number: 293
Temperature: 1.300000
Total energy: -297.763454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.763454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.763454 (E_RNA)
where:
Base-Base interactions energy: -120.010
where: short stacking energy: -107.566
Base-Backbone interact. energy: 3.135
local terms energy: -180.888417
where:
bonds (distance) C4'-P energy: -66.412
bonds (distance) P-C4' energy: -61.413
flat angles C4'-P-C4' energy: -39.538
flat angles P-C4'-P energy: -22.693
tors. eta vs tors. theta energy: 9.166
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: 10
=====================================
Write number: 293
Temperature: 1.350000
Total energy: -286.723080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.723080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.723080 (E_RNA)
where:
Base-Base interactions energy: -103.424
where: short stacking energy: -79.445
Base-Backbone interact. energy: 0.031
local terms energy: -183.330400
where:
bonds (distance) C4'-P energy: -61.160
bonds (distance) P-C4' energy: -49.738
flat angles C4'-P-C4' energy: -49.706
flat angles P-C4'-P energy: -23.439
tors. eta vs tors. theta energy: 0.712
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 294
Temperature: 0.900000
Total energy: -1110.878822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1110.878822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1110.878822 (E_RNA)
where:
Base-Base interactions energy: -738.832
where: short stacking energy: -336.257
Base-Backbone interact. energy: -0.560
local terms energy: -371.485940
where:
bonds (distance) C4'-P energy: -65.450
bonds (distance) P-C4' energy: -63.237
flat angles C4'-P-C4' energy: -78.190
flat angles P-C4'-P energy: -53.798
tors. eta vs tors. theta energy: -110.811
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 294
Temperature: 0.950000
Total energy: -988.650270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -988.650270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -988.650270 (E_RNA)
where:
Base-Base interactions energy: -626.597
where: short stacking energy: -300.024
Base-Backbone interact. energy: 0.752
local terms energy: -362.805514
where:
bonds (distance) C4'-P energy: -64.628
bonds (distance) P-C4' energy: -73.619
flat angles C4'-P-C4' energy: -75.341
flat angles P-C4'-P energy: -49.941
tors. eta vs tors. theta energy: -99.276
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 294
Temperature: 1.000000
Total energy: -912.854837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -912.854837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -912.854837 (E_RNA)
where:
Base-Base interactions energy: -569.957
where: short stacking energy: -292.826
Base-Backbone interact. energy: -2.206
local terms energy: -340.692642
where:
bonds (distance) C4'-P energy: -58.454
bonds (distance) P-C4' energy: -69.969
flat angles C4'-P-C4' energy: -70.845
flat angles P-C4'-P energy: -51.343
tors. eta vs tors. theta energy: -90.081
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 294
Temperature: 1.050000
Total energy: -744.790096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -744.790096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -744.790096 (E_RNA)
where:
Base-Base interactions energy: -464.354
where: short stacking energy: -215.999
Base-Backbone interact. energy: -1.266
local terms energy: -279.169851
where:
bonds (distance) C4'-P energy: -56.459
bonds (distance) P-C4' energy: -60.679
flat angles C4'-P-C4' energy: -72.603
flat angles P-C4'-P energy: -37.043
tors. eta vs tors. theta energy: -52.386
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 294
Temperature: 1.100000
Total energy: -622.860122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -622.860122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -622.860122 (E_RNA)
where:
Base-Base interactions energy: -364.864
where: short stacking energy: -172.327
Base-Backbone interact. energy: 0.403
local terms energy: -258.398993
where:
bonds (distance) C4'-P energy: -64.908
bonds (distance) P-C4' energy: -73.734
flat angles C4'-P-C4' energy: -59.161
flat angles P-C4'-P energy: -25.696
tors. eta vs tors. theta energy: -34.901
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: 2
=====================================
Write number: 294
Temperature: 1.150000
Total energy: -466.934803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -466.934803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -466.934803 (E_RNA)
where:
Base-Base interactions energy: -237.035
where: short stacking energy: -129.564
Base-Backbone interact. energy: 0.679
local terms energy: -230.578364
where:
bonds (distance) C4'-P energy: -61.917
bonds (distance) P-C4' energy: -66.795
flat angles C4'-P-C4' energy: -55.779
flat angles P-C4'-P energy: -30.815
tors. eta vs tors. theta energy: -15.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 294
Temperature: 1.200000
Total energy: -403.757524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.757524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -403.757524 (E_RNA)
where:
Base-Base interactions energy: -161.079
where: short stacking energy: -88.456
Base-Backbone interact. energy: -1.343
local terms energy: -241.335306
where:
bonds (distance) C4'-P energy: -61.767
bonds (distance) P-C4' energy: -67.216
flat angles C4'-P-C4' energy: -64.671
flat angles P-C4'-P energy: -38.693
tors. eta vs tors. theta energy: -8.988
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 294
Temperature: 1.250000
Total energy: -391.631266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.631266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -391.631266 (E_RNA)
where:
Base-Base interactions energy: -167.617
where: short stacking energy: -116.610
Base-Backbone interact. energy: -1.462
local terms energy: -222.551927
where:
bonds (distance) C4'-P energy: -67.471
bonds (distance) P-C4' energy: -58.286
flat angles C4'-P-C4' energy: -44.108
flat angles P-C4'-P energy: -38.481
tors. eta vs tors. theta energy: -14.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 294
Temperature: 1.300000
Total energy: -315.623273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.623273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.623273 (E_RNA)
where:
Base-Base interactions energy: -125.696
where: short stacking energy: -86.722
Base-Backbone interact. energy: -0.386
local terms energy: -189.541497
where:
bonds (distance) C4'-P energy: -63.580
bonds (distance) P-C4' energy: -55.372
flat angles C4'-P-C4' energy: -34.684
flat angles P-C4'-P energy: -40.693
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: 10, replica: 9
=====================================
Write number: 294
Temperature: 1.350000
Total energy: -263.620891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.620891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.620891 (E_RNA)
where:
Base-Base interactions energy: -68.120
where: short stacking energy: -65.080
Base-Backbone interact. energy: -0.311
local terms energy: -195.189815
where:
bonds (distance) C4'-P energy: -62.000
bonds (distance) P-C4' energy: -53.391
flat angles C4'-P-C4' energy: -53.151
flat angles P-C4'-P energy: -36.543
tors. eta vs tors. theta energy: 9.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 295
Temperature: 0.900000
Total energy: -1114.179480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1114.179480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1114.179480 (E_RNA)
where:
Base-Base interactions energy: -747.396
where: short stacking energy: -322.458
Base-Backbone interact. energy: -1.416
local terms energy: -365.368296
where:
bonds (distance) C4'-P energy: -66.991
bonds (distance) P-C4' energy: -75.857
flat angles C4'-P-C4' energy: -68.840
flat angles P-C4'-P energy: -46.446
tors. eta vs tors. theta energy: -107.235
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: 2, replica: 1
=====================================
Write number: 295
Temperature: 0.950000
Total energy: -988.558163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -988.558163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -988.558163 (E_RNA)
where:
Base-Base interactions energy: -640.558
where: short stacking energy: -298.508
Base-Backbone interact. energy: -2.194
local terms energy: -345.805889
where:
bonds (distance) C4'-P energy: -61.528
bonds (distance) P-C4' energy: -77.459
flat angles C4'-P-C4' energy: -68.716
flat angles P-C4'-P energy: -47.714
tors. eta vs tors. theta energy: -90.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 295
Temperature: 1.000000
Total energy: -929.096931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -929.096931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -929.096931 (E_RNA)
where:
Base-Base interactions energy: -587.196
where: short stacking energy: -275.617
Base-Backbone interact. energy: -0.228
local terms energy: -341.672991
where:
bonds (distance) C4'-P energy: -63.274
bonds (distance) P-C4' energy: -72.496
flat angles C4'-P-C4' energy: -75.002
flat angles P-C4'-P energy: -42.022
tors. eta vs tors. theta energy: -88.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 295
Temperature: 1.050000
Total energy: -743.988816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -743.988816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -743.988816 (E_RNA)
where:
Base-Base interactions energy: -467.027
where: short stacking energy: -228.333
Base-Backbone interact. energy: -1.339
local terms energy: -275.623441
where:
bonds (distance) C4'-P energy: -46.162
bonds (distance) P-C4' energy: -68.062
flat angles C4'-P-C4' energy: -70.680
flat angles P-C4'-P energy: -37.393
tors. eta vs tors. theta energy: -53.326
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 295
Temperature: 1.100000
Total energy: -571.299091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -571.299091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -571.299091 (E_RNA)
where:
Base-Base interactions energy: -321.799
where: short stacking energy: -141.885
Base-Backbone interact. energy: -1.662
local terms energy: -247.838108
where:
bonds (distance) C4'-P energy: -60.610
bonds (distance) P-C4' energy: -66.991
flat angles C4'-P-C4' energy: -65.738
flat angles P-C4'-P energy: -32.230
tors. eta vs tors. theta energy: -22.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 295
Temperature: 1.150000
Total energy: -480.161043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -480.161043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -480.161043 (E_RNA)
where:
Base-Base interactions energy: -246.507
where: short stacking energy: -133.257
Base-Backbone interact. energy: -0.783
local terms energy: -232.870972
where:
bonds (distance) C4'-P energy: -58.928
bonds (distance) P-C4' energy: -67.137
flat angles C4'-P-C4' energy: -62.165
flat angles P-C4'-P energy: -31.496
tors. eta vs tors. theta energy: -13.145
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: 8
=====================================
Write number: 295
Temperature: 1.200000
Total energy: -391.995621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.995621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -391.995621 (E_RNA)
where:
Base-Base interactions energy: -180.160
where: short stacking energy: -122.406
Base-Backbone interact. energy: -0.471
local terms energy: -211.364931
where:
bonds (distance) C4'-P energy: -55.834
bonds (distance) P-C4' energy: -57.636
flat angles C4'-P-C4' energy: -57.420
flat angles P-C4'-P energy: -23.278
tors. eta vs tors. theta energy: -17.198
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 295
Temperature: 1.250000
Total energy: -372.953750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -372.953750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -372.953750 (E_RNA)
where:
Base-Base interactions energy: -189.389
where: short stacking energy: -75.353
Base-Backbone interact. energy: -0.568
local terms energy: -182.996520
where:
bonds (distance) C4'-P energy: -54.012
bonds (distance) P-C4' energy: -60.123
flat angles C4'-P-C4' energy: -51.431
flat angles P-C4'-P energy: -25.566
tors. eta vs tors. theta energy: 8.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 295
Temperature: 1.300000
Total energy: -294.336711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.336711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.336711 (E_RNA)
where:
Base-Base interactions energy: -94.104
where: short stacking energy: -71.811
Base-Backbone interact. energy: 1.737
local terms energy: -201.970015
where:
bonds (distance) C4'-P energy: -57.082
bonds (distance) P-C4' energy: -66.879
flat angles C4'-P-C4' energy: -47.805
flat angles P-C4'-P energy: -34.547
tors. eta vs tors. theta energy: 4.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 295
Temperature: 1.350000
Total energy: -278.275557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.275557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.275557 (E_RNA)
where:
Base-Base interactions energy: -86.895
where: short stacking energy: -73.768
Base-Backbone interact. energy: 1.573
local terms energy: -192.953975
where:
bonds (distance) C4'-P energy: -59.040
bonds (distance) P-C4' energy: -52.170
flat angles C4'-P-C4' energy: -53.296
flat angles P-C4'-P energy: -21.087
tors. eta vs tors. theta energy: -7.360
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 296
Temperature: 0.900000
Total energy: -1105.332182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1105.332182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1105.332182 (E_RNA)
where:
Base-Base interactions energy: -739.777
where: short stacking energy: -330.843
Base-Backbone interact. energy: -2.869
local terms energy: -362.686305
where:
bonds (distance) C4'-P energy: -63.821
bonds (distance) P-C4' energy: -67.624
flat angles C4'-P-C4' energy: -70.554
flat angles P-C4'-P energy: -45.846
tors. eta vs tors. theta energy: -114.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 296
Temperature: 0.950000
Total energy: -1035.369453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1035.369453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1035.369453 (E_RNA)
where:
Base-Base interactions energy: -666.370
where: short stacking energy: -288.449
Base-Backbone interact. energy: -2.838
local terms energy: -366.161347
where:
bonds (distance) C4'-P energy: -69.037
bonds (distance) P-C4' energy: -75.196
flat angles C4'-P-C4' energy: -71.733
flat angles P-C4'-P energy: -53.309
tors. eta vs tors. theta energy: -96.886
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: 5
=====================================
Write number: 296
Temperature: 1.000000
Total energy: -940.471169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -940.471169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -940.471169 (E_RNA)
where:
Base-Base interactions energy: -596.423
where: short stacking energy: -288.395
Base-Backbone interact. energy: -0.066
local terms energy: -343.982301
where:
bonds (distance) C4'-P energy: -72.946
bonds (distance) P-C4' energy: -58.369
flat angles C4'-P-C4' energy: -76.372
flat angles P-C4'-P energy: -51.792
tors. eta vs tors. theta energy: -84.504
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 296
Temperature: 1.050000
Total energy: -753.329964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -753.329964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -753.329964 (E_RNA)
where:
Base-Base interactions energy: -438.860
where: short stacking energy: -225.117
Base-Backbone interact. energy: -0.626
local terms energy: -313.843647
where:
bonds (distance) C4'-P energy: -72.748
bonds (distance) P-C4' energy: -68.107
flat angles C4'-P-C4' energy: -66.461
flat angles P-C4'-P energy: -42.873
tors. eta vs tors. theta energy: -63.655
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: 5, replica: 6
=====================================
Write number: 296
Temperature: 1.100000
Total energy: -563.823444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -563.823444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -563.823444 (E_RNA)
where:
Base-Base interactions energy: -306.674
where: short stacking energy: -160.666
Base-Backbone interact. energy: -1.179
local terms energy: -255.970726
where:
bonds (distance) C4'-P energy: -75.589
bonds (distance) P-C4' energy: -51.199
flat angles C4'-P-C4' energy: -69.127
flat angles P-C4'-P energy: -38.308
tors. eta vs tors. theta energy: -21.748
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 296
Temperature: 1.150000
Total energy: -492.337327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.337327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.337327 (E_RNA)
where:
Base-Base interactions energy: -241.575
where: short stacking energy: -120.707
Base-Backbone interact. energy: -0.368
local terms energy: -250.393483
where:
bonds (distance) C4'-P energy: -67.461
bonds (distance) P-C4' energy: -58.393
flat angles C4'-P-C4' energy: -67.678
flat angles P-C4'-P energy: -30.191
tors. eta vs tors. theta energy: -26.671
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: 7
=====================================
Write number: 296
Temperature: 1.200000
Total energy: -447.067427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -447.067427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -447.067427 (E_RNA)
where:
Base-Base interactions energy: -213.132
where: short stacking energy: -124.020
Base-Backbone interact. energy: -0.455
local terms energy: -233.480491
where:
bonds (distance) C4'-P energy: -61.119
bonds (distance) P-C4' energy: -73.402
flat angles C4'-P-C4' energy: -49.750
flat angles P-C4'-P energy: -38.056
tors. eta vs tors. theta energy: -11.154
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 296
Temperature: 1.250000
Total energy: -360.817920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.817920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.817920 (E_RNA)
where:
Base-Base interactions energy: -141.313
where: short stacking energy: -101.987
Base-Backbone interact. energy: -1.928
local terms energy: -217.576648
where:
bonds (distance) C4'-P energy: -57.686
bonds (distance) P-C4' energy: -60.131
flat angles C4'-P-C4' energy: -55.844
flat angles P-C4'-P energy: -38.013
tors. eta vs tors. theta energy: -5.902
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: 9
=====================================
Write number: 296
Temperature: 1.300000
Total energy: -280.845024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.845024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.845024 (E_RNA)
where:
Base-Base interactions energy: -103.057
where: short stacking energy: -95.345
Base-Backbone interact. energy: 4.074
local terms energy: -181.862166
where:
bonds (distance) C4'-P energy: -50.717
bonds (distance) P-C4' energy: -65.151
flat angles C4'-P-C4' energy: -50.480
flat angles P-C4'-P energy: -24.615
tors. eta vs tors. theta energy: 9.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 296
Temperature: 1.350000
Total energy: -290.829319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.829319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.829319 (E_RNA)
where:
Base-Base interactions energy: -115.125
where: short stacking energy: -89.347
Base-Backbone interact. energy: 2.417
local terms energy: -178.121338
where:
bonds (distance) C4'-P energy: -44.864
bonds (distance) P-C4' energy: -57.345
flat angles C4'-P-C4' energy: -57.303
flat angles P-C4'-P energy: -17.104
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: 4
=====================================
Write number: 297
Temperature: 0.900000
Total energy: -1105.735441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1105.735441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1105.735441 (E_RNA)
where:
Base-Base interactions energy: -730.131
where: short stacking energy: -348.267
Base-Backbone interact. energy: -0.819
local terms energy: -374.785196
where:
bonds (distance) C4'-P energy: -70.002
bonds (distance) P-C4' energy: -59.283
flat angles C4'-P-C4' energy: -76.738
flat angles P-C4'-P energy: -54.909
tors. eta vs tors. theta energy: -113.853
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 297
Temperature: 0.950000
Total energy: -1033.447633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1033.447633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1033.447633 (E_RNA)
where:
Base-Base interactions energy: -681.036
where: short stacking energy: -322.104
Base-Backbone interact. energy: -1.047
local terms energy: -351.364686
where:
bonds (distance) C4'-P energy: -60.757
bonds (distance) P-C4' energy: -70.535
flat angles C4'-P-C4' energy: -80.045
flat angles P-C4'-P energy: -42.799
tors. eta vs tors. theta energy: -97.229
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 297
Temperature: 1.000000
Total energy: -928.753987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -928.753987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -928.753987 (E_RNA)
where:
Base-Base interactions energy: -591.922
where: short stacking energy: -291.679
Base-Backbone interact. energy: -2.927
local terms energy: -333.904656
where:
bonds (distance) C4'-P energy: -61.798
bonds (distance) P-C4' energy: -66.737
flat angles C4'-P-C4' energy: -77.018
flat angles P-C4'-P energy: -47.206
tors. eta vs tors. theta energy: -81.145
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 297
Temperature: 1.050000
Total energy: -775.412683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -775.412683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -775.412683 (E_RNA)
where:
Base-Base interactions energy: -492.002
where: short stacking energy: -213.082
Base-Backbone interact. energy: -1.285
local terms energy: -282.126085
where:
bonds (distance) C4'-P energy: -70.637
bonds (distance) P-C4' energy: -50.838
flat angles C4'-P-C4' energy: -67.956
flat angles P-C4'-P energy: -42.065
tors. eta vs tors. theta energy: -50.630
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 297
Temperature: 1.100000
Total energy: -548.601352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.601352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.601352 (E_RNA)
where:
Base-Base interactions energy: -296.937
where: short stacking energy: -177.255
Base-Backbone interact. energy: -0.586
local terms energy: -251.078216
where:
bonds (distance) C4'-P energy: -54.626
bonds (distance) P-C4' energy: -59.042
flat angles C4'-P-C4' energy: -62.419
flat angles P-C4'-P energy: -35.539
tors. eta vs tors. theta energy: -39.452
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: 7
=====================================
Write number: 297
Temperature: 1.150000
Total energy: -460.988246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -460.988246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -460.988246 (E_RNA)
where:
Base-Base interactions energy: -246.226
where: short stacking energy: -148.910
Base-Backbone interact. energy: 1.365
local terms energy: -216.127604
where:
bonds (distance) C4'-P energy: -46.700
bonds (distance) P-C4' energy: -62.769
flat angles C4'-P-C4' energy: -64.667
flat angles P-C4'-P energy: -40.232
tors. eta vs tors. theta energy: -1.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 297
Temperature: 1.200000
Total energy: -452.585308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -452.585308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -452.585308 (E_RNA)
where:
Base-Base interactions energy: -222.630
where: short stacking energy: -129.581
Base-Backbone interact. energy: -1.324
local terms energy: -228.630718
where:
bonds (distance) C4'-P energy: -69.293
bonds (distance) P-C4' energy: -59.310
flat angles C4'-P-C4' energy: -58.627
flat angles P-C4'-P energy: -24.698
tors. eta vs tors. theta energy: -16.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 297
Temperature: 1.250000
Total energy: -313.134120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.134120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.134120 (E_RNA)
where:
Base-Base interactions energy: -116.836
where: short stacking energy: -81.454
Base-Backbone interact. energy: 0.456
local terms energy: -196.754162
where:
bonds (distance) C4'-P energy: -63.517
bonds (distance) P-C4' energy: -61.948
flat angles C4'-P-C4' energy: -55.352
flat angles P-C4'-P energy: -21.737
tors. eta vs tors. theta energy: 5.800
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 297
Temperature: 1.300000
Total energy: -312.362798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.362798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.362798 (E_RNA)
where:
Base-Base interactions energy: -120.830
where: short stacking energy: -90.354
Base-Backbone interact. energy: -0.530
local terms energy: -191.003022
where:
bonds (distance) C4'-P energy: -48.710
bonds (distance) P-C4' energy: -59.323
flat angles C4'-P-C4' energy: -57.498
flat angles P-C4'-P energy: -31.750
tors. eta vs tors. theta energy: 6.277
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: 10
=====================================
Write number: 297
Temperature: 1.350000
Total energy: -283.937104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.937104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.937104 (E_RNA)
where:
Base-Base interactions energy: -102.549
where: short stacking energy: -78.404
Base-Backbone interact. energy: 0.412
local terms energy: -181.799965
where:
bonds (distance) C4'-P energy: -59.992
bonds (distance) P-C4' energy: -56.013
flat angles C4'-P-C4' energy: -46.076
flat angles P-C4'-P energy: -27.782
tors. eta vs tors. theta energy: 8.064
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: 1, replica: 4
=====================================
Write number: 298
Temperature: 0.900000
Total energy: -1116.588129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1116.588129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1116.588129 (E_RNA)
where:
Base-Base interactions energy: -730.432
where: short stacking energy: -333.340
Base-Backbone interact. energy: 2.195
local terms energy: -388.351632
where:
bonds (distance) C4'-P energy: -72.703
bonds (distance) P-C4' energy: -63.768
flat angles C4'-P-C4' energy: -80.442
flat angles P-C4'-P energy: -55.945
tors. eta vs tors. theta energy: -115.494
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: 298
Temperature: 0.950000
Total energy: -1021.886404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1021.886404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1021.886404 (E_RNA)
where:
Base-Base interactions energy: -678.058
where: short stacking energy: -295.907
Base-Backbone interact. energy: -1.253
local terms energy: -342.575416
where:
bonds (distance) C4'-P energy: -60.325
bonds (distance) P-C4' energy: -64.180
flat angles C4'-P-C4' energy: -80.215
flat angles P-C4'-P energy: -42.765
tors. eta vs tors. theta energy: -95.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 298
Temperature: 1.000000
Total energy: -904.435114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -904.435114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -904.435114 (E_RNA)
where:
Base-Base interactions energy: -566.628
where: short stacking energy: -285.809
Base-Backbone interact. energy: -1.128
local terms energy: -336.679388
where:
bonds (distance) C4'-P energy: -63.957
bonds (distance) P-C4' energy: -70.009
flat angles C4'-P-C4' energy: -67.260
flat angles P-C4'-P energy: -48.104
tors. eta vs tors. theta energy: -87.350
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: 3
=====================================
Write number: 298
Temperature: 1.050000
Total energy: -784.814092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -784.814092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -784.814092 (E_RNA)
where:
Base-Base interactions energy: -498.792
where: short stacking energy: -214.054
Base-Backbone interact. energy: -1.662
local terms energy: -284.359566
where:
bonds (distance) C4'-P energy: -56.108
bonds (distance) P-C4' energy: -55.422
flat angles C4'-P-C4' energy: -67.297
flat angles P-C4'-P energy: -40.476
tors. eta vs tors. theta energy: -65.056
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: 6
=====================================
Write number: 298
Temperature: 1.100000
Total energy: -654.700940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -654.700940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -654.700940 (E_RNA)
where:
Base-Base interactions energy: -369.822
where: short stacking energy: -197.985
Base-Backbone interact. energy: -0.651
local terms energy: -284.228274
where:
bonds (distance) C4'-P energy: -69.214
bonds (distance) P-C4' energy: -67.230
flat angles C4'-P-C4' energy: -63.813
flat angles P-C4'-P energy: -39.934
tors. eta vs tors. theta energy: -44.037
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: 7
=====================================
Write number: 298
Temperature: 1.150000
Total energy: -490.423010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.423010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.423010 (E_RNA)
where:
Base-Base interactions energy: -260.115
where: short stacking energy: -142.655
Base-Backbone interact. energy: -1.012
local terms energy: -229.295897
where:
bonds (distance) C4'-P energy: -66.317
bonds (distance) P-C4' energy: -56.866
flat angles C4'-P-C4' energy: -48.405
flat angles P-C4'-P energy: -42.641
tors. eta vs tors. theta energy: -15.067
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 298
Temperature: 1.200000
Total energy: -498.930654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.930654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.930654 (E_RNA)
where:
Base-Base interactions energy: -265.686
where: short stacking energy: -131.212
Base-Backbone interact. energy: 2.524
local terms energy: -235.768788
where:
bonds (distance) C4'-P energy: -62.657
bonds (distance) P-C4' energy: -60.275
flat angles C4'-P-C4' energy: -63.928
flat angles P-C4'-P energy: -29.257
tors. eta vs tors. theta energy: -19.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 298
Temperature: 1.250000
Total energy: -318.325038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.325038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.325038 (E_RNA)
where:
Base-Base interactions energy: -118.663
where: short stacking energy: -95.691
Base-Backbone interact. energy: -1.992
local terms energy: -197.670034
where:
bonds (distance) C4'-P energy: -55.568
bonds (distance) P-C4' energy: -65.152
flat angles C4'-P-C4' energy: -52.470
flat angles P-C4'-P energy: -30.376
tors. eta vs tors. theta energy: 5.897
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 298
Temperature: 1.300000
Total energy: -297.497624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.497624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.497624 (E_RNA)
where:
Base-Base interactions energy: -104.702
where: short stacking energy: -75.768
Base-Backbone interact. energy: 1.355
local terms energy: -194.150217
where:
bonds (distance) C4'-P energy: -60.765
bonds (distance) P-C4' energy: -50.995
flat angles C4'-P-C4' energy: -48.935
flat angles P-C4'-P energy: -38.364
tors. eta vs tors. theta energy: 4.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 298
Temperature: 1.350000
Total energy: -266.638068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.638068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.638068 (E_RNA)
where:
Base-Base interactions energy: -111.443
where: short stacking energy: -83.194
Base-Backbone interact. energy: 5.110
local terms energy: -160.304757
where:
bonds (distance) C4'-P energy: -52.954
bonds (distance) P-C4' energy: -49.657
flat angles C4'-P-C4' energy: -37.888
flat angles P-C4'-P energy: -35.672
tors. eta vs tors. theta energy: 15.866
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: 4
=====================================
Write number: 299
Temperature: 0.900000
Total energy: -1101.792132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1101.792132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1101.792132 (E_RNA)
where:
Base-Base interactions energy: -721.063
where: short stacking energy: -337.678
Base-Backbone interact. energy: 1.126
local terms energy: -381.855714
where:
bonds (distance) C4'-P energy: -69.217
bonds (distance) P-C4' energy: -64.079
flat angles C4'-P-C4' energy: -81.132
flat angles P-C4'-P energy: -51.999
tors. eta vs tors. theta energy: -115.428
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 299
Temperature: 0.950000
Total energy: -1007.970873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1007.970873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1007.970873 (E_RNA)
where:
Base-Base interactions energy: -657.156
where: short stacking energy: -289.256
Base-Backbone interact. energy: -2.283
local terms energy: -348.532048
where:
bonds (distance) C4'-P energy: -70.078
bonds (distance) P-C4' energy: -64.732
flat angles C4'-P-C4' energy: -67.227
flat angles P-C4'-P energy: -58.522
tors. eta vs tors. theta energy: -87.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 299
Temperature: 1.000000
Total energy: -912.086432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -912.086432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -912.086432 (E_RNA)
where:
Base-Base interactions energy: -581.742
where: short stacking energy: -274.691
Base-Backbone interact. energy: 1.213
local terms energy: -331.557382
where:
bonds (distance) C4'-P energy: -61.738
bonds (distance) P-C4' energy: -65.257
flat angles C4'-P-C4' energy: -64.500
flat angles P-C4'-P energy: -48.014
tors. eta vs tors. theta energy: -92.049
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 299
Temperature: 1.050000
Total energy: -755.774347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -755.774347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -755.774347 (E_RNA)
where:
Base-Base interactions energy: -477.910
where: short stacking energy: -200.778
Base-Backbone interact. energy: -2.234
local terms energy: -275.631024
where:
bonds (distance) C4'-P energy: -60.594
bonds (distance) P-C4' energy: -67.619
flat angles C4'-P-C4' energy: -62.209
flat angles P-C4'-P energy: -45.005
tors. eta vs tors. theta energy: -40.204
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 299
Temperature: 1.100000
Total energy: -667.228493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -667.228493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -667.228493 (E_RNA)
where:
Base-Base interactions energy: -384.704
where: short stacking energy: -202.934
Base-Backbone interact. energy: -0.471
local terms energy: -282.052739
where:
bonds (distance) C4'-P energy: -62.688
bonds (distance) P-C4' energy: -69.761
flat angles C4'-P-C4' energy: -60.842
flat angles P-C4'-P energy: -38.421
tors. eta vs tors. theta energy: -50.340
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: 2
=====================================
Write number: 299
Temperature: 1.150000
Total energy: -497.333733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.333733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.333733 (E_RNA)
where:
Base-Base interactions energy: -288.679
where: short stacking energy: -143.298
Base-Backbone interact. energy: 0.902
local terms energy: -209.557047
where:
bonds (distance) C4'-P energy: -50.757
bonds (distance) P-C4' energy: -53.000
flat angles C4'-P-C4' energy: -56.212
flat angles P-C4'-P energy: -35.488
tors. eta vs tors. theta energy: -14.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 299
Temperature: 1.200000
Total energy: -425.174261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -425.174261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -425.174261 (E_RNA)
where:
Base-Base interactions energy: -193.919
where: short stacking energy: -121.817
Base-Backbone interact. energy: 0.875
local terms energy: -232.130113
where:
bonds (distance) C4'-P energy: -60.806
bonds (distance) P-C4' energy: -63.336
flat angles C4'-P-C4' energy: -55.505
flat angles P-C4'-P energy: -39.552
tors. eta vs tors. theta energy: -12.932
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 299
Temperature: 1.250000
Total energy: -299.534690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.534690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.534690 (E_RNA)
where:
Base-Base interactions energy: -83.810
where: short stacking energy: -69.998
Base-Backbone interact. energy: 1.673
local terms energy: -217.397232
where:
bonds (distance) C4'-P energy: -55.052
bonds (distance) P-C4' energy: -64.739
flat angles C4'-P-C4' energy: -51.313
flat angles P-C4'-P energy: -35.724
tors. eta vs tors. theta energy: -10.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 299
Temperature: 1.300000
Total energy: -292.822982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.822982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.822982 (E_RNA)
where:
Base-Base interactions energy: -103.206
where: short stacking energy: -89.003
Base-Backbone interact. energy: -0.167
local terms energy: -189.449055
where:
bonds (distance) C4'-P energy: -53.401
bonds (distance) P-C4' energy: -54.567
flat angles C4'-P-C4' energy: -51.557
flat angles P-C4'-P energy: -31.866
tors. eta vs tors. theta energy: 1.943
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 299
Temperature: 1.350000
Total energy: -282.108877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.108877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.108877 (E_RNA)
where:
Base-Base interactions energy: -102.795
where: short stacking energy: -74.782
Base-Backbone interact. energy: -0.992
local terms energy: -178.321589
where:
bonds (distance) C4'-P energy: -59.903
bonds (distance) P-C4' energy: -41.077
flat angles C4'-P-C4' energy: -55.573
flat angles P-C4'-P energy: -28.722
tors. eta vs tors. theta energy: 6.954
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 300
Temperature: 0.900000
Total energy: -1123.555379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1123.555379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1123.555379 (E_RNA)
where:
Base-Base interactions energy: -750.094
where: short stacking energy: -336.096
Base-Backbone interact. energy: -1.740
local terms energy: -371.722215
where:
bonds (distance) C4'-P energy: -68.375
bonds (distance) P-C4' energy: -70.586
flat angles C4'-P-C4' energy: -72.551
flat angles P-C4'-P energy: -42.570
tors. eta vs tors. theta energy: -117.640
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 300
Temperature: 0.950000
Total energy: -992.076388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -992.076388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -992.076388 (E_RNA)
where:
Base-Base interactions energy: -643.180
where: short stacking energy: -293.639
Base-Backbone interact. energy: -1.536
local terms energy: -347.359878
where:
bonds (distance) C4'-P energy: -62.894
bonds (distance) P-C4' energy: -72.247
flat angles C4'-P-C4' energy: -67.004
flat angles P-C4'-P energy: -49.452
tors. eta vs tors. theta energy: -95.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 300
Temperature: 1.000000
Total energy: -907.009660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -907.009660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -907.009660 (E_RNA)
where:
Base-Base interactions energy: -576.483
where: short stacking energy: -273.184
Base-Backbone interact. energy: -1.218
local terms energy: -329.309070
where:
bonds (distance) C4'-P energy: -66.608
bonds (distance) P-C4' energy: -53.574
flat angles C4'-P-C4' energy: -76.770
flat angles P-C4'-P energy: -46.200
tors. eta vs tors. theta energy: -86.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 300
Temperature: 1.050000
Total energy: -828.584997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -828.584997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -828.584997 (E_RNA)
where:
Base-Base interactions energy: -523.609
where: short stacking energy: -231.080
Base-Backbone interact. energy: -1.596
local terms energy: -303.380224
where:
bonds (distance) C4'-P energy: -56.556
bonds (distance) P-C4' energy: -69.919
flat angles C4'-P-C4' energy: -69.385
flat angles P-C4'-P energy: -49.238
tors. eta vs tors. theta energy: -58.282
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: 6
=====================================
Write number: 300
Temperature: 1.100000
Total energy: -670.408613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -670.408613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -670.408613 (E_RNA)
where:
Base-Base interactions energy: -369.766
where: short stacking energy: -198.678
Base-Backbone interact. energy: 2.755
local terms energy: -303.397713
where:
bonds (distance) C4'-P energy: -70.630
bonds (distance) P-C4' energy: -70.881
flat angles C4'-P-C4' energy: -73.893
flat angles P-C4'-P energy: -42.831
tors. eta vs tors. theta energy: -45.162
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: 2
=====================================
Write number: 300
Temperature: 1.150000
Total energy: -525.163253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.163253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.163253 (E_RNA)
where:
Base-Base interactions energy: -274.902
where: short stacking energy: -157.087
Base-Backbone interact. energy: -2.409
local terms energy: -247.851461
where:
bonds (distance) C4'-P energy: -66.203
bonds (distance) P-C4' energy: -63.549
flat angles C4'-P-C4' energy: -59.204
flat angles P-C4'-P energy: -31.343
tors. eta vs tors. theta energy: -27.552
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: 7, replica: 7
=====================================
Write number: 300
Temperature: 1.200000
Total energy: -426.780702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -426.780702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -426.780702 (E_RNA)
where:
Base-Base interactions energy: -192.344
where: short stacking energy: -109.762
Base-Backbone interact. energy: -0.964
local terms energy: -233.472747
where:
bonds (distance) C4'-P energy: -68.591
bonds (distance) P-C4' energy: -58.082
flat angles C4'-P-C4' energy: -57.391
flat angles P-C4'-P energy: -36.105
tors. eta vs tors. theta energy: -13.304
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: 10
=====================================
Write number: 300
Temperature: 1.250000
Total energy: -311.684650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.684650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.684650 (E_RNA)
where:
Base-Base interactions energy: -116.412
where: short stacking energy: -94.801
Base-Backbone interact. energy: 2.513
local terms energy: -197.785548
where:
bonds (distance) C4'-P energy: -55.337
bonds (distance) P-C4' energy: -64.337
flat angles C4'-P-C4' energy: -42.400
flat angles P-C4'-P energy: -36.441
tors. eta vs tors. theta energy: 0.730
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: 9
=====================================
Write number: 300
Temperature: 1.300000
Total energy: -299.909146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.909146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.909146 (E_RNA)
where:
Base-Base interactions energy: -109.260
where: short stacking energy: -90.638
Base-Backbone interact. energy: 0.827
local terms energy: -191.475796
where:
bonds (distance) C4'-P energy: -57.602
bonds (distance) P-C4' energy: -68.484
flat angles C4'-P-C4' energy: -41.013
flat angles P-C4'-P energy: -32.947
tors. eta vs tors. theta energy: 8.571
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: 8
=====================================
Write number: 300
Temperature: 1.350000
Total energy: -276.783100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.783100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.783100 (E_RNA)
where:
Base-Base interactions energy: -73.766
where: short stacking energy: -52.523
Base-Backbone interact. energy: -3.481
local terms energy: -199.536037
where:
bonds (distance) C4'-P energy: -51.764
bonds (distance) P-C4' energy: -62.495
flat angles C4'-P-C4' energy: -55.975
flat angles P-C4'-P energy: -38.502
tors. eta vs tors. theta energy: 9.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 301
Temperature: 0.900000
Total energy: -1115.654614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1115.654614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1115.654614 (E_RNA)
where:
Base-Base interactions energy: -732.514
where: short stacking energy: -328.527
Base-Backbone interact. energy: -0.828
local terms energy: -382.312670
where:
bonds (distance) C4'-P energy: -69.894
bonds (distance) P-C4' energy: -71.059
flat angles C4'-P-C4' energy: -84.944
flat angles P-C4'-P energy: -47.551
tors. eta vs tors. theta energy: -108.865
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 301
Temperature: 0.950000
Total energy: -994.149119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -994.149119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -994.149119 (E_RNA)
where:
Base-Base interactions energy: -632.460
where: short stacking energy: -301.521
Base-Backbone interact. energy: -1.709
local terms energy: -359.979820
where:
bonds (distance) C4'-P energy: -67.276
bonds (distance) P-C4' energy: -64.892
flat angles C4'-P-C4' energy: -73.203
flat angles P-C4'-P energy: -49.822
tors. eta vs tors. theta energy: -104.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 301
Temperature: 1.000000
Total energy: -909.859066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -909.859066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -909.859066 (E_RNA)
where:
Base-Base interactions energy: -587.876
where: short stacking energy: -282.656
Base-Backbone interact. energy: -0.875
local terms energy: -321.107870
where:
bonds (distance) C4'-P energy: -65.327
bonds (distance) P-C4' energy: -62.740
flat angles C4'-P-C4' energy: -63.229
flat angles P-C4'-P energy: -46.465
tors. eta vs tors. theta energy: -83.346
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 301
Temperature: 1.050000
Total energy: -846.454028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -846.454028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -846.454028 (E_RNA)
where:
Base-Base interactions energy: -554.504
where: short stacking energy: -251.848
Base-Backbone interact. energy: 1.027
local terms energy: -292.976251
where:
bonds (distance) C4'-P energy: -69.341
bonds (distance) P-C4' energy: -57.516
flat angles C4'-P-C4' energy: -61.211
flat angles P-C4'-P energy: -41.473
tors. eta vs tors. theta energy: -63.435
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 301
Temperature: 1.100000
Total energy: -710.514606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -710.514606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -710.514606 (E_RNA)
where:
Base-Base interactions energy: -419.540
where: short stacking energy: -198.725
Base-Backbone interact. energy: -2.859
local terms energy: -288.115976
where:
bonds (distance) C4'-P energy: -74.583
bonds (distance) P-C4' energy: -62.541
flat angles C4'-P-C4' energy: -66.470
flat angles P-C4'-P energy: -34.419
tors. eta vs tors. theta energy: -50.103
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 301
Temperature: 1.150000
Total energy: -489.526648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -489.526648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -489.526648 (E_RNA)
where:
Base-Base interactions energy: -229.738
where: short stacking energy: -122.799
Base-Backbone interact. energy: -1.030
local terms energy: -258.758547
where:
bonds (distance) C4'-P energy: -61.179
bonds (distance) P-C4' energy: -67.545
flat angles C4'-P-C4' energy: -58.516
flat angles P-C4'-P energy: -54.909
tors. eta vs tors. theta energy: -16.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 301
Temperature: 1.200000
Total energy: -421.534338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.534338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -421.534338 (E_RNA)
where:
Base-Base interactions energy: -166.349
where: short stacking energy: -103.200
Base-Backbone interact. energy: 1.844
local terms energy: -257.030147
where:
bonds (distance) C4'-P energy: -60.897
bonds (distance) P-C4' energy: -70.630
flat angles C4'-P-C4' energy: -66.362
flat angles P-C4'-P energy: -43.271
tors. eta vs tors. theta energy: -15.870
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: 8, replica: 9
=====================================
Write number: 301
Temperature: 1.250000
Total energy: -334.421804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.421804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.421804 (E_RNA)
where:
Base-Base interactions energy: -116.887
where: short stacking energy: -102.323
Base-Backbone interact. energy: -0.607
local terms energy: -216.928315
where:
bonds (distance) C4'-P energy: -73.288
bonds (distance) P-C4' energy: -63.872
flat angles C4'-P-C4' energy: -44.453
flat angles P-C4'-P energy: -33.728
tors. eta vs tors. theta energy: -1.587
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: 9, replica: 10
=====================================
Write number: 301
Temperature: 1.300000
Total energy: -283.591602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.591602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.591602 (E_RNA)
where:
Base-Base interactions energy: -98.398
where: short stacking energy: -67.173
Base-Backbone interact. energy: -1.629
local terms energy: -183.565052
where:
bonds (distance) C4'-P energy: -66.604
bonds (distance) P-C4' energy: -52.273
flat angles C4'-P-C4' energy: -51.625
flat angles P-C4'-P energy: -28.237
tors. eta vs tors. theta energy: 15.175
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 301
Temperature: 1.350000
Total energy: -276.038344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.038344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.038344 (E_RNA)
where:
Base-Base interactions energy: -95.217
where: short stacking energy: -78.471
Base-Backbone interact. energy: -1.031
local terms energy: -179.789784
where:
bonds (distance) C4'-P energy: -52.130
bonds (distance) P-C4' energy: -47.823
flat angles C4'-P-C4' energy: -60.340
flat angles P-C4'-P energy: -34.477
tors. eta vs tors. theta energy: 14.981
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 302
Temperature: 0.900000
Total energy: -1096.245841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1096.245841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1096.245841 (E_RNA)
where:
Base-Base interactions energy: -725.017
where: short stacking energy: -334.566
Base-Backbone interact. energy: -0.696
local terms energy: -370.532893
where:
bonds (distance) C4'-P energy: -65.956
bonds (distance) P-C4' energy: -68.503
flat angles C4'-P-C4' energy: -75.559
flat angles P-C4'-P energy: -46.946
tors. eta vs tors. theta energy: -113.570
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: 2, replica: 1
=====================================
Write number: 302
Temperature: 0.950000
Total energy: -1011.789411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1011.789411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1011.789411 (E_RNA)
where:
Base-Base interactions energy: -649.839
where: short stacking energy: -286.509
Base-Backbone interact. energy: 3.231
local terms energy: -365.180667
where:
bonds (distance) C4'-P energy: -66.819
bonds (distance) P-C4' energy: -58.894
flat angles C4'-P-C4' energy: -77.584
flat angles P-C4'-P energy: -54.174
tors. eta vs tors. theta energy: -107.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 302
Temperature: 1.000000
Total energy: -926.610367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -926.610367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -926.610367 (E_RNA)
where:
Base-Base interactions energy: -602.531
where: short stacking energy: -268.904
Base-Backbone interact. energy: -1.740
local terms energy: -322.338940
where:
bonds (distance) C4'-P energy: -61.760
bonds (distance) P-C4' energy: -62.259
flat angles C4'-P-C4' energy: -67.131
flat angles P-C4'-P energy: -45.982
tors. eta vs tors. theta energy: -85.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 302
Temperature: 1.050000
Total energy: -831.064343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -831.064343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -831.064343 (E_RNA)
where:
Base-Base interactions energy: -505.000
where: short stacking energy: -238.515
Base-Backbone interact. energy: -1.309
local terms energy: -324.755919
where:
bonds (distance) C4'-P energy: -71.342
bonds (distance) P-C4' energy: -65.897
flat angles C4'-P-C4' energy: -68.199
flat angles P-C4'-P energy: -50.255
tors. eta vs tors. theta energy: -69.063
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 302
Temperature: 1.100000
Total energy: -775.881914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -775.881914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -775.881914 (E_RNA)
where:
Base-Base interactions energy: -467.861
where: short stacking energy: -228.212
Base-Backbone interact. energy: 0.684
local terms energy: -308.705380
where:
bonds (distance) C4'-P energy: -62.425
bonds (distance) P-C4' energy: -71.759
flat angles C4'-P-C4' energy: -67.816
flat angles P-C4'-P energy: -39.806
tors. eta vs tors. theta energy: -66.899
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 302
Temperature: 1.150000
Total energy: -491.973596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.973596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.973596 (E_RNA)
where:
Base-Base interactions energy: -271.620
where: short stacking energy: -150.158
Base-Backbone interact. energy: -0.710
local terms energy: -219.643858
where:
bonds (distance) C4'-P energy: -48.503
bonds (distance) P-C4' energy: -65.726
flat angles C4'-P-C4' energy: -61.031
flat angles P-C4'-P energy: -15.023
tors. eta vs tors. theta energy: -29.361
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 302
Temperature: 1.200000
Total energy: -403.668040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.668040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -403.668040 (E_RNA)
where:
Base-Base interactions energy: -189.222
where: short stacking energy: -119.313
Base-Backbone interact. energy: -1.352
local terms energy: -213.094132
where:
bonds (distance) C4'-P energy: -58.389
bonds (distance) P-C4' energy: -63.246
flat angles C4'-P-C4' energy: -48.603
flat angles P-C4'-P energy: -37.441
tors. eta vs tors. theta energy: -5.416
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 302
Temperature: 1.250000
Total energy: -322.903898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.903898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.903898 (E_RNA)
where:
Base-Base interactions energy: -102.104
where: short stacking energy: -98.785
Base-Backbone interact. energy: -1.134
local terms energy: -219.665890
where:
bonds (distance) C4'-P energy: -67.545
bonds (distance) P-C4' energy: -61.228
flat angles C4'-P-C4' energy: -48.827
flat angles P-C4'-P energy: -27.462
tors. eta vs tors. theta energy: -14.604
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 302
Temperature: 1.300000
Total energy: -303.480016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.480016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.480016 (E_RNA)
where:
Base-Base interactions energy: -89.390
where: short stacking energy: -81.601
Base-Backbone interact. energy: 0.810
local terms energy: -214.899455
where:
bonds (distance) C4'-P energy: -51.716
bonds (distance) P-C4' energy: -65.679
flat angles C4'-P-C4' energy: -51.435
flat angles P-C4'-P energy: -39.003
tors. eta vs tors. theta energy: -7.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 302
Temperature: 1.350000
Total energy: -271.937250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.937250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.937250 (E_RNA)
where:
Base-Base interactions energy: -81.856
where: short stacking energy: -77.148
Base-Backbone interact. energy: 0.891
local terms energy: -190.971342
where:
bonds (distance) C4'-P energy: -61.150
bonds (distance) P-C4' energy: -61.013
flat angles C4'-P-C4' energy: -52.688
flat angles P-C4'-P energy: -23.560
tors. eta vs tors. theta energy: 7.439
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: 4
=====================================
Write number: 303
Temperature: 0.900000
Total energy: -1096.278523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1096.278523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1096.278523 (E_RNA)
where:
Base-Base interactions energy: -718.796
where: short stacking energy: -340.038
Base-Backbone interact. energy: -1.933
local terms energy: -375.549118
where:
bonds (distance) C4'-P energy: -69.831
bonds (distance) P-C4' energy: -68.973
flat angles C4'-P-C4' energy: -78.451
flat angles P-C4'-P energy: -47.902
tors. eta vs tors. theta energy: -110.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 303
Temperature: 0.950000
Total energy: -1035.018992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1035.018992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1035.018992 (E_RNA)
where:
Base-Base interactions energy: -663.738
where: short stacking energy: -308.120
Base-Backbone interact. energy: 2.436
local terms energy: -373.717507
where:
bonds (distance) C4'-P energy: -67.653
bonds (distance) P-C4' energy: -71.225
flat angles C4'-P-C4' energy: -72.245
flat angles P-C4'-P energy: -56.138
tors. eta vs tors. theta energy: -106.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 303
Temperature: 1.000000
Total energy: -910.283572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -910.283572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -910.283572 (E_RNA)
where:
Base-Base interactions energy: -586.032
where: short stacking energy: -277.849
Base-Backbone interact. energy: -1.012
local terms energy: -323.239350
where:
bonds (distance) C4'-P energy: -60.566
bonds (distance) P-C4' energy: -75.067
flat angles C4'-P-C4' energy: -70.067
flat angles P-C4'-P energy: -43.435
tors. eta vs tors. theta energy: -74.103
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 303
Temperature: 1.050000
Total energy: -809.894093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -809.894093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -809.894093 (E_RNA)
where:
Base-Base interactions energy: -496.079
where: short stacking energy: -251.635
Base-Backbone interact. energy: 1.594
local terms energy: -315.409250
where:
bonds (distance) C4'-P energy: -68.129
bonds (distance) P-C4' energy: -65.135
flat angles C4'-P-C4' energy: -65.907
flat angles P-C4'-P energy: -47.376
tors. eta vs tors. theta energy: -68.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 303
Temperature: 1.100000
Total energy: -825.497673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -825.497673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -825.497673 (E_RNA)
where:
Base-Base interactions energy: -517.358
where: short stacking energy: -226.724
Base-Backbone interact. energy: 3.900
local terms energy: -312.039656
where:
bonds (distance) C4'-P energy: -68.503
bonds (distance) P-C4' energy: -62.843
flat angles C4'-P-C4' energy: -67.915
flat angles P-C4'-P energy: -46.334
tors. eta vs tors. theta energy: -66.445
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: 7
=====================================
Write number: 303
Temperature: 1.150000
Total energy: -437.469871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -437.469871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -437.469871 (E_RNA)
where:
Base-Base interactions energy: -217.854
where: short stacking energy: -141.197
Base-Backbone interact. energy: -0.599
local terms energy: -219.016245
where:
bonds (distance) C4'-P energy: -49.165
bonds (distance) P-C4' energy: -69.993
flat angles C4'-P-C4' energy: -55.666
flat angles P-C4'-P energy: -17.451
tors. eta vs tors. theta energy: -26.741
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: 2
=====================================
Write number: 303
Temperature: 1.200000
Total energy: -426.613697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -426.613697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -426.613697 (E_RNA)
where:
Base-Base interactions energy: -206.733
where: short stacking energy: -111.632
Base-Backbone interact. energy: -1.843
local terms energy: -218.037622
where:
bonds (distance) C4'-P energy: -60.210
bonds (distance) P-C4' energy: -64.058
flat angles C4'-P-C4' energy: -59.210
flat angles P-C4'-P energy: -30.717
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: 8, replica: 8
=====================================
Write number: 303
Temperature: 1.250000
Total energy: -317.155447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.155447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.155447 (E_RNA)
where:
Base-Base interactions energy: -112.957
where: short stacking energy: -90.810
Base-Backbone interact. energy: -0.740
local terms energy: -203.458438
where:
bonds (distance) C4'-P energy: -42.864
bonds (distance) P-C4' energy: -64.270
flat angles C4'-P-C4' energy: -51.169
flat angles P-C4'-P energy: -35.669
tors. eta vs tors. theta energy: -9.486
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 303
Temperature: 1.300000
Total energy: -282.693018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.693018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.693018 (E_RNA)
where:
Base-Base interactions energy: -95.839
where: short stacking energy: -72.098
Base-Backbone interact. energy: 0.062
local terms energy: -186.915491
where:
bonds (distance) C4'-P energy: -49.263
bonds (distance) P-C4' energy: -64.062
flat angles C4'-P-C4' energy: -56.103
flat angles P-C4'-P energy: -30.509
tors. eta vs tors. theta energy: 13.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 303
Temperature: 1.350000
Total energy: -254.593466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.593466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.593466 (E_RNA)
where:
Base-Base interactions energy: -73.251
where: short stacking energy: -68.250
Base-Backbone interact. energy: 1.407
local terms energy: -182.749610
where:
bonds (distance) C4'-P energy: -47.740
bonds (distance) P-C4' energy: -62.861
flat angles C4'-P-C4' energy: -48.828
flat angles P-C4'-P energy: -28.235
tors. eta vs tors. theta energy: 4.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 304
Temperature: 0.900000
Total energy: -1118.325888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1118.325888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1118.325888 (E_RNA)
where:
Base-Base interactions energy: -746.358
where: short stacking energy: -337.416
Base-Backbone interact. energy: -1.383
local terms energy: -370.585348
where:
bonds (distance) C4'-P energy: -63.176
bonds (distance) P-C4' energy: -79.378
flat angles C4'-P-C4' energy: -69.116
flat angles P-C4'-P energy: -46.263
tors. eta vs tors. theta energy: -112.652
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: 1
=====================================
Write number: 304
Temperature: 0.950000
Total energy: -1006.648576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1006.648576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1006.648576 (E_RNA)
where:
Base-Base interactions energy: -679.298
where: short stacking energy: -321.900
Base-Backbone interact. energy: 0.055
local terms energy: -327.405563
where:
bonds (distance) C4'-P energy: -55.849
bonds (distance) P-C4' energy: -63.791
flat angles C4'-P-C4' energy: -72.875
flat angles P-C4'-P energy: -39.053
tors. eta vs tors. theta energy: -95.837
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: 5
=====================================
Write number: 304
Temperature: 1.000000
Total energy: -903.935865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -903.935865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -903.935865 (E_RNA)
where:
Base-Base interactions energy: -570.168
where: short stacking energy: -270.543
Base-Backbone interact. energy: -0.419
local terms energy: -333.349385
where:
bonds (distance) C4'-P energy: -56.285
bonds (distance) P-C4' energy: -61.058
flat angles C4'-P-C4' energy: -76.483
flat angles P-C4'-P energy: -52.970
tors. eta vs tors. theta energy: -86.553
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 304
Temperature: 1.050000
Total energy: -801.225926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -801.225926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -801.225926 (E_RNA)
where:
Base-Base interactions energy: -498.434
where: short stacking energy: -238.689
Base-Backbone interact. energy: -2.165
local terms energy: -300.626905
where:
bonds (distance) C4'-P energy: -55.557
bonds (distance) P-C4' energy: -59.096
flat angles C4'-P-C4' energy: -72.988
flat angles P-C4'-P energy: -48.240
tors. eta vs tors. theta energy: -64.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 304
Temperature: 1.100000
Total energy: -778.878451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -778.878451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -778.878451 (E_RNA)
where:
Base-Base interactions energy: -480.681
where: short stacking energy: -206.870
Base-Backbone interact. energy: -1.326
local terms energy: -296.871572
where:
bonds (distance) C4'-P energy: -60.831
bonds (distance) P-C4' energy: -63.965
flat angles C4'-P-C4' energy: -71.863
flat angles P-C4'-P energy: -44.709
tors. eta vs tors. theta energy: -55.503
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 304
Temperature: 1.150000
Total energy: -444.095178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -444.095178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -444.095178 (E_RNA)
where:
Base-Base interactions energy: -219.076
where: short stacking energy: -119.073
Base-Backbone interact. energy: -1.394
local terms energy: -223.625565
where:
bonds (distance) C4'-P energy: -66.347
bonds (distance) P-C4' energy: -56.363
flat angles C4'-P-C4' energy: -55.175
flat angles P-C4'-P energy: -37.019
tors. eta vs tors. theta energy: -8.721
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 304
Temperature: 1.200000
Total energy: -396.727591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -396.727591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -396.727591 (E_RNA)
where:
Base-Base interactions energy: -202.523
where: short stacking energy: -112.266
Base-Backbone interact. energy: -1.080
local terms energy: -193.124563
where:
bonds (distance) C4'-P energy: -57.241
bonds (distance) P-C4' energy: -51.577
flat angles C4'-P-C4' energy: -51.018
flat angles P-C4'-P energy: -32.764
tors. eta vs tors. theta energy: -0.524
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 304
Temperature: 1.250000
Total energy: -322.668355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.668355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.668355 (E_RNA)
where:
Base-Base interactions energy: -120.004
where: short stacking energy: -102.044
Base-Backbone interact. energy: 1.731
local terms energy: -204.395432
where:
bonds (distance) C4'-P energy: -46.220
bonds (distance) P-C4' energy: -67.683
flat angles C4'-P-C4' energy: -67.430
flat angles P-C4'-P energy: -29.327
tors. eta vs tors. theta energy: 6.264
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 304
Temperature: 1.300000
Total energy: -287.509406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.509406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.509406 (E_RNA)
where:
Base-Base interactions energy: -103.961
where: short stacking energy: -84.758
Base-Backbone interact. energy: 2.870
local terms energy: -186.417904
where:
bonds (distance) C4'-P energy: -46.834
bonds (distance) P-C4' energy: -65.223
flat angles C4'-P-C4' energy: -57.538
flat angles P-C4'-P energy: -26.650
tors. eta vs tors. theta energy: 9.827
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 304
Temperature: 1.350000
Total energy: -277.478262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.478262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.478262 (E_RNA)
where:
Base-Base interactions energy: -98.395
where: short stacking energy: -77.563
Base-Backbone interact. energy: 0.003
local terms energy: -179.086506
where:
bonds (distance) C4'-P energy: -48.553
bonds (distance) P-C4' energy: -54.737
flat angles C4'-P-C4' energy: -50.768
flat angles P-C4'-P energy: -27.842
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: 1, replica: 4
=====================================
Write number: 305
Temperature: 0.900000
Total energy: -1106.116938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1106.116938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1106.116938 (E_RNA)
where:
Base-Base interactions energy: -737.898
where: short stacking energy: -344.357
Base-Backbone interact. energy: -1.052
local terms energy: -367.166824
where:
bonds (distance) C4'-P energy: -72.249
bonds (distance) P-C4' energy: -66.590
flat angles C4'-P-C4' energy: -67.810
flat angles P-C4'-P energy: -42.056
tors. eta vs tors. theta energy: -118.462
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 305
Temperature: 0.950000
Total energy: -1026.117274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1026.117274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1026.117274 (E_RNA)
where:
Base-Base interactions energy: -665.353
where: short stacking energy: -312.721
Base-Backbone interact. energy: 0.519
local terms energy: -361.283111
where:
bonds (distance) C4'-P energy: -68.944
bonds (distance) P-C4' energy: -68.243
flat angles C4'-P-C4' energy: -76.786
flat angles P-C4'-P energy: -39.210
tors. eta vs tors. theta energy: -108.100
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: 3, replica: 5
=====================================
Write number: 305
Temperature: 1.000000
Total energy: -907.242161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -907.242161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -907.242161 (E_RNA)
where:
Base-Base interactions energy: -581.062
where: short stacking energy: -275.479
Base-Backbone interact. energy: 0.394
local terms energy: -326.573904
where:
bonds (distance) C4'-P energy: -67.256
bonds (distance) P-C4' energy: -63.065
flat angles C4'-P-C4' energy: -64.519
flat angles P-C4'-P energy: -39.440
tors. eta vs tors. theta energy: -92.293
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 305
Temperature: 1.050000
Total energy: -794.838348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -794.838348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -794.838348 (E_RNA)
where:
Base-Base interactions energy: -487.912
where: short stacking energy: -234.044
Base-Backbone interact. energy: -1.496
local terms energy: -305.430163
where:
bonds (distance) C4'-P energy: -65.626
bonds (distance) P-C4' energy: -59.428
flat angles C4'-P-C4' energy: -67.824
flat angles P-C4'-P energy: -45.575
tors. eta vs tors. theta energy: -66.977
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: 3
=====================================
Write number: 305
Temperature: 1.100000
Total energy: -760.903134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -760.903134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -760.903134 (E_RNA)
where:
Base-Base interactions energy: -475.469
where: short stacking energy: -213.720
Base-Backbone interact. energy: 4.522
local terms energy: -289.956124
where:
bonds (distance) C4'-P energy: -69.604
bonds (distance) P-C4' energy: -63.224
flat angles C4'-P-C4' energy: -61.430
flat angles P-C4'-P energy: -41.543
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: 6, replica: 7
=====================================
Write number: 305
Temperature: 1.150000
Total energy: -501.777588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.777588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.777588 (E_RNA)
where:
Base-Base interactions energy: -256.859
where: short stacking energy: -139.149
Base-Backbone interact. energy: -2.133
local terms energy: -242.784945
where:
bonds (distance) C4'-P energy: -59.488
bonds (distance) P-C4' energy: -66.467
flat angles C4'-P-C4' energy: -56.790
flat angles P-C4'-P energy: -37.120
tors. eta vs tors. theta energy: -22.919
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 305
Temperature: 1.200000
Total energy: -399.618448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -399.618448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -399.618448 (E_RNA)
where:
Base-Base interactions energy: -201.528
where: short stacking energy: -127.680
Base-Backbone interact. energy: -0.348
local terms energy: -197.742600
where:
bonds (distance) C4'-P energy: -57.135
bonds (distance) P-C4' energy: -58.883
flat angles C4'-P-C4' energy: -54.661
flat angles P-C4'-P energy: -27.483
tors. eta vs tors. theta energy: 0.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 305
Temperature: 1.250000
Total energy: -322.685254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.685254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.685254 (E_RNA)
where:
Base-Base interactions energy: -110.515
where: short stacking energy: -99.514
Base-Backbone interact. energy: -0.273
local terms energy: -211.897695
where:
bonds (distance) C4'-P energy: -64.397
bonds (distance) P-C4' energy: -67.305
flat angles C4'-P-C4' energy: -56.038
flat angles P-C4'-P energy: -28.179
tors. eta vs tors. theta energy: 4.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 305
Temperature: 1.300000
Total energy: -290.355232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.355232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.355232 (E_RNA)
where:
Base-Base interactions energy: -103.123
where: short stacking energy: -78.822
Base-Backbone interact. energy: 0.870
local terms energy: -188.103002
where:
bonds (distance) C4'-P energy: -62.076
bonds (distance) P-C4' energy: -67.771
flat angles C4'-P-C4' energy: -39.334
flat angles P-C4'-P energy: -29.924
tors. eta vs tors. theta energy: 11.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 305
Temperature: 1.350000
Total energy: -275.157209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.157209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.157209 (E_RNA)
where:
Base-Base interactions energy: -85.277
where: short stacking energy: -79.693
Base-Backbone interact. energy: 2.436
local terms energy: -192.316270
where:
bonds (distance) C4'-P energy: -58.038
bonds (distance) P-C4' energy: -60.797
flat angles C4'-P-C4' energy: -49.747
flat angles P-C4'-P energy: -26.935
tors. eta vs tors. theta energy: 3.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 306
Temperature: 0.900000
Total energy: -1117.382901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1117.382901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1117.382901 (E_RNA)
where:
Base-Base interactions energy: -744.190
where: short stacking energy: -338.708
Base-Backbone interact. energy: -0.575
local terms energy: -372.617022
where:
bonds (distance) C4'-P energy: -71.507
bonds (distance) P-C4' energy: -63.738
flat angles C4'-P-C4' energy: -77.947
flat angles P-C4'-P energy: -44.808
tors. eta vs tors. theta energy: -114.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 306
Temperature: 0.950000
Total energy: -1018.848962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1018.848962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1018.848962 (E_RNA)
where:
Base-Base interactions energy: -661.269
where: short stacking energy: -307.848
Base-Backbone interact. energy: -1.244
local terms energy: -356.336326
where:
bonds (distance) C4'-P energy: -67.076
bonds (distance) P-C4' energy: -75.544
flat angles C4'-P-C4' energy: -67.733
flat angles P-C4'-P energy: -47.051
tors. eta vs tors. theta energy: -98.932
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 306
Temperature: 1.000000
Total energy: -917.026978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -917.026978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -917.026978 (E_RNA)
where:
Base-Base interactions energy: -586.404
where: short stacking energy: -285.721
Base-Backbone interact. energy: -0.521
local terms energy: -330.102140
where:
bonds (distance) C4'-P energy: -46.814
bonds (distance) P-C4' energy: -64.521
flat angles C4'-P-C4' energy: -75.377
flat angles P-C4'-P energy: -52.559
tors. eta vs tors. theta energy: -90.832
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 306
Temperature: 1.050000
Total energy: -736.202581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -736.202581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -736.202581 (E_RNA)
where:
Base-Base interactions energy: -451.850
where: short stacking energy: -228.689
Base-Backbone interact. energy: -1.120
local terms energy: -283.232258
where:
bonds (distance) C4'-P energy: -65.959
bonds (distance) P-C4' energy: -65.639
flat angles C4'-P-C4' energy: -58.373
flat angles P-C4'-P energy: -35.470
tors. eta vs tors. theta energy: -57.791
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 306
Temperature: 1.100000
Total energy: -758.601500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -758.601500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -758.601500 (E_RNA)
where:
Base-Base interactions energy: -467.776
where: short stacking energy: -212.121
Base-Backbone interact. energy: 0.273
local terms energy: -291.098399
where:
bonds (distance) C4'-P energy: -68.254
bonds (distance) P-C4' energy: -60.187
flat angles C4'-P-C4' energy: -71.033
flat angles P-C4'-P energy: -40.720
tors. eta vs tors. theta energy: -50.905
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: 7
=====================================
Write number: 306
Temperature: 1.150000
Total energy: -510.071613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.071613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.071613 (E_RNA)
where:
Base-Base interactions energy: -248.362
where: short stacking energy: -142.735
Base-Backbone interact. energy: -0.661
local terms energy: -261.049053
where:
bonds (distance) C4'-P energy: -66.315
bonds (distance) P-C4' energy: -60.533
flat angles C4'-P-C4' energy: -68.057
flat angles P-C4'-P energy: -42.831
tors. eta vs tors. theta energy: -23.313
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 306
Temperature: 1.200000
Total energy: -364.060896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.060896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.060896 (E_RNA)
where:
Base-Base interactions energy: -154.684
where: short stacking energy: -109.283
Base-Backbone interact. energy: -0.137
local terms energy: -209.239809
where:
bonds (distance) C4'-P energy: -61.720
bonds (distance) P-C4' energy: -59.493
flat angles C4'-P-C4' energy: -45.367
flat angles P-C4'-P energy: -37.395
tors. eta vs tors. theta energy: -5.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 306
Temperature: 1.250000
Total energy: -327.173571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.173571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.173571 (E_RNA)
where:
Base-Base interactions energy: -106.104
where: short stacking energy: -95.404
Base-Backbone interact. energy: -0.697
local terms energy: -220.372410
where:
bonds (distance) C4'-P energy: -60.253
bonds (distance) P-C4' energy: -66.733
flat angles C4'-P-C4' energy: -48.349
flat angles P-C4'-P energy: -42.135
tors. eta vs tors. theta energy: -2.902
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: 10
=====================================
Write number: 306
Temperature: 1.300000
Total energy: -305.712043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.712043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.712043 (E_RNA)
where:
Base-Base interactions energy: -89.674
where: short stacking energy: -73.630
Base-Backbone interact. energy: 0.779
local terms energy: -216.816950
where:
bonds (distance) C4'-P energy: -62.859
bonds (distance) P-C4' energy: -75.708
flat angles C4'-P-C4' energy: -51.001
flat angles P-C4'-P energy: -24.449
tors. eta vs tors. theta energy: -2.801
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 306
Temperature: 1.350000
Total energy: -261.914517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.914517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.914517 (E_RNA)
where:
Base-Base interactions energy: -97.086
where: short stacking energy: -66.514
Base-Backbone interact. energy: 1.506
local terms energy: -166.335053
where:
bonds (distance) C4'-P energy: -53.780
bonds (distance) P-C4' energy: -50.773
flat angles C4'-P-C4' energy: -49.573
flat angles P-C4'-P energy: -24.372
tors. eta vs tors. theta energy: 12.162
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 307
Temperature: 0.900000
Total energy: -1114.357498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1114.357498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1114.357498 (E_RNA)
where:
Base-Base interactions energy: -728.964
where: short stacking energy: -337.521
Base-Backbone interact. energy: -1.217
local terms energy: -384.176116
where:
bonds (distance) C4'-P energy: -63.826
bonds (distance) P-C4' energy: -65.763
flat angles C4'-P-C4' energy: -81.043
flat angles P-C4'-P energy: -54.325
tors. eta vs tors. theta energy: -119.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 307
Temperature: 0.950000
Total energy: -1038.295094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1038.295094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1038.295094 (E_RNA)
where:
Base-Base interactions energy: -684.711
where: short stacking energy: -319.037
Base-Backbone interact. energy: -0.520
local terms energy: -353.064834
where:
bonds (distance) C4'-P energy: -59.796
bonds (distance) P-C4' energy: -72.045
flat angles C4'-P-C4' energy: -78.666
flat angles P-C4'-P energy: -43.973
tors. eta vs tors. theta energy: -98.584
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: 3, replica: 5
=====================================
Write number: 307
Temperature: 1.000000
Total energy: -902.717044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -902.717044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -902.717044 (E_RNA)
where:
Base-Base interactions energy: -559.956
where: short stacking energy: -265.394
Base-Backbone interact. energy: -2.240
local terms energy: -340.520312
where:
bonds (distance) C4'-P energy: -74.666
bonds (distance) P-C4' energy: -71.467
flat angles C4'-P-C4' energy: -71.388
flat angles P-C4'-P energy: -47.206
tors. eta vs tors. theta energy: -75.793
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 307
Temperature: 1.050000
Total energy: -721.683748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -721.683748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -721.683748 (E_RNA)
where:
Base-Base interactions energy: -429.699
where: short stacking energy: -206.655
Base-Backbone interact. energy: -0.902
local terms energy: -291.082904
where:
bonds (distance) C4'-P energy: -71.616
bonds (distance) P-C4' energy: -64.758
flat angles C4'-P-C4' energy: -57.354
flat angles P-C4'-P energy: -44.807
tors. eta vs tors. theta energy: -52.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 307
Temperature: 1.100000
Total energy: -733.256328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -733.256328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -733.256328 (E_RNA)
where:
Base-Base interactions energy: -444.128
where: short stacking energy: -218.789
Base-Backbone interact. energy: -2.258
local terms energy: -286.869898
where:
bonds (distance) C4'-P energy: -57.888
bonds (distance) P-C4' energy: -61.593
flat angles C4'-P-C4' energy: -67.042
flat angles P-C4'-P energy: -48.580
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: 6, replica: 7
=====================================
Write number: 307
Temperature: 1.150000
Total energy: -499.244905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.244905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.244905 (E_RNA)
where:
Base-Base interactions energy: -261.539
where: short stacking energy: -150.476
Base-Backbone interact. energy: 1.072
local terms energy: -238.777306
where:
bonds (distance) C4'-P energy: -47.101
bonds (distance) P-C4' energy: -59.958
flat angles C4'-P-C4' energy: -56.270
flat angles P-C4'-P energy: -42.462
tors. eta vs tors. theta energy: -32.986
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 307
Temperature: 1.200000
Total energy: -330.625771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.625771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.625771 (E_RNA)
where:
Base-Base interactions energy: -124.206
where: short stacking energy: -89.627
Base-Backbone interact. energy: -1.273
local terms energy: -205.146912
where:
bonds (distance) C4'-P energy: -52.978
bonds (distance) P-C4' energy: -58.246
flat angles C4'-P-C4' energy: -57.185
flat angles P-C4'-P energy: -35.350
tors. eta vs tors. theta energy: -1.388
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: 9
=====================================
Write number: 307
Temperature: 1.250000
Total energy: -327.506075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.506075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.506075 (E_RNA)
where:
Base-Base interactions energy: -130.704
where: short stacking energy: -92.176
Base-Backbone interact. energy: 0.283
local terms energy: -197.085548
where:
bonds (distance) C4'-P energy: -58.292
bonds (distance) P-C4' energy: -60.286
flat angles C4'-P-C4' energy: -49.495
flat angles P-C4'-P energy: -27.004
tors. eta vs tors. theta energy: -2.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 307
Temperature: 1.300000
Total energy: -316.392911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.392911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.392911 (E_RNA)
where:
Base-Base interactions energy: -111.444
where: short stacking energy: -90.064
Base-Backbone interact. energy: 0.727
local terms energy: -205.676001
where:
bonds (distance) C4'-P energy: -61.811
bonds (distance) P-C4' energy: -65.353
flat angles C4'-P-C4' energy: -47.130
flat angles P-C4'-P energy: -27.361
tors. eta vs tors. theta energy: -4.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 307
Temperature: 1.350000
Total energy: -299.028518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.028518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.028518 (E_RNA)
where:
Base-Base interactions energy: -122.638
where: short stacking energy: -82.056
Base-Backbone interact. energy: -1.853
local terms energy: -174.537780
where:
bonds (distance) C4'-P energy: -59.507
bonds (distance) P-C4' energy: -58.206
flat angles C4'-P-C4' energy: -51.062
flat angles P-C4'-P energy: -21.565
tors. eta vs tors. theta energy: 15.802
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 308
Temperature: 0.900000
Total energy: -1111.518070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1111.518070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1111.518070 (E_RNA)
where:
Base-Base interactions energy: -722.512
where: short stacking energy: -327.715
Base-Backbone interact. energy: -0.376
local terms energy: -388.630099
where:
bonds (distance) C4'-P energy: -65.882
bonds (distance) P-C4' energy: -76.905
flat angles C4'-P-C4' energy: -81.051
flat angles P-C4'-P energy: -53.953
tors. eta vs tors. theta energy: -110.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 308
Temperature: 0.950000
Total energy: -1003.676756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1003.676756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1003.676756 (E_RNA)
where:
Base-Base interactions energy: -648.485
where: short stacking energy: -323.832
Base-Backbone interact. energy: -0.074
local terms energy: -355.118556
where:
bonds (distance) C4'-P energy: -73.733
bonds (distance) P-C4' energy: -61.499
flat angles C4'-P-C4' energy: -76.769
flat angles P-C4'-P energy: -43.307
tors. eta vs tors. theta energy: -99.812
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: 5
=====================================
Write number: 308
Temperature: 1.000000
Total energy: -908.566419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -908.566419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -908.566419 (E_RNA)
where:
Base-Base interactions energy: -566.669
where: short stacking energy: -261.131
Base-Backbone interact. energy: -0.798
local terms energy: -341.099060
where:
bonds (distance) C4'-P energy: -67.164
bonds (distance) P-C4' energy: -65.906
flat angles C4'-P-C4' energy: -72.271
flat angles P-C4'-P energy: -47.162
tors. eta vs tors. theta energy: -88.597
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 308
Temperature: 1.050000
Total energy: -709.668571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -709.668571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -709.668571 (E_RNA)
where:
Base-Base interactions energy: -413.647
where: short stacking energy: -205.059
Base-Backbone interact. energy: -0.965
local terms energy: -295.056873
where:
bonds (distance) C4'-P energy: -67.399
bonds (distance) P-C4' energy: -62.917
flat angles C4'-P-C4' energy: -76.051
flat angles P-C4'-P energy: -39.202
tors. eta vs tors. theta energy: -49.488
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 308
Temperature: 1.100000
Total energy: -727.796930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -727.796930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -727.796930 (E_RNA)
where:
Base-Base interactions energy: -446.560
where: short stacking energy: -203.622
Base-Backbone interact. energy: -1.575
local terms energy: -279.661366
where:
bonds (distance) C4'-P energy: -57.195
bonds (distance) P-C4' energy: -55.593
flat angles C4'-P-C4' energy: -71.612
flat angles P-C4'-P energy: -41.086
tors. eta vs tors. theta energy: -54.175
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 308
Temperature: 1.150000
Total energy: -463.403792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -463.403792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -463.403792 (E_RNA)
where:
Base-Base interactions energy: -239.039
where: short stacking energy: -142.233
Base-Backbone interact. energy: -0.674
local terms energy: -223.690837
where:
bonds (distance) C4'-P energy: -64.543
bonds (distance) P-C4' energy: -47.472
flat angles C4'-P-C4' energy: -56.761
flat angles P-C4'-P energy: -37.778
tors. eta vs tors. theta energy: -17.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 308
Temperature: 1.200000
Total energy: -353.005534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.005534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.005534 (E_RNA)
where:
Base-Base interactions energy: -135.539
where: short stacking energy: -97.433
Base-Backbone interact. energy: 1.050
local terms energy: -218.517216
where:
bonds (distance) C4'-P energy: -62.312
bonds (distance) P-C4' energy: -71.458
flat angles C4'-P-C4' energy: -59.827
flat angles P-C4'-P energy: -24.456
tors. eta vs tors. theta energy: -0.465
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: 9
=====================================
Write number: 308
Temperature: 1.250000
Total energy: -296.868348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.868348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.868348 (E_RNA)
where:
Base-Base interactions energy: -99.215
where: short stacking energy: -76.979
Base-Backbone interact. energy: -0.994
local terms energy: -196.659442
where:
bonds (distance) C4'-P energy: -67.704
bonds (distance) P-C4' energy: -59.631
flat angles C4'-P-C4' energy: -42.373
flat angles P-C4'-P energy: -34.507
tors. eta vs tors. theta energy: 7.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 308
Temperature: 1.300000
Total energy: -314.374640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.374640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.374640 (E_RNA)
where:
Base-Base interactions energy: -111.920
where: short stacking energy: -69.913
Base-Backbone interact. energy: 2.211
local terms energy: -204.665746
where:
bonds (distance) C4'-P energy: -51.675
bonds (distance) P-C4' energy: -66.618
flat angles C4'-P-C4' energy: -48.690
flat angles P-C4'-P energy: -47.253
tors. eta vs tors. theta energy: 9.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 308
Temperature: 1.350000
Total energy: -286.438099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.438099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.438099 (E_RNA)
where:
Base-Base interactions energy: -99.703
where: short stacking energy: -78.680
Base-Backbone interact. energy: -0.909
local terms energy: -185.825388
where:
bonds (distance) C4'-P energy: -56.262
bonds (distance) P-C4' energy: -54.087
flat angles C4'-P-C4' energy: -40.776
flat angles P-C4'-P energy: -36.602
tors. eta vs tors. theta energy: 1.902
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 309
Temperature: 0.900000
Total energy: -1116.654766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1116.654766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1116.654766 (E_RNA)
where:
Base-Base interactions energy: -719.834
where: short stacking energy: -327.251
Base-Backbone interact. energy: -0.420
local terms energy: -396.400420
where:
bonds (distance) C4'-P energy: -69.862
bonds (distance) P-C4' energy: -76.383
flat angles C4'-P-C4' energy: -80.475
flat angles P-C4'-P energy: -55.272
tors. eta vs tors. theta energy: -114.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 309
Temperature: 0.950000
Total energy: -1026.427431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1026.427431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1026.427431 (E_RNA)
where:
Base-Base interactions energy: -663.194
where: short stacking energy: -323.229
Base-Backbone interact. energy: -1.096
local terms energy: -362.137019
where:
bonds (distance) C4'-P energy: -61.340
bonds (distance) P-C4' energy: -65.897
flat angles C4'-P-C4' energy: -76.469
flat angles P-C4'-P energy: -50.008
tors. eta vs tors. theta energy: -108.423
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 309
Temperature: 1.000000
Total energy: -910.335175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -910.335175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -910.335175 (E_RNA)
where:
Base-Base interactions energy: -570.564
where: short stacking energy: -267.905
Base-Backbone interact. energy: -2.707
local terms energy: -337.064323
where:
bonds (distance) C4'-P energy: -61.785
bonds (distance) P-C4' energy: -64.383
flat angles C4'-P-C4' energy: -69.174
flat angles P-C4'-P energy: -54.985
tors. eta vs tors. theta energy: -86.737
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 309
Temperature: 1.050000
Total energy: -794.139221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -794.139221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -794.139221 (E_RNA)
where:
Base-Base interactions energy: -487.251
where: short stacking energy: -218.999
Base-Backbone interact. energy: -0.687
local terms energy: -306.201125
where:
bonds (distance) C4'-P energy: -46.590
bonds (distance) P-C4' energy: -71.097
flat angles C4'-P-C4' energy: -69.944
flat angles P-C4'-P energy: -52.000
tors. eta vs tors. theta energy: -66.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 309
Temperature: 1.100000
Total energy: -661.399416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -661.399416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -661.399416 (E_RNA)
where:
Base-Base interactions energy: -386.008
where: short stacking energy: -185.617
Base-Backbone interact. energy: -2.332
local terms energy: -273.059686
where:
bonds (distance) C4'-P energy: -63.728
bonds (distance) P-C4' energy: -60.619
flat angles C4'-P-C4' energy: -59.539
flat angles P-C4'-P energy: -41.249
tors. eta vs tors. theta energy: -47.924
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 309
Temperature: 1.150000
Total energy: -463.364207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -463.364207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -463.364207 (E_RNA)
where:
Base-Base interactions energy: -232.121
where: short stacking energy: -131.927
Base-Backbone interact. energy: -1.258
local terms energy: -229.985891
where:
bonds (distance) C4'-P energy: -61.440
bonds (distance) P-C4' energy: -49.063
flat angles C4'-P-C4' energy: -59.325
flat angles P-C4'-P energy: -40.837
tors. eta vs tors. theta energy: -19.320
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 309
Temperature: 1.200000
Total energy: -376.690660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -376.690660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -376.690660 (E_RNA)
where:
Base-Base interactions energy: -146.863
where: short stacking energy: -106.598
Base-Backbone interact. energy: -1.346
local terms energy: -228.481846
where:
bonds (distance) C4'-P energy: -59.339
bonds (distance) P-C4' energy: -63.442
flat angles C4'-P-C4' energy: -48.687
flat angles P-C4'-P energy: -38.694
tors. eta vs tors. theta energy: -18.319
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 309
Temperature: 1.250000
Total energy: -339.371698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.371698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.371698 (E_RNA)
where:
Base-Base interactions energy: -132.458
where: short stacking energy: -124.616
Base-Backbone interact. energy: 7.206
local terms energy: -214.119863
where:
bonds (distance) C4'-P energy: -49.629
bonds (distance) P-C4' energy: -54.544
flat angles C4'-P-C4' energy: -60.918
flat angles P-C4'-P energy: -31.765
tors. eta vs tors. theta energy: -17.262
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: 9
=====================================
Write number: 309
Temperature: 1.300000
Total energy: -284.092663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.092663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.092663 (E_RNA)
where:
Base-Base interactions energy: -86.661
where: short stacking energy: -62.450
Base-Backbone interact. energy: 3.633
local terms energy: -201.065329
where:
bonds (distance) C4'-P energy: -71.966
bonds (distance) P-C4' energy: -71.597
flat angles C4'-P-C4' energy: -54.016
flat angles P-C4'-P energy: -22.425
tors. eta vs tors. theta energy: 18.939
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 309
Temperature: 1.350000
Total energy: -281.988564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.988564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.988564 (E_RNA)
where:
Base-Base interactions energy: -86.046
where: short stacking energy: -77.800
Base-Backbone interact. energy: -1.596
local terms energy: -194.345902
where:
bonds (distance) C4'-P energy: -56.949
bonds (distance) P-C4' energy: -62.886
flat angles C4'-P-C4' energy: -49.793
flat angles P-C4'-P energy: -40.020
tors. eta vs tors. theta energy: 15.302
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: 4
=====================================
Write number: 310
Temperature: 0.900000
Total energy: -1117.509231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1117.509231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1117.509231 (E_RNA)
where:
Base-Base interactions energy: -736.887
where: short stacking energy: -357.575
Base-Backbone interact. energy: 0.819
local terms energy: -381.440449
where:
bonds (distance) C4'-P energy: -65.128
bonds (distance) P-C4' energy: -68.488
flat angles C4'-P-C4' energy: -83.926
flat angles P-C4'-P energy: -46.724
tors. eta vs tors. theta energy: -117.175
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: 310
Temperature: 0.950000
Total energy: -1003.824431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1003.824431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1003.824431 (E_RNA)
where:
Base-Base interactions energy: -640.767
where: short stacking energy: -292.064
Base-Backbone interact. energy: -0.269
local terms energy: -362.787830
where:
bonds (distance) C4'-P energy: -65.112
bonds (distance) P-C4' energy: -78.658
flat angles C4'-P-C4' energy: -77.409
flat angles P-C4'-P energy: -53.285
tors. eta vs tors. theta energy: -88.324
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 310
Temperature: 1.000000
Total energy: -902.253639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -902.253639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -902.253639 (E_RNA)
where:
Base-Base interactions energy: -582.801
where: short stacking energy: -256.176
Base-Backbone interact. energy: -1.570
local terms energy: -317.882826
where:
bonds (distance) C4'-P energy: -64.340
bonds (distance) P-C4' energy: -62.004
flat angles C4'-P-C4' energy: -62.365
flat angles P-C4'-P energy: -49.568
tors. eta vs tors. theta energy: -79.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 310
Temperature: 1.050000
Total energy: -768.942245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -768.942245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -768.942245 (E_RNA)
where:
Base-Base interactions energy: -479.147
where: short stacking energy: -213.821
Base-Backbone interact. energy: 2.154
local terms energy: -291.949768
where:
bonds (distance) C4'-P energy: -71.983
bonds (distance) P-C4' energy: -58.969
flat angles C4'-P-C4' energy: -71.764
flat angles P-C4'-P energy: -38.059
tors. eta vs tors. theta energy: -51.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 310
Temperature: 1.100000
Total energy: -688.136827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -688.136827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -688.136827 (E_RNA)
where:
Base-Base interactions energy: -403.798
where: short stacking energy: -204.461
Base-Backbone interact. energy: -1.685
local terms energy: -282.653853
where:
bonds (distance) C4'-P energy: -64.143
bonds (distance) P-C4' energy: -73.549
flat angles C4'-P-C4' energy: -54.649
flat angles P-C4'-P energy: -42.405
tors. eta vs tors. theta energy: -47.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 310
Temperature: 1.150000
Total energy: -455.376651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -455.376651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -455.376651 (E_RNA)
where:
Base-Base interactions energy: -223.189
where: short stacking energy: -133.844
Base-Backbone interact. energy: -0.448
local terms energy: -231.739478
where:
bonds (distance) C4'-P energy: -53.506
bonds (distance) P-C4' energy: -62.148
flat angles C4'-P-C4' energy: -57.511
flat angles P-C4'-P energy: -41.542
tors. eta vs tors. theta energy: -17.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 310
Temperature: 1.200000
Total energy: -361.855624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.855624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.855624 (E_RNA)
where:
Base-Base interactions energy: -140.695
where: short stacking energy: -108.904
Base-Backbone interact. energy: -3.417
local terms energy: -217.743435
where:
bonds (distance) C4'-P energy: -56.258
bonds (distance) P-C4' energy: -72.155
flat angles C4'-P-C4' energy: -50.130
flat angles P-C4'-P energy: -36.298
tors. eta vs tors. theta energy: -2.902
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 310
Temperature: 1.250000
Total energy: -305.555776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.555776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.555776 (E_RNA)
where:
Base-Base interactions energy: -100.606
where: short stacking energy: -81.134
Base-Backbone interact. energy: -0.059
local terms energy: -204.891105
where:
bonds (distance) C4'-P energy: -57.869
bonds (distance) P-C4' energy: -65.664
flat angles C4'-P-C4' energy: -55.278
flat angles P-C4'-P energy: -30.552
tors. eta vs tors. theta energy: 4.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 310
Temperature: 1.300000
Total energy: -275.719533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.719533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.719533 (E_RNA)
where:
Base-Base interactions energy: -80.710
where: short stacking energy: -61.488
Base-Backbone interact. energy: 1.217
local terms energy: -196.225979
where:
bonds (distance) C4'-P energy: -70.291
bonds (distance) P-C4' energy: -55.825
flat angles C4'-P-C4' energy: -53.480
flat angles P-C4'-P energy: -41.948
tors. eta vs tors. theta energy: 25.318
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: 9
=====================================
Write number: 310
Temperature: 1.350000
Total energy: -266.021470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.021470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.021470 (E_RNA)
where:
Base-Base interactions energy: -61.846
where: short stacking energy: -57.974
Base-Backbone interact. energy: 2.872
local terms energy: -207.047316
where:
bonds (distance) C4'-P energy: -57.322
bonds (distance) P-C4' energy: -64.084
flat angles C4'-P-C4' energy: -54.496
flat angles P-C4'-P energy: -33.097
tors. eta vs tors. theta energy: 1.951
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 311
Temperature: 0.900000
Total energy: -1109.438259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1109.438259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1109.438259 (E_RNA)
where:
Base-Base interactions energy: -725.535
where: short stacking energy: -336.393
Base-Backbone interact. energy: 1.144
local terms energy: -385.047709
where:
bonds (distance) C4'-P energy: -69.584
bonds (distance) P-C4' energy: -68.930
flat angles C4'-P-C4' energy: -72.821
flat angles P-C4'-P energy: -61.291
tors. eta vs tors. theta energy: -112.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 311
Temperature: 0.950000
Total energy: -1002.786236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1002.786236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1002.786236 (E_RNA)
where:
Base-Base interactions energy: -648.072
where: short stacking energy: -318.135
Base-Backbone interact. energy: 0.573
local terms energy: -355.287133
where:
bonds (distance) C4'-P energy: -74.132
bonds (distance) P-C4' energy: -72.674
flat angles C4'-P-C4' energy: -73.226
flat angles P-C4'-P energy: -38.436
tors. eta vs tors. theta energy: -96.819
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: 5
=====================================
Write number: 311
Temperature: 1.000000
Total energy: -916.907837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -916.907837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -916.907837 (E_RNA)
where:
Base-Base interactions energy: -567.769
where: short stacking energy: -281.385
Base-Backbone interact. energy: -0.874
local terms energy: -348.265483
where:
bonds (distance) C4'-P energy: -72.321
bonds (distance) P-C4' energy: -67.503
flat angles C4'-P-C4' energy: -71.801
flat angles P-C4'-P energy: -45.903
tors. eta vs tors. theta energy: -90.737
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 311
Temperature: 1.050000
Total energy: -762.233572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -762.233572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -762.233572 (E_RNA)
where:
Base-Base interactions energy: -487.667
where: short stacking energy: -223.375
Base-Backbone interact. energy: -1.143
local terms energy: -273.423603
where:
bonds (distance) C4'-P energy: -53.996
bonds (distance) P-C4' energy: -56.335
flat angles C4'-P-C4' energy: -69.783
flat angles P-C4'-P energy: -43.529
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: 5, replica: 6
=====================================
Write number: 311
Temperature: 1.100000
Total energy: -683.318806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -683.318806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -683.318806 (E_RNA)
where:
Base-Base interactions energy: -400.631
where: short stacking energy: -208.409
Base-Backbone interact. energy: -0.293
local terms energy: -282.395014
where:
bonds (distance) C4'-P energy: -70.895
bonds (distance) P-C4' energy: -70.778
flat angles C4'-P-C4' energy: -58.871
flat angles P-C4'-P energy: -40.530
tors. eta vs tors. theta energy: -41.321
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: 6, replica: 2
=====================================
Write number: 311
Temperature: 1.150000
Total energy: -402.457178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -402.457178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -402.457178 (E_RNA)
where:
Base-Base interactions energy: -166.771
where: short stacking energy: -149.087
Base-Backbone interact. energy: -0.561
local terms energy: -235.124849
where:
bonds (distance) C4'-P energy: -60.236
bonds (distance) P-C4' energy: -68.997
flat angles C4'-P-C4' energy: -58.933
flat angles P-C4'-P energy: -34.173
tors. eta vs tors. theta energy: -12.786
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 311
Temperature: 1.200000
Total energy: -438.883641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -438.883641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -438.883641 (E_RNA)
where:
Base-Base interactions energy: -216.806
where: short stacking energy: -109.297
Base-Backbone interact. energy: 0.525
local terms energy: -222.602657
where:
bonds (distance) C4'-P energy: -56.231
bonds (distance) P-C4' energy: -61.778
flat angles C4'-P-C4' energy: -57.697
flat angles P-C4'-P energy: -24.688
tors. eta vs tors. theta energy: -22.209
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 311
Temperature: 1.250000
Total energy: -315.369918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.369918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.369918 (E_RNA)
where:
Base-Base interactions energy: -111.834
where: short stacking energy: -106.139
Base-Backbone interact. energy: 1.124
local terms energy: -204.660134
where:
bonds (distance) C4'-P energy: -49.149
bonds (distance) P-C4' energy: -57.976
flat angles C4'-P-C4' energy: -51.508
flat angles P-C4'-P energy: -46.508
tors. eta vs tors. theta energy: 0.480
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 311
Temperature: 1.300000
Total energy: -285.892580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.892580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.892580 (E_RNA)
where:
Base-Base interactions energy: -99.513
where: short stacking energy: -73.686
Base-Backbone interact. energy: -0.610
local terms energy: -185.769297
where:
bonds (distance) C4'-P energy: -53.099
bonds (distance) P-C4' energy: -59.600
flat angles C4'-P-C4' energy: -54.037
flat angles P-C4'-P energy: -26.448
tors. eta vs tors. theta energy: 7.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 311
Temperature: 1.350000
Total energy: -259.807952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.807952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.807952 (E_RNA)
where:
Base-Base interactions energy: -94.039
where: short stacking energy: -59.341
Base-Backbone interact. energy: 2.336
local terms energy: -168.104307
where:
bonds (distance) C4'-P energy: -45.334
bonds (distance) P-C4' energy: -62.627
flat angles C4'-P-C4' energy: -48.652
flat angles P-C4'-P energy: -30.464
tors. eta vs tors. theta energy: 18.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 312
Temperature: 0.900000
Total energy: -1094.357452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1094.357452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1094.357452 (E_RNA)
where:
Base-Base interactions energy: -713.261
where: short stacking energy: -333.570
Base-Backbone interact. energy: -2.294
local terms energy: -378.801945
where:
bonds (distance) C4'-P energy: -69.163
bonds (distance) P-C4' energy: -55.472
flat angles C4'-P-C4' energy: -79.814
flat angles P-C4'-P energy: -56.193
tors. eta vs tors. theta energy: -118.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 312
Temperature: 0.950000
Total energy: -1012.571936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1012.571936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1012.571936 (E_RNA)
where:
Base-Base interactions energy: -633.908
where: short stacking energy: -296.728
Base-Backbone interact. energy: -0.025
local terms energy: -378.639020
where:
bonds (distance) C4'-P energy: -74.411
bonds (distance) P-C4' energy: -76.079
flat angles C4'-P-C4' energy: -80.695
flat angles P-C4'-P energy: -47.665
tors. eta vs tors. theta energy: -99.789
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 312
Temperature: 1.000000
Total energy: -911.991016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -911.991016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -911.991016 (E_RNA)
where:
Base-Base interactions energy: -560.270
where: short stacking energy: -265.088
Base-Backbone interact. energy: -0.397
local terms energy: -351.324169
where:
bonds (distance) C4'-P energy: -68.948
bonds (distance) P-C4' energy: -59.712
flat angles C4'-P-C4' energy: -77.261
flat angles P-C4'-P energy: -56.172
tors. eta vs tors. theta energy: -89.231
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: 3
=====================================
Write number: 312
Temperature: 1.050000
Total energy: -734.466126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -734.466126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -734.466126 (E_RNA)
where:
Base-Base interactions energy: -445.217
where: short stacking energy: -196.356
Base-Backbone interact. energy: -1.860
local terms energy: -287.389194
where:
bonds (distance) C4'-P energy: -66.193
bonds (distance) P-C4' energy: -66.872
flat angles C4'-P-C4' energy: -60.522
flat angles P-C4'-P energy: -46.651
tors. eta vs tors. theta energy: -47.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 312
Temperature: 1.100000
Total energy: -657.368009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -657.368009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -657.368009 (E_RNA)
where:
Base-Base interactions energy: -402.914
where: short stacking energy: -189.163
Base-Backbone interact. energy: 0.234
local terms energy: -254.688306
where:
bonds (distance) C4'-P energy: -47.744
bonds (distance) P-C4' energy: -54.759
flat angles C4'-P-C4' energy: -67.814
flat angles P-C4'-P energy: -39.565
tors. eta vs tors. theta energy: -44.806
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: 2
=====================================
Write number: 312
Temperature: 1.150000
Total energy: -406.737969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.737969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -406.737969 (E_RNA)
where:
Base-Base interactions energy: -155.073
where: short stacking energy: -116.593
Base-Backbone interact. energy: -1.057
local terms energy: -250.608015
where:
bonds (distance) C4'-P energy: -65.679
bonds (distance) P-C4' energy: -71.258
flat angles C4'-P-C4' energy: -57.943
flat angles P-C4'-P energy: -42.265
tors. eta vs tors. theta energy: -13.463
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 312
Temperature: 1.200000
Total energy: -417.804312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.804312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.804312 (E_RNA)
where:
Base-Base interactions energy: -196.913
where: short stacking energy: -114.308
Base-Backbone interact. energy: -0.732
local terms energy: -220.159360
where:
bonds (distance) C4'-P energy: -59.945
bonds (distance) P-C4' energy: -53.022
flat angles C4'-P-C4' energy: -58.483
flat angles P-C4'-P energy: -37.982
tors. eta vs tors. theta energy: -10.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 312
Temperature: 1.250000
Total energy: -295.001691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.001691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.001691 (E_RNA)
where:
Base-Base interactions energy: -105.375
where: short stacking energy: -81.036
Base-Backbone interact. energy: 1.032
local terms energy: -190.658862
where:
bonds (distance) C4'-P energy: -55.945
bonds (distance) P-C4' energy: -63.367
flat angles C4'-P-C4' energy: -42.713
flat angles P-C4'-P energy: -44.472
tors. eta vs tors. theta energy: 15.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 312
Temperature: 1.300000
Total energy: -296.125922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.125922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.125922 (E_RNA)
where:
Base-Base interactions energy: -114.914
where: short stacking energy: -96.066
Base-Backbone interact. energy: 3.504
local terms energy: -184.715392
where:
bonds (distance) C4'-P energy: -47.286
bonds (distance) P-C4' energy: -67.628
flat angles C4'-P-C4' energy: -39.838
flat angles P-C4'-P energy: -37.974
tors. eta vs tors. theta energy: 8.010
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: 8
=====================================
Write number: 312
Temperature: 1.350000
Total energy: -265.046971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.046971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.046971 (E_RNA)
where:
Base-Base interactions energy: -89.241
where: short stacking energy: -53.366
Base-Backbone interact. energy: -1.300
local terms energy: -174.505573
where:
bonds (distance) C4'-P energy: -41.531
bonds (distance) P-C4' energy: -67.884
flat angles C4'-P-C4' energy: -54.475
flat angles P-C4'-P energy: -22.885
tors. eta vs tors. theta energy: 12.270
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: 4
=====================================
Write number: 313
Temperature: 0.900000
Total energy: -1096.587638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1096.587638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1096.587638 (E_RNA)
where:
Base-Base interactions energy: -723.181
where: short stacking energy: -337.232
Base-Backbone interact. energy: -1.166
local terms energy: -372.240520
where:
bonds (distance) C4'-P energy: -62.103
bonds (distance) P-C4' energy: -65.199
flat angles C4'-P-C4' energy: -76.685
flat angles P-C4'-P energy: -53.978
tors. eta vs tors. theta energy: -114.275
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 313
Temperature: 0.950000
Total energy: -1030.391434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1030.391434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1030.391434 (E_RNA)
where:
Base-Base interactions energy: -675.440
where: short stacking energy: -303.615
Base-Backbone interact. energy: 1.865
local terms energy: -356.816105
where:
bonds (distance) C4'-P energy: -70.029
bonds (distance) P-C4' energy: -70.386
flat angles C4'-P-C4' energy: -71.361
flat angles P-C4'-P energy: -49.974
tors. eta vs tors. theta energy: -95.066
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: 3, replica: 5
=====================================
Write number: 313
Temperature: 1.000000
Total energy: -927.252133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -927.252133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -927.252133 (E_RNA)
where:
Base-Base interactions energy: -584.151
where: short stacking energy: -298.890
Base-Backbone interact. energy: -0.831
local terms energy: -342.269370
where:
bonds (distance) C4'-P energy: -65.541
bonds (distance) P-C4' energy: -70.045
flat angles C4'-P-C4' energy: -70.658
flat angles P-C4'-P energy: -50.417
tors. eta vs tors. theta energy: -85.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 313
Temperature: 1.050000
Total energy: -708.509135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -708.509135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -708.509135 (E_RNA)
where:
Base-Base interactions energy: -414.691
where: short stacking energy: -200.449
Base-Backbone interact. energy: -2.203
local terms energy: -291.615517
where:
bonds (distance) C4'-P energy: -57.366
bonds (distance) P-C4' energy: -72.470
flat angles C4'-P-C4' energy: -55.273
flat angles P-C4'-P energy: -51.219
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: 5, replica: 6
=====================================
Write number: 313
Temperature: 1.100000
Total energy: -707.666338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -707.666338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -707.666338 (E_RNA)
where:
Base-Base interactions energy: -417.620
where: short stacking energy: -197.144
Base-Backbone interact. energy: -0.182
local terms energy: -289.864153
where:
bonds (distance) C4'-P energy: -53.913
bonds (distance) P-C4' energy: -77.435
flat angles C4'-P-C4' energy: -61.589
flat angles P-C4'-P energy: -37.012
tors. eta vs tors. theta energy: -59.915
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 313
Temperature: 1.150000
Total energy: -456.892842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -456.892842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -456.892842 (E_RNA)
where:
Base-Base interactions energy: -209.838
where: short stacking energy: -121.836
Base-Backbone interact. energy: -1.926
local terms energy: -245.128325
where:
bonds (distance) C4'-P energy: -65.061
bonds (distance) P-C4' energy: -69.275
flat angles C4'-P-C4' energy: -54.333
flat angles P-C4'-P energy: -36.715
tors. eta vs tors. theta energy: -19.745
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: 2
=====================================
Write number: 313
Temperature: 1.200000
Total energy: -353.868597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.868597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.868597 (E_RNA)
where:
Base-Base interactions energy: -117.902
where: short stacking energy: -97.097
Base-Backbone interact. energy: 0.986
local terms energy: -236.953200
where:
bonds (distance) C4'-P energy: -70.362
bonds (distance) P-C4' energy: -57.683
flat angles C4'-P-C4' energy: -61.679
flat angles P-C4'-P energy: -33.917
tors. eta vs tors. theta energy: -13.312
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: 9
=====================================
Write number: 313
Temperature: 1.250000
Total energy: -352.319920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.319920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.319920 (E_RNA)
where:
Base-Base interactions energy: -137.041
where: short stacking energy: -102.611
Base-Backbone interact. energy: 0.767
local terms energy: -216.046041
where:
bonds (distance) C4'-P energy: -66.504
bonds (distance) P-C4' energy: -67.968
flat angles C4'-P-C4' energy: -33.351
flat angles P-C4'-P energy: -38.553
tors. eta vs tors. theta energy: -9.670
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 313
Temperature: 1.300000
Total energy: -292.983540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.983540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.983540 (E_RNA)
where:
Base-Base interactions energy: -103.594
where: short stacking energy: -73.713
Base-Backbone interact. energy: -1.053
local terms energy: -188.336676
where:
bonds (distance) C4'-P energy: -64.285
bonds (distance) P-C4' energy: -60.396
flat angles C4'-P-C4' energy: -46.938
flat angles P-C4'-P energy: -28.954
tors. eta vs tors. theta energy: 12.236
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: 8
=====================================
Write number: 313
Temperature: 1.350000
Total energy: -266.869097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.869097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.869097 (E_RNA)
where:
Base-Base interactions energy: -68.958
where: short stacking energy: -60.345
Base-Backbone interact. energy: -1.393
local terms energy: -196.518066
where:
bonds (distance) C4'-P energy: -64.558
bonds (distance) P-C4' energy: -60.937
flat angles C4'-P-C4' energy: -53.654
flat angles P-C4'-P energy: -21.953
tors. eta vs tors. theta energy: 4.584
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: 4
=====================================
Write number: 314
Temperature: 0.900000
Total energy: -1103.590829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1103.590829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1103.590829 (E_RNA)
where:
Base-Base interactions energy: -721.738
where: short stacking energy: -345.433
Base-Backbone interact. energy: -0.663
local terms energy: -381.189348
where:
bonds (distance) C4'-P energy: -73.026
bonds (distance) P-C4' energy: -60.785
flat angles C4'-P-C4' energy: -71.318
flat angles P-C4'-P energy: -54.410
tors. eta vs tors. theta energy: -121.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 314
Temperature: 0.950000
Total energy: -1034.202225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1034.202225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1034.202225 (E_RNA)
where:
Base-Base interactions energy: -695.267
where: short stacking energy: -297.919
Base-Backbone interact. energy: 0.537
local terms energy: -339.471793
where:
bonds (distance) C4'-P energy: -67.355
bonds (distance) P-C4' energy: -58.611
flat angles C4'-P-C4' energy: -75.595
flat angles P-C4'-P energy: -43.884
tors. eta vs tors. theta energy: -94.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 314
Temperature: 1.000000
Total energy: -941.677576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -941.677576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -941.677576 (E_RNA)
where:
Base-Base interactions energy: -607.782
where: short stacking energy: -289.992
Base-Backbone interact. energy: -1.881
local terms energy: -332.014365
where:
bonds (distance) C4'-P energy: -53.496
bonds (distance) P-C4' energy: -60.060
flat angles C4'-P-C4' energy: -79.819
flat angles P-C4'-P energy: -41.837
tors. eta vs tors. theta energy: -96.803
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 314
Temperature: 1.050000
Total energy: -681.436706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -681.436706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -681.436706 (E_RNA)
where:
Base-Base interactions energy: -416.483
where: short stacking energy: -203.929
Base-Backbone interact. energy: -0.876
local terms energy: -264.077374
where:
bonds (distance) C4'-P energy: -63.130
bonds (distance) P-C4' energy: -66.933
flat angles C4'-P-C4' energy: -56.893
flat angles P-C4'-P energy: -30.759
tors. eta vs tors. theta energy: -46.362
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 314
Temperature: 1.100000
Total energy: -664.657235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -664.657235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -664.657235 (E_RNA)
where:
Base-Base interactions energy: -405.244
where: short stacking energy: -204.639
Base-Backbone interact. energy: -1.713
local terms energy: -257.700575
where:
bonds (distance) C4'-P energy: -54.530
bonds (distance) P-C4' energy: -47.813
flat angles C4'-P-C4' energy: -70.299
flat angles P-C4'-P energy: -40.708
tors. eta vs tors. theta energy: -44.351
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: 7
=====================================
Write number: 314
Temperature: 1.150000
Total energy: -473.677265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -473.677265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -473.677265 (E_RNA)
where:
Base-Base interactions energy: -244.077
where: short stacking energy: -130.217
Base-Backbone interact. energy: 2.109
local terms energy: -231.709599
where:
bonds (distance) C4'-P energy: -57.855
bonds (distance) P-C4' energy: -66.264
flat angles C4'-P-C4' energy: -46.680
flat angles P-C4'-P energy: -33.709
tors. eta vs tors. theta energy: -27.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 314
Temperature: 1.200000
Total energy: -343.418663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.418663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.418663 (E_RNA)
where:
Base-Base interactions energy: -147.391
where: short stacking energy: -101.378
Base-Backbone interact. energy: -1.872
local terms energy: -194.156059
where:
bonds (distance) C4'-P energy: -57.618
bonds (distance) P-C4' energy: -58.472
flat angles C4'-P-C4' energy: -50.662
flat angles P-C4'-P energy: -20.542
tors. eta vs tors. theta energy: -6.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 314
Temperature: 1.250000
Total energy: -306.267458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.267458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.267458 (E_RNA)
where:
Base-Base interactions energy: -123.907
where: short stacking energy: -84.511
Base-Backbone interact. energy: -1.270
local terms energy: -181.089678
where:
bonds (distance) C4'-P energy: -53.985
bonds (distance) P-C4' energy: -61.592
flat angles C4'-P-C4' energy: -46.755
flat angles P-C4'-P energy: -32.964
tors. eta vs tors. theta energy: 14.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 314
Temperature: 1.300000
Total energy: -304.043869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.043869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.043869 (E_RNA)
where:
Base-Base interactions energy: -126.762
where: short stacking energy: -92.428
Base-Backbone interact. energy: 7.580
local terms energy: -184.861833
where:
bonds (distance) C4'-P energy: -48.831
bonds (distance) P-C4' energy: -63.141
flat angles C4'-P-C4' energy: -43.235
flat angles P-C4'-P energy: -30.337
tors. eta vs tors. theta energy: 0.681
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: 10
=====================================
Write number: 314
Temperature: 1.350000
Total energy: -285.357959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.357959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.357959 (E_RNA)
where:
Base-Base interactions energy: -92.901
where: short stacking energy: -85.845
Base-Backbone interact. energy: -2.059
local terms energy: -190.397828
where:
bonds (distance) C4'-P energy: -60.641
bonds (distance) P-C4' energy: -65.644
flat angles C4'-P-C4' energy: -46.882
flat angles P-C4'-P energy: -19.522
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: 4
=====================================
Write number: 315
Temperature: 0.900000
Total energy: -1111.741727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1111.741727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1111.741727 (E_RNA)
where:
Base-Base interactions energy: -723.959
where: short stacking energy: -320.520
Base-Backbone interact. energy: -1.497
local terms energy: -386.285286
where:
bonds (distance) C4'-P energy: -71.398
bonds (distance) P-C4' energy: -73.542
flat angles C4'-P-C4' energy: -78.224
flat angles P-C4'-P energy: -51.096
tors. eta vs tors. theta energy: -112.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 315
Temperature: 0.950000
Total energy: -1025.168440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1025.168440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1025.168440 (E_RNA)
where:
Base-Base interactions energy: -680.405
where: short stacking energy: -289.724
Base-Backbone interact. energy: -0.077
local terms energy: -344.687095
where:
bonds (distance) C4'-P energy: -68.834
bonds (distance) P-C4' energy: -71.717
flat angles C4'-P-C4' energy: -70.634
flat angles P-C4'-P energy: -44.537
tors. eta vs tors. theta energy: -88.966
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 315
Temperature: 1.000000
Total energy: -964.674101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -964.674101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -964.674101 (E_RNA)
where:
Base-Base interactions energy: -601.719
where: short stacking energy: -294.877
Base-Backbone interact. energy: -0.777
local terms energy: -362.178587
where:
bonds (distance) C4'-P energy: -76.282
bonds (distance) P-C4' energy: -56.067
flat angles C4'-P-C4' energy: -72.948
flat angles P-C4'-P energy: -59.594
tors. eta vs tors. theta energy: -97.288
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 315
Temperature: 1.050000
Total energy: -740.714766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -740.714766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -740.714766 (E_RNA)
where:
Base-Base interactions energy: -434.732
where: short stacking energy: -204.246
Base-Backbone interact. energy: -2.221
local terms energy: -303.762517
where:
bonds (distance) C4'-P energy: -62.337
bonds (distance) P-C4' energy: -73.650
flat angles C4'-P-C4' energy: -66.349
flat angles P-C4'-P energy: -49.422
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: 6
=====================================
Write number: 315
Temperature: 1.100000
Total energy: -708.306026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -708.306026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -708.306026 (E_RNA)
where:
Base-Base interactions energy: -419.617
where: short stacking energy: -213.838
Base-Backbone interact. energy: -0.825
local terms energy: -287.864041
where:
bonds (distance) C4'-P energy: -48.928
bonds (distance) P-C4' energy: -65.899
flat angles C4'-P-C4' energy: -62.354
flat angles P-C4'-P energy: -50.283
tors. eta vs tors. theta energy: -60.400
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: 7
=====================================
Write number: 315
Temperature: 1.150000
Total energy: -486.040697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -486.040697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -486.040697 (E_RNA)
where:
Base-Base interactions energy: -246.876
where: short stacking energy: -121.917
Base-Backbone interact. energy: -0.862
local terms energy: -238.302097
where:
bonds (distance) C4'-P energy: -73.465
bonds (distance) P-C4' energy: -69.817
flat angles C4'-P-C4' energy: -52.415
flat angles P-C4'-P energy: -27.930
tors. eta vs tors. theta energy: -14.675
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 315
Temperature: 1.200000
Total energy: -350.095366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.095366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.095366 (E_RNA)
where:
Base-Base interactions energy: -136.817
where: short stacking energy: -111.905
Base-Backbone interact. energy: 2.108
local terms energy: -215.387094
where:
bonds (distance) C4'-P energy: -60.407
bonds (distance) P-C4' energy: -63.982
flat angles C4'-P-C4' energy: -47.585
flat angles P-C4'-P energy: -31.162
tors. eta vs tors. theta energy: -12.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 315
Temperature: 1.250000
Total energy: -315.202911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.202911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.202911 (E_RNA)
where:
Base-Base interactions energy: -104.144
where: short stacking energy: -93.971
Base-Backbone interact. energy: -1.243
local terms energy: -209.815844
where:
bonds (distance) C4'-P energy: -60.823
bonds (distance) P-C4' energy: -61.446
flat angles C4'-P-C4' energy: -43.162
flat angles P-C4'-P energy: -38.369
tors. eta vs tors. theta energy: -6.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 315
Temperature: 1.300000
Total energy: -307.484117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.484117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.484117 (E_RNA)
where:
Base-Base interactions energy: -102.336
where: short stacking energy: -79.839
Base-Backbone interact. energy: -2.767
local terms energy: -202.381293
where:
bonds (distance) C4'-P energy: -58.657
bonds (distance) P-C4' energy: -56.230
flat angles C4'-P-C4' energy: -58.843
flat angles P-C4'-P energy: -39.209
tors. eta vs tors. theta energy: 10.557
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 315
Temperature: 1.350000
Total energy: -289.219962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.219962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.219962 (E_RNA)
where:
Base-Base interactions energy: -112.902
where: short stacking energy: -95.404
Base-Backbone interact. energy: -1.948
local terms energy: -174.369712
where:
bonds (distance) C4'-P energy: -59.055
bonds (distance) P-C4' energy: -65.693
flat angles C4'-P-C4' energy: -41.478
flat angles P-C4'-P energy: -18.111
tors. eta vs tors. theta energy: 9.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 316
Temperature: 0.900000
Total energy: -1116.112636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1116.112636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1116.112636 (E_RNA)
where:
Base-Base interactions energy: -731.738
where: short stacking energy: -340.071
Base-Backbone interact. energy: -0.819
local terms energy: -383.555141
where:
bonds (distance) C4'-P energy: -62.389
bonds (distance) P-C4' energy: -69.669
flat angles C4'-P-C4' energy: -78.104
flat angles P-C4'-P energy: -60.474
tors. eta vs tors. theta energy: -112.919
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: 2, replica: 1
=====================================
Write number: 316
Temperature: 0.950000
Total energy: -1013.915391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1013.915391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1013.915391 (E_RNA)
where:
Base-Base interactions energy: -684.707
where: short stacking energy: -299.783
Base-Backbone interact. energy: -2.265
local terms energy: -326.942966
where:
bonds (distance) C4'-P energy: -61.476
bonds (distance) P-C4' energy: -59.720
flat angles C4'-P-C4' energy: -64.725
flat angles P-C4'-P energy: -41.683
tors. eta vs tors. theta energy: -99.338
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 316
Temperature: 1.000000
Total energy: -935.323118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -935.323118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -935.323118 (E_RNA)
where:
Base-Base interactions energy: -594.675
where: short stacking energy: -277.874
Base-Backbone interact. energy: -1.181
local terms energy: -339.467369
where:
bonds (distance) C4'-P energy: -64.775
bonds (distance) P-C4' energy: -64.835
flat angles C4'-P-C4' energy: -69.355
flat angles P-C4'-P energy: -53.563
tors. eta vs tors. theta energy: -86.939
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 316
Temperature: 1.050000
Total energy: -786.319082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -786.319082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -786.319082 (E_RNA)
where:
Base-Base interactions energy: -500.246
where: short stacking energy: -223.043
Base-Backbone interact. energy: 2.303
local terms energy: -288.376937
where:
bonds (distance) C4'-P energy: -57.244
bonds (distance) P-C4' energy: -61.553
flat angles C4'-P-C4' energy: -62.517
flat angles P-C4'-P energy: -36.876
tors. eta vs tors. theta energy: -70.186
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: 6
=====================================
Write number: 316
Temperature: 1.100000
Total energy: -741.993470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -741.993470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -741.993470 (E_RNA)
where:
Base-Base interactions energy: -451.961
where: short stacking energy: -213.078
Base-Backbone interact. energy: 0.101
local terms energy: -290.133404
where:
bonds (distance) C4'-P energy: -63.595
bonds (distance) P-C4' energy: -60.496
flat angles C4'-P-C4' energy: -70.262
flat angles P-C4'-P energy: -41.983
tors. eta vs tors. theta energy: -53.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 316
Temperature: 1.150000
Total energy: -458.916865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -458.916865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -458.916865 (E_RNA)
where:
Base-Base interactions energy: -225.255
where: short stacking energy: -135.101
Base-Backbone interact. energy: -1.644
local terms energy: -232.017757
where:
bonds (distance) C4'-P energy: -52.302
bonds (distance) P-C4' energy: -53.571
flat angles C4'-P-C4' energy: -66.155
flat angles P-C4'-P energy: -38.039
tors. eta vs tors. theta energy: -21.951
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: 316
Temperature: 1.200000
Total energy: -386.709551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -386.709551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -386.709551 (E_RNA)
where:
Base-Base interactions energy: -149.589
where: short stacking energy: -94.828
Base-Backbone interact. energy: -1.686
local terms energy: -235.434433
where:
bonds (distance) C4'-P energy: -67.729
bonds (distance) P-C4' energy: -73.770
flat angles C4'-P-C4' energy: -58.422
flat angles P-C4'-P energy: -25.067
tors. eta vs tors. theta energy: -10.446
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 316
Temperature: 1.250000
Total energy: -329.411003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.411003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.411003 (E_RNA)
where:
Base-Base interactions energy: -118.559
where: short stacking energy: -82.775
Base-Backbone interact. energy: 1.722
local terms energy: -212.574521
where:
bonds (distance) C4'-P energy: -51.963
bonds (distance) P-C4' energy: -62.918
flat angles C4'-P-C4' energy: -52.692
flat angles P-C4'-P energy: -33.406
tors. eta vs tors. theta energy: -11.596
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 316
Temperature: 1.300000
Total energy: -293.185990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.185990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.185990 (E_RNA)
where:
Base-Base interactions energy: -96.163
where: short stacking energy: -80.813
Base-Backbone interact. energy: -2.584
local terms energy: -194.439037
where:
bonds (distance) C4'-P energy: -47.481
bonds (distance) P-C4' energy: -69.486
flat angles C4'-P-C4' energy: -48.447
flat angles P-C4'-P energy: -34.974
tors. eta vs tors. theta energy: 5.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 316
Temperature: 1.350000
Total energy: -280.834100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.834100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.834100 (E_RNA)
where:
Base-Base interactions energy: -112.858
where: short stacking energy: -87.288
Base-Backbone interact. energy: 0.157
local terms energy: -168.133383
where:
bonds (distance) C4'-P energy: -65.541
bonds (distance) P-C4' energy: -61.958
flat angles C4'-P-C4' energy: -36.055
flat angles P-C4'-P energy: -12.488
tors. eta vs tors. theta energy: 7.909
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 317
Temperature: 0.900000
Total energy: -1104.582723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1104.582723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1104.582723 (E_RNA)
where:
Base-Base interactions energy: -720.216
where: short stacking energy: -341.007
Base-Backbone interact. energy: -0.550
local terms energy: -383.816292
where:
bonds (distance) C4'-P energy: -66.606
bonds (distance) P-C4' energy: -70.001
flat angles C4'-P-C4' energy: -80.285
flat angles P-C4'-P energy: -49.447
tors. eta vs tors. theta energy: -117.477
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 317
Temperature: 0.950000
Total energy: -1020.634167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1020.634167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1020.634167 (E_RNA)
where:
Base-Base interactions energy: -661.961
where: short stacking energy: -297.112
Base-Backbone interact. energy: -1.091
local terms energy: -357.582212
where:
bonds (distance) C4'-P energy: -67.648
bonds (distance) P-C4' energy: -76.014
flat angles C4'-P-C4' energy: -70.793
flat angles P-C4'-P energy: -47.933
tors. eta vs tors. theta energy: -95.195
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: 5
=====================================
Write number: 317
Temperature: 1.000000
Total energy: -951.941936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -951.941936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -951.941936 (E_RNA)
where:
Base-Base interactions energy: -602.873
where: short stacking energy: -281.427
Base-Backbone interact. energy: 0.538
local terms energy: -349.606864
where:
bonds (distance) C4'-P energy: -68.823
bonds (distance) P-C4' energy: -75.971
flat angles C4'-P-C4' energy: -71.200
flat angles P-C4'-P energy: -42.055
tors. eta vs tors. theta energy: -91.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 317
Temperature: 1.050000
Total energy: -809.881268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -809.881268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -809.881268 (E_RNA)
where:
Base-Base interactions energy: -505.776
where: short stacking energy: -265.219
Base-Backbone interact. energy: 0.492
local terms energy: -304.597019
where:
bonds (distance) C4'-P energy: -67.809
bonds (distance) P-C4' energy: -53.836
flat angles C4'-P-C4' energy: -67.678
flat angles P-C4'-P energy: -39.897
tors. eta vs tors. theta energy: -75.377
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 317
Temperature: 1.100000
Total energy: -780.438637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -780.438637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -780.438637 (E_RNA)
where:
Base-Base interactions energy: -471.818
where: short stacking energy: -223.506
Base-Backbone interact. energy: -0.054
local terms energy: -308.566270
where:
bonds (distance) C4'-P energy: -70.269
bonds (distance) P-C4' energy: -64.441
flat angles C4'-P-C4' energy: -67.482
flat angles P-C4'-P energy: -40.920
tors. eta vs tors. theta energy: -65.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 317
Temperature: 1.150000
Total energy: -447.235923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -447.235923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -447.235923 (E_RNA)
where:
Base-Base interactions energy: -206.452
where: short stacking energy: -134.739
Base-Backbone interact. energy: 0.750
local terms energy: -241.533822
where:
bonds (distance) C4'-P energy: -59.723
bonds (distance) P-C4' energy: -58.992
flat angles C4'-P-C4' energy: -59.134
flat angles P-C4'-P energy: -44.609
tors. eta vs tors. theta energy: -19.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 317
Temperature: 1.200000
Total energy: -364.197482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.197482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.197482 (E_RNA)
where:
Base-Base interactions energy: -149.653
where: short stacking energy: -95.868
Base-Backbone interact. energy: 0.839
local terms energy: -215.383810
where:
bonds (distance) C4'-P energy: -66.349
bonds (distance) P-C4' energy: -72.626
flat angles C4'-P-C4' energy: -41.856
flat angles P-C4'-P energy: -34.751
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: 8, replica: 2
=====================================
Write number: 317
Temperature: 1.250000
Total energy: -315.634898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.634898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.634898 (E_RNA)
where:
Base-Base interactions energy: -135.453
where: short stacking energy: -82.149
Base-Backbone interact. energy: -0.259
local terms energy: -179.923099
where:
bonds (distance) C4'-P energy: -55.079
bonds (distance) P-C4' energy: -58.475
flat angles C4'-P-C4' energy: -53.875
flat angles P-C4'-P energy: -20.970
tors. eta vs tors. theta energy: 8.476
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: 8
=====================================
Write number: 317
Temperature: 1.300000
Total energy: -299.321669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.321669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.321669 (E_RNA)
where:
Base-Base interactions energy: -107.273
where: short stacking energy: -72.315
Base-Backbone interact. energy: -0.014
local terms energy: -192.035245
where:
bonds (distance) C4'-P energy: -56.257
bonds (distance) P-C4' energy: -57.995
flat angles C4'-P-C4' energy: -47.231
flat angles P-C4'-P energy: -29.802
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: 10, replica: 10
=====================================
Write number: 317
Temperature: 1.350000
Total energy: -270.409469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.409469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.409469 (E_RNA)
where:
Base-Base interactions energy: -89.942
where: short stacking energy: -81.611
Base-Backbone interact. energy: -1.493
local terms energy: -178.974298
where:
bonds (distance) C4'-P energy: -61.223
bonds (distance) P-C4' energy: -61.456
flat angles C4'-P-C4' energy: -43.166
flat angles P-C4'-P energy: -22.278
tors. eta vs tors. theta energy: 9.148
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 318
Temperature: 0.900000
Total energy: -1102.993282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1102.993282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1102.993282 (E_RNA)
where:
Base-Base interactions energy: -726.455
where: short stacking energy: -330.761
Base-Backbone interact. energy: 0.853
local terms energy: -377.391243
where:
bonds (distance) C4'-P energy: -71.633
bonds (distance) P-C4' energy: -71.121
flat angles C4'-P-C4' energy: -78.380
flat angles P-C4'-P energy: -38.898
tors. eta vs tors. theta energy: -117.358
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 318
Temperature: 0.950000
Total energy: -1059.239927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1059.239927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1059.239927 (E_RNA)
where:
Base-Base interactions energy: -701.148
where: short stacking energy: -315.307
Base-Backbone interact. energy: 4.636
local terms energy: -362.727782
where:
bonds (distance) C4'-P energy: -80.106
bonds (distance) P-C4' energy: -69.453
flat angles C4'-P-C4' energy: -69.838
flat angles P-C4'-P energy: -49.571
tors. eta vs tors. theta energy: -93.759
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: 3, replica: 5
=====================================
Write number: 318
Temperature: 1.000000
Total energy: -946.280930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -946.280930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -946.280930 (E_RNA)
where:
Base-Base interactions energy: -612.291
where: short stacking energy: -280.664
Base-Backbone interact. energy: 0.297
local terms energy: -334.287210
where:
bonds (distance) C4'-P energy: -59.265
bonds (distance) P-C4' energy: -61.454
flat angles C4'-P-C4' energy: -76.007
flat angles P-C4'-P energy: -44.830
tors. eta vs tors. theta energy: -92.732
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 318
Temperature: 1.050000
Total energy: -853.487805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -853.487805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -853.487805 (E_RNA)
where:
Base-Base interactions energy: -541.498
where: short stacking energy: -254.730
Base-Backbone interact. energy: 0.834
local terms energy: -312.824724
where:
bonds (distance) C4'-P energy: -62.936
bonds (distance) P-C4' energy: -62.228
flat angles C4'-P-C4' energy: -72.813
flat angles P-C4'-P energy: -43.687
tors. eta vs tors. theta energy: -71.162
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: 3
=====================================
Write number: 318
Temperature: 1.100000
Total energy: -743.871097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -743.871097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -743.871097 (E_RNA)
where:
Base-Base interactions energy: -478.019
where: short stacking energy: -191.822
Base-Backbone interact. energy: -1.399
local terms energy: -264.453285
where:
bonds (distance) C4'-P energy: -61.226
bonds (distance) P-C4' energy: -61.463
flat angles C4'-P-C4' energy: -58.656
flat angles P-C4'-P energy: -36.598
tors. eta vs tors. theta energy: -46.511
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 318
Temperature: 1.150000
Total energy: -427.998841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -427.998841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -427.998841 (E_RNA)
where:
Base-Base interactions energy: -189.592
where: short stacking energy: -125.081
Base-Backbone interact. energy: -0.574
local terms energy: -237.833404
where:
bonds (distance) C4'-P energy: -60.758
bonds (distance) P-C4' energy: -61.529
flat angles C4'-P-C4' energy: -62.206
flat angles P-C4'-P energy: -40.574
tors. eta vs tors. theta energy: -12.767
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 318
Temperature: 1.200000
Total energy: -360.712944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.712944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.712944 (E_RNA)
where:
Base-Base interactions energy: -133.215
where: short stacking energy: -103.613
Base-Backbone interact. energy: 0.720
local terms energy: -228.218003
where:
bonds (distance) C4'-P energy: -56.168
bonds (distance) P-C4' energy: -59.570
flat angles C4'-P-C4' energy: -66.049
flat angles P-C4'-P energy: -43.071
tors. eta vs tors. theta energy: -3.360
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 318
Temperature: 1.250000
Total energy: -320.025475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.025475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.025475 (E_RNA)
where:
Base-Base interactions energy: -115.219
where: short stacking energy: -95.850
Base-Backbone interact. energy: -1.794
local terms energy: -203.012845
where:
bonds (distance) C4'-P energy: -51.549
bonds (distance) P-C4' energy: -61.630
flat angles C4'-P-C4' energy: -46.377
flat angles P-C4'-P energy: -30.178
tors. eta vs tors. theta energy: -13.280
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: 8
=====================================
Write number: 318
Temperature: 1.300000
Total energy: -285.221215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.221215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.221215 (E_RNA)
where:
Base-Base interactions energy: -109.398
where: short stacking energy: -80.734
Base-Backbone interact. energy: -2.130
local terms energy: -173.693253
where:
bonds (distance) C4'-P energy: -61.207
bonds (distance) P-C4' energy: -54.353
flat angles C4'-P-C4' energy: -52.604
flat angles P-C4'-P energy: -22.346
tors. eta vs tors. theta energy: 16.817
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 318
Temperature: 1.350000
Total energy: -271.227025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.227025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.227025 (E_RNA)
where:
Base-Base interactions energy: -114.699
where: short stacking energy: -94.626
Base-Backbone interact. energy: 1.191
local terms energy: -157.719060
where:
bonds (distance) C4'-P energy: -52.350
bonds (distance) P-C4' energy: -31.767
flat angles C4'-P-C4' energy: -56.786
flat angles P-C4'-P energy: -27.855
tors. eta vs tors. theta energy: 11.039
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: 4
=====================================
Write number: 319
Temperature: 0.900000
Total energy: -1093.645822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1093.645822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1093.645822 (E_RNA)
where:
Base-Base interactions energy: -713.930
where: short stacking energy: -331.895
Base-Backbone interact. energy: -0.532
local terms energy: -379.184124
where:
bonds (distance) C4'-P energy: -69.527
bonds (distance) P-C4' energy: -67.991
flat angles C4'-P-C4' energy: -75.578
flat angles P-C4'-P energy: -51.201
tors. eta vs tors. theta energy: -114.888
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: 1
=====================================
Write number: 319
Temperature: 0.950000
Total energy: -1032.191898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1032.191898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1032.191898 (E_RNA)
where:
Base-Base interactions energy: -696.196
where: short stacking energy: -305.231
Base-Backbone interact. energy: 0.198
local terms energy: -336.193144
where:
bonds (distance) C4'-P energy: -64.506
bonds (distance) P-C4' energy: -67.215
flat angles C4'-P-C4' energy: -75.208
flat angles P-C4'-P energy: -41.701
tors. eta vs tors. theta energy: -87.563
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: 5
=====================================
Write number: 319
Temperature: 1.000000
Total energy: -923.990089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -923.990089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -923.990089 (E_RNA)
where:
Base-Base interactions energy: -597.547
where: short stacking energy: -278.529
Base-Backbone interact. energy: -0.838
local terms energy: -325.605797
where:
bonds (distance) C4'-P energy: -66.335
bonds (distance) P-C4' energy: -61.418
flat angles C4'-P-C4' energy: -70.517
flat angles P-C4'-P energy: -47.621
tors. eta vs tors. theta energy: -79.714
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 319
Temperature: 1.050000
Total energy: -851.834411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -851.834411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -851.834411 (E_RNA)
where:
Base-Base interactions energy: -541.805
where: short stacking energy: -273.867
Base-Backbone interact. energy: -0.591
local terms energy: -309.439213
where:
bonds (distance) C4'-P energy: -53.676
bonds (distance) P-C4' energy: -60.271
flat angles C4'-P-C4' energy: -69.971
flat angles P-C4'-P energy: -52.560
tors. eta vs tors. theta energy: -72.962
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 319
Temperature: 1.100000
Total energy: -746.003038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -746.003038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -746.003038 (E_RNA)
where:
Base-Base interactions energy: -449.981
where: short stacking energy: -216.753
Base-Backbone interact. energy: -2.084
local terms energy: -293.937753
where:
bonds (distance) C4'-P energy: -54.812
bonds (distance) P-C4' energy: -72.063
flat angles C4'-P-C4' energy: -62.089
flat angles P-C4'-P energy: -45.165
tors. eta vs tors. theta energy: -59.808
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 319
Temperature: 1.150000
Total energy: -442.361060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -442.361060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -442.361060 (E_RNA)
where:
Base-Base interactions energy: -194.963
where: short stacking energy: -125.234
Base-Backbone interact. energy: -2.085
local terms energy: -245.313535
where:
bonds (distance) C4'-P energy: -65.431
bonds (distance) P-C4' energy: -67.063
flat angles C4'-P-C4' energy: -65.320
flat angles P-C4'-P energy: -37.816
tors. eta vs tors. theta energy: -9.684
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: 2
=====================================
Write number: 319
Temperature: 1.200000
Total energy: -355.432486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.432486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.432486 (E_RNA)
where:
Base-Base interactions energy: -127.391
where: short stacking energy: -100.523
Base-Backbone interact. energy: 0.542
local terms energy: -228.583878
where:
bonds (distance) C4'-P energy: -60.738
bonds (distance) P-C4' energy: -68.077
flat angles C4'-P-C4' energy: -57.814
flat angles P-C4'-P energy: -35.595
tors. eta vs tors. theta energy: -6.359
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 319
Temperature: 1.250000
Total energy: -324.316171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.316171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.316171 (E_RNA)
where:
Base-Base interactions energy: -119.284
where: short stacking energy: -99.739
Base-Backbone interact. energy: 0.322
local terms energy: -205.353966
where:
bonds (distance) C4'-P energy: -57.310
bonds (distance) P-C4' energy: -63.180
flat angles C4'-P-C4' energy: -55.087
flat angles P-C4'-P energy: -35.458
tors. eta vs tors. theta energy: 5.683
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: 8
=====================================
Write number: 319
Temperature: 1.300000
Total energy: -309.707501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.707501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.707501 (E_RNA)
where:
Base-Base interactions energy: -101.261
where: short stacking energy: -73.187
Base-Backbone interact. energy: -0.506
local terms energy: -207.940291
where:
bonds (distance) C4'-P energy: -44.553
bonds (distance) P-C4' energy: -66.018
flat angles C4'-P-C4' energy: -63.145
flat angles P-C4'-P energy: -29.304
tors. eta vs tors. theta energy: -4.920
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 319
Temperature: 1.350000
Total energy: -261.479137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.479137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.479137 (E_RNA)
where:
Base-Base interactions energy: -82.460
where: short stacking energy: -69.975
Base-Backbone interact. energy: -2.150
local terms energy: -176.868929
where:
bonds (distance) C4'-P energy: -51.681
bonds (distance) P-C4' energy: -67.080
flat angles C4'-P-C4' energy: -48.200
flat angles P-C4'-P energy: -18.437
tors. eta vs tors. theta energy: 8.529
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 320
Temperature: 0.900000
Total energy: -1076.993346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1076.993346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1076.993346 (E_RNA)
where:
Base-Base interactions energy: -691.419
where: short stacking energy: -305.723
Base-Backbone interact. energy: 1.067
local terms energy: -386.641388
where:
bonds (distance) C4'-P energy: -73.332
bonds (distance) P-C4' energy: -66.973
flat angles C4'-P-C4' energy: -76.609
flat angles P-C4'-P energy: -55.921
tors. eta vs tors. theta energy: -113.806
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 320
Temperature: 0.950000
Total energy: -1026.076013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1026.076013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1026.076013 (E_RNA)
where:
Base-Base interactions energy: -695.187
where: short stacking energy: -307.163
Base-Backbone interact. energy: 0.541
local terms energy: -331.430468
where:
bonds (distance) C4'-P energy: -65.464
bonds (distance) P-C4' energy: -69.554
flat angles C4'-P-C4' energy: -73.516
flat angles P-C4'-P energy: -33.329
tors. eta vs tors. theta energy: -89.568
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: 3, replica: 6
=====================================
Write number: 320
Temperature: 1.000000
Total energy: -867.410421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -867.410421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -867.410421 (E_RNA)
where:
Base-Base interactions energy: -558.205
where: short stacking energy: -255.778
Base-Backbone interact. energy: -1.797
local terms energy: -307.408109
where:
bonds (distance) C4'-P energy: -56.123
bonds (distance) P-C4' energy: -57.392
flat angles C4'-P-C4' energy: -74.277
flat angles P-C4'-P energy: -36.022
tors. eta vs tors. theta energy: -83.594
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 320
Temperature: 1.050000
Total energy: -858.034892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -858.034892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -858.034892 (E_RNA)
where:
Base-Base interactions energy: -535.197
where: short stacking energy: -261.483
Base-Backbone interact. energy: -2.165
local terms energy: -320.673015
where:
bonds (distance) C4'-P energy: -60.191
bonds (distance) P-C4' energy: -62.334
flat angles C4'-P-C4' energy: -75.217
flat angles P-C4'-P energy: -43.183
tors. eta vs tors. theta energy: -79.748
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: 3
=====================================
Write number: 320
Temperature: 1.100000
Total energy: -745.937910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -745.937910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -745.937910 (E_RNA)
where:
Base-Base interactions energy: -450.768
where: short stacking energy: -235.087
Base-Backbone interact. energy: -1.939
local terms energy: -293.230381
where:
bonds (distance) C4'-P energy: -60.630
bonds (distance) P-C4' energy: -55.752
flat angles C4'-P-C4' energy: -68.423
flat angles P-C4'-P energy: -45.184
tors. eta vs tors. theta energy: -63.241
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: 6, replica: 7
=====================================
Write number: 320
Temperature: 1.150000
Total energy: -449.716693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -449.716693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -449.716693 (E_RNA)
where:
Base-Base interactions energy: -201.197
where: short stacking energy: -100.253
Base-Backbone interact. energy: -0.071
local terms energy: -248.448169
where:
bonds (distance) C4'-P energy: -67.859
bonds (distance) P-C4' energy: -73.656
flat angles C4'-P-C4' energy: -53.665
flat angles P-C4'-P energy: -38.535
tors. eta vs tors. theta energy: -14.734
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: 9
=====================================
Write number: 320
Temperature: 1.200000
Total energy: -349.833473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.833473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.833473 (E_RNA)
where:
Base-Base interactions energy: -129.734
where: short stacking energy: -101.166
Base-Backbone interact. energy: 0.107
local terms energy: -220.206225
where:
bonds (distance) C4'-P energy: -64.137
bonds (distance) P-C4' energy: -66.279
flat angles C4'-P-C4' energy: -65.547
flat angles P-C4'-P energy: -24.597
tors. eta vs tors. theta energy: 0.354
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: 2
=====================================
Write number: 320
Temperature: 1.250000
Total energy: -320.110192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.110192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.110192 (E_RNA)
where:
Base-Base interactions energy: -122.383
where: short stacking energy: -106.699
Base-Backbone interact. energy: -1.425
local terms energy: -196.302306
where:
bonds (distance) C4'-P energy: -57.252
bonds (distance) P-C4' energy: -48.396
flat angles C4'-P-C4' energy: -54.648
flat angles P-C4'-P energy: -32.563
tors. eta vs tors. theta energy: -3.443
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 320
Temperature: 1.300000
Total energy: -289.070831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.070831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.070831 (E_RNA)
where:
Base-Base interactions energy: -106.564
where: short stacking energy: -78.960
Base-Backbone interact. energy: 0.464
local terms energy: -182.970059
where:
bonds (distance) C4'-P energy: -53.521
bonds (distance) P-C4' energy: -52.310
flat angles C4'-P-C4' energy: -55.592
flat angles P-C4'-P energy: -28.962
tors. eta vs tors. theta energy: 7.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 320
Temperature: 1.350000
Total energy: -281.742527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.742527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.742527 (E_RNA)
where:
Base-Base interactions energy: -92.201
where: short stacking energy: -85.128
Base-Backbone interact. energy: -0.650
local terms energy: -188.891812
where:
bonds (distance) C4'-P energy: -52.849
bonds (distance) P-C4' energy: -46.399
flat angles C4'-P-C4' energy: -55.803
flat angles P-C4'-P energy: -40.485
tors. eta vs tors. theta energy: 6.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 321
Temperature: 0.900000
Total energy: -1076.740764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1076.740764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1076.740764 (E_RNA)
where:
Base-Base interactions energy: -708.774
where: short stacking energy: -332.057
Base-Backbone interact. energy: -0.870
local terms energy: -367.096285
where:
bonds (distance) C4'-P energy: -69.320
bonds (distance) P-C4' energy: -70.858
flat angles C4'-P-C4' energy: -69.352
flat angles P-C4'-P energy: -48.453
tors. eta vs tors. theta energy: -109.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 321
Temperature: 0.950000
Total energy: -1035.339366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1035.339366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1035.339366 (E_RNA)
where:
Base-Base interactions energy: -669.832
where: short stacking energy: -283.143
Base-Backbone interact. energy: -1.795
local terms energy: -363.712541
where:
bonds (distance) C4'-P energy: -72.986
bonds (distance) P-C4' energy: -71.625
flat angles C4'-P-C4' energy: -73.916
flat angles P-C4'-P energy: -51.293
tors. eta vs tors. theta energy: -93.892
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: 6
=====================================
Write number: 321
Temperature: 1.000000
Total energy: -881.450731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -881.450731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -881.450731 (E_RNA)
where:
Base-Base interactions energy: -557.013
where: short stacking energy: -255.538
Base-Backbone interact. energy: -1.124
local terms energy: -323.313288
where:
bonds (distance) C4'-P energy: -66.571
bonds (distance) P-C4' energy: -74.225
flat angles C4'-P-C4' energy: -75.689
flat angles P-C4'-P energy: -34.119
tors. eta vs tors. theta energy: -72.709
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 321
Temperature: 1.050000
Total energy: -841.990715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -841.990715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -841.990715 (E_RNA)
where:
Base-Base interactions energy: -545.583
where: short stacking energy: -219.350
Base-Backbone interact. energy: -1.245
local terms energy: -295.162254
where:
bonds (distance) C4'-P energy: -61.121
bonds (distance) P-C4' energy: -61.753
flat angles C4'-P-C4' energy: -57.535
flat angles P-C4'-P energy: -37.095
tors. eta vs tors. theta energy: -77.658
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 321
Temperature: 1.100000
Total energy: -755.800057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -755.800057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -755.800057 (E_RNA)
where:
Base-Base interactions energy: -461.619
where: short stacking energy: -234.200
Base-Backbone interact. energy: 2.956
local terms energy: -297.136755
where:
bonds (distance) C4'-P energy: -61.624
bonds (distance) P-C4' energy: -58.384
flat angles C4'-P-C4' energy: -68.638
flat angles P-C4'-P energy: -37.844
tors. eta vs tors. theta energy: -70.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 321
Temperature: 1.150000
Total energy: -474.270877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -474.270877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -474.270877 (E_RNA)
where:
Base-Base interactions energy: -232.082
where: short stacking energy: -158.785
Base-Backbone interact. energy: 0.576
local terms energy: -242.765421
where:
bonds (distance) C4'-P energy: -50.001
bonds (distance) P-C4' energy: -62.200
flat angles C4'-P-C4' energy: -65.910
flat angles P-C4'-P energy: -32.680
tors. eta vs tors. theta energy: -31.975
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 321
Temperature: 1.200000
Total energy: -337.128480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.128480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.128480 (E_RNA)
where:
Base-Base interactions energy: -119.114
where: short stacking energy: -92.689
Base-Backbone interact. energy: 1.191
local terms energy: -219.205600
where:
bonds (distance) C4'-P energy: -65.899
bonds (distance) P-C4' energy: -69.148
flat angles C4'-P-C4' energy: -50.459
flat angles P-C4'-P energy: -39.174
tors. eta vs tors. theta energy: 5.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 321
Temperature: 1.250000
Total energy: -302.355612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.355612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.355612 (E_RNA)
where:
Base-Base interactions energy: -123.055
where: short stacking energy: -70.555
Base-Backbone interact. energy: 2.795
local terms energy: -182.095470
where:
bonds (distance) C4'-P energy: -57.633
bonds (distance) P-C4' energy: -62.836
flat angles C4'-P-C4' energy: -42.622
flat angles P-C4'-P energy: -32.126
tors. eta vs tors. theta energy: 13.121
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: 2
=====================================
Write number: 321
Temperature: 1.300000
Total energy: -287.857301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.857301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.857301 (E_RNA)
where:
Base-Base interactions energy: -100.709
where: short stacking energy: -75.729
Base-Backbone interact. energy: 3.063
local terms energy: -190.211267
where:
bonds (distance) C4'-P energy: -53.062
bonds (distance) P-C4' energy: -60.446
flat angles C4'-P-C4' energy: -57.545
flat angles P-C4'-P energy: -25.335
tors. eta vs tors. theta energy: 6.177
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: 8
=====================================
Write number: 321
Temperature: 1.350000
Total energy: -264.899764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.899764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.899764 (E_RNA)
where:
Base-Base interactions energy: -76.935
where: short stacking energy: -47.719
Base-Backbone interact. energy: -2.938
local terms energy: -185.026790
where:
bonds (distance) C4'-P energy: -56.825
bonds (distance) P-C4' energy: -66.283
flat angles C4'-P-C4' energy: -53.547
flat angles P-C4'-P energy: -30.737
tors. eta vs tors. theta energy: 22.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 322
Temperature: 0.900000
Total energy: -1033.905431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1033.905431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1033.905431 (E_RNA)
where:
Base-Base interactions energy: -683.317
where: short stacking energy: -316.730
Base-Backbone interact. energy: 0.430
local terms energy: -351.018674
where:
bonds (distance) C4'-P energy: -66.047
bonds (distance) P-C4' energy: -72.027
flat angles C4'-P-C4' energy: -75.972
flat angles P-C4'-P energy: -38.891
tors. eta vs tors. theta energy: -98.081
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 322
Temperature: 0.950000
Total energy: -1065.792630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1065.792630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1065.792630 (E_RNA)
where:
Base-Base interactions energy: -695.424
where: short stacking energy: -325.139
Base-Backbone interact. energy: -0.289
local terms energy: -370.079246
where:
bonds (distance) C4'-P energy: -74.155
bonds (distance) P-C4' energy: -74.169
flat angles C4'-P-C4' energy: -68.990
flat angles P-C4'-P energy: -43.363
tors. eta vs tors. theta energy: -109.402
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: 6
=====================================
Write number: 322
Temperature: 1.000000
Total energy: -852.277108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -852.277108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -852.277108 (E_RNA)
where:
Base-Base interactions energy: -529.201
where: short stacking energy: -246.831
Base-Backbone interact. energy: 1.029
local terms energy: -324.105262
where:
bonds (distance) C4'-P energy: -64.897
bonds (distance) P-C4' energy: -74.852
flat angles C4'-P-C4' energy: -64.090
flat angles P-C4'-P energy: -46.894
tors. eta vs tors. theta energy: -73.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 322
Temperature: 1.050000
Total energy: -872.601461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -872.601461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -872.601461 (E_RNA)
where:
Base-Base interactions energy: -537.726
where: short stacking energy: -251.539
Base-Backbone interact. energy: -1.062
local terms energy: -333.814132
where:
bonds (distance) C4'-P energy: -64.694
bonds (distance) P-C4' energy: -69.202
flat angles C4'-P-C4' energy: -68.138
flat angles P-C4'-P energy: -48.691
tors. eta vs tors. theta energy: -83.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 322
Temperature: 1.100000
Total energy: -719.166090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -719.166090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -719.166090 (E_RNA)
where:
Base-Base interactions energy: -430.292
where: short stacking energy: -184.902
Base-Backbone interact. energy: 1.865
local terms energy: -290.739171
where:
bonds (distance) C4'-P energy: -65.917
bonds (distance) P-C4' energy: -76.467
flat angles C4'-P-C4' energy: -62.144
flat angles P-C4'-P energy: -39.621
tors. eta vs tors. theta energy: -46.590
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: 6, replica: 7
=====================================
Write number: 322
Temperature: 1.150000
Total energy: -442.270454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -442.270454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -442.270454 (E_RNA)
where:
Base-Base interactions energy: -216.801
where: short stacking energy: -139.121
Base-Backbone interact. energy: -2.793
local terms energy: -222.676101
where:
bonds (distance) C4'-P energy: -65.625
bonds (distance) P-C4' energy: -60.298
flat angles C4'-P-C4' energy: -60.656
flat angles P-C4'-P energy: -24.382
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: 7, replica: 9
=====================================
Write number: 322
Temperature: 1.200000
Total energy: -374.663375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -374.663375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -374.663375 (E_RNA)
where:
Base-Base interactions energy: -168.249
where: short stacking energy: -104.117
Base-Backbone interact. energy: -1.466
local terms energy: -204.948609
where:
bonds (distance) C4'-P energy: -46.844
bonds (distance) P-C4' energy: -62.944
flat angles C4'-P-C4' energy: -51.150
flat angles P-C4'-P energy: -38.116
tors. eta vs tors. theta energy: -5.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 322
Temperature: 1.250000
Total energy: -328.996939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.996939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.996939 (E_RNA)
where:
Base-Base interactions energy: -120.167
where: short stacking energy: -87.479
Base-Backbone interact. energy: -0.606
local terms energy: -208.223195
where:
bonds (distance) C4'-P energy: -63.998
bonds (distance) P-C4' energy: -72.821
flat angles C4'-P-C4' energy: -45.373
flat angles P-C4'-P energy: -34.256
tors. eta vs tors. theta energy: 8.225
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: 8
=====================================
Write number: 322
Temperature: 1.300000
Total energy: -303.871999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.871999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.871999 (E_RNA)
where:
Base-Base interactions energy: -117.138
where: short stacking energy: -86.098
Base-Backbone interact. energy: 0.683
local terms energy: -187.417286
where:
bonds (distance) C4'-P energy: -56.159
bonds (distance) P-C4' energy: -60.078
flat angles C4'-P-C4' energy: -50.595
flat angles P-C4'-P energy: -30.625
tors. eta vs tors. theta energy: 10.038
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 322
Temperature: 1.350000
Total energy: -275.388337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.388337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.388337 (E_RNA)
where:
Base-Base interactions energy: -95.321
where: short stacking energy: -64.087
Base-Backbone interact. energy: -0.291
local terms energy: -179.776140
where:
bonds (distance) C4'-P energy: -56.440
bonds (distance) P-C4' energy: -66.393
flat angles C4'-P-C4' energy: -51.558
flat angles P-C4'-P energy: -26.477
tors. eta vs tors. theta energy: 21.092
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: 1
=====================================
Write number: 323
Temperature: 0.900000
Total energy: -1064.241149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1064.241149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1064.241149 (E_RNA)
where:
Base-Base interactions energy: -697.096
where: short stacking energy: -318.088
Base-Backbone interact. energy: -0.003
local terms energy: -367.141861
where:
bonds (distance) C4'-P energy: -68.509
bonds (distance) P-C4' energy: -69.006
flat angles C4'-P-C4' energy: -82.019
flat angles P-C4'-P energy: -45.510
tors. eta vs tors. theta energy: -102.098
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 323
Temperature: 0.950000
Total energy: -1058.241777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1058.241777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1058.241777 (E_RNA)
where:
Base-Base interactions energy: -676.712
where: short stacking energy: -317.879
Base-Backbone interact. energy: -1.193
local terms energy: -380.336658
where:
bonds (distance) C4'-P energy: -67.138
bonds (distance) P-C4' energy: -65.009
flat angles C4'-P-C4' energy: -87.359
flat angles P-C4'-P energy: -55.770
tors. eta vs tors. theta energy: -105.062
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: 3, replica: 6
=====================================
Write number: 323
Temperature: 1.000000
Total energy: -845.507364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -845.507364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -845.507364 (E_RNA)
where:
Base-Base interactions energy: -535.336
where: short stacking energy: -228.959
Base-Backbone interact. energy: 1.297
local terms energy: -311.468659
where:
bonds (distance) C4'-P energy: -58.809
bonds (distance) P-C4' energy: -68.177
flat angles C4'-P-C4' energy: -72.346
flat angles P-C4'-P energy: -43.970
tors. eta vs tors. theta energy: -68.166
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 323
Temperature: 1.050000
Total energy: -869.575770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -869.575770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -869.575770 (E_RNA)
where:
Base-Base interactions energy: -552.975
where: short stacking energy: -279.532
Base-Backbone interact. energy: 1.014
local terms energy: -317.614718
where:
bonds (distance) C4'-P energy: -64.640
bonds (distance) P-C4' energy: -66.335
flat angles C4'-P-C4' energy: -66.982
flat angles P-C4'-P energy: -37.193
tors. eta vs tors. theta energy: -82.465
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 323
Temperature: 1.100000
Total energy: -741.972727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -741.972727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -741.972727 (E_RNA)
where:
Base-Base interactions energy: -467.857
where: short stacking energy: -209.663
Base-Backbone interact. energy: -0.776
local terms energy: -273.340418
where:
bonds (distance) C4'-P energy: -63.759
bonds (distance) P-C4' energy: -51.747
flat angles C4'-P-C4' energy: -67.805
flat angles P-C4'-P energy: -44.050
tors. eta vs tors. theta energy: -45.980
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: 6, replica: 7
=====================================
Write number: 323
Temperature: 1.150000
Total energy: -457.097391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -457.097391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -457.097391 (E_RNA)
where:
Base-Base interactions energy: -208.877
where: short stacking energy: -112.794
Base-Backbone interact. energy: -2.296
local terms energy: -245.924485
where:
bonds (distance) C4'-P energy: -63.055
bonds (distance) P-C4' energy: -58.791
flat angles C4'-P-C4' energy: -59.513
flat angles P-C4'-P energy: -45.077
tors. eta vs tors. theta energy: -19.489
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: 323
Temperature: 1.200000
Total energy: -360.090009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.090009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.090009 (E_RNA)
where:
Base-Base interactions energy: -147.638
where: short stacking energy: -99.179
Base-Backbone interact. energy: -0.166
local terms energy: -212.285478
where:
bonds (distance) C4'-P energy: -63.160
bonds (distance) P-C4' energy: -63.564
flat angles C4'-P-C4' energy: -55.289
flat angles P-C4'-P energy: -27.562
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: 8, replica: 10
=====================================
Write number: 323
Temperature: 1.250000
Total energy: -335.626858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.626858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.626858 (E_RNA)
where:
Base-Base interactions energy: -134.517
where: short stacking energy: -97.700
Base-Backbone interact. energy: -1.434
local terms energy: -199.675897
where:
bonds (distance) C4'-P energy: -52.673
bonds (distance) P-C4' energy: -62.294
flat angles C4'-P-C4' energy: -54.769
flat angles P-C4'-P energy: -29.138
tors. eta vs tors. theta energy: -0.803
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 323
Temperature: 1.300000
Total energy: -285.863706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.863706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.863706 (E_RNA)
where:
Base-Base interactions energy: -121.710
where: short stacking energy: -78.866
Base-Backbone interact. energy: -1.361
local terms energy: -162.792219
where:
bonds (distance) C4'-P energy: -49.244
bonds (distance) P-C4' energy: -57.558
flat angles C4'-P-C4' energy: -38.014
flat angles P-C4'-P energy: -35.099
tors. eta vs tors. theta energy: 17.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 323
Temperature: 1.350000
Total energy: -274.965989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.965989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.965989 (E_RNA)
where:
Base-Base interactions energy: -85.788
where: short stacking energy: -73.120
Base-Backbone interact. energy: 1.286
local terms energy: -190.463717
where:
bonds (distance) C4'-P energy: -57.382
bonds (distance) P-C4' energy: -59.451
flat angles C4'-P-C4' energy: -48.229
flat angles P-C4'-P energy: -32.232
tors. eta vs tors. theta energy: 6.830
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: 1
=====================================
Write number: 324
Temperature: 0.900000
Total energy: -1087.879756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1087.879756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1087.879756 (E_RNA)
where:
Base-Base interactions energy: -732.220
where: short stacking energy: -334.207
Base-Backbone interact. energy: -1.989
local terms energy: -353.670254
where:
bonds (distance) C4'-P energy: -71.966
bonds (distance) P-C4' energy: -66.146
flat angles C4'-P-C4' energy: -75.200
flat angles P-C4'-P energy: -42.310
tors. eta vs tors. theta energy: -98.048
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 324
Temperature: 0.950000
Total energy: -1047.929528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1047.929528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1047.929528 (E_RNA)
where:
Base-Base interactions energy: -671.284
where: short stacking energy: -304.759
Base-Backbone interact. energy: -0.332
local terms energy: -376.314313
where:
bonds (distance) C4'-P energy: -67.655
bonds (distance) P-C4' energy: -61.382
flat angles C4'-P-C4' energy: -74.279
flat angles P-C4'-P energy: -57.741
tors. eta vs tors. theta energy: -115.257
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 324
Temperature: 1.000000
Total energy: -879.829352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -879.829352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -879.829352 (E_RNA)
where:
Base-Base interactions energy: -559.362
where: short stacking energy: -261.960
Base-Backbone interact. energy: -0.254
local terms energy: -320.213195
where:
bonds (distance) C4'-P energy: -57.685
bonds (distance) P-C4' energy: -69.250
flat angles C4'-P-C4' energy: -75.575
flat angles P-C4'-P energy: -50.626
tors. eta vs tors. theta energy: -67.077
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: 6
=====================================
Write number: 324
Temperature: 1.050000
Total energy: -816.066024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -816.066024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -816.066024 (E_RNA)
where:
Base-Base interactions energy: -495.241
where: short stacking energy: -237.517
Base-Backbone interact. energy: -1.087
local terms energy: -319.738699
where:
bonds (distance) C4'-P energy: -67.353
bonds (distance) P-C4' energy: -71.432
flat angles C4'-P-C4' energy: -71.538
flat angles P-C4'-P energy: -42.592
tors. eta vs tors. theta energy: -66.823
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: 5, replica: 3
=====================================
Write number: 324
Temperature: 1.100000
Total energy: -727.188144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -727.188144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -727.188144 (E_RNA)
where:
Base-Base interactions energy: -446.544
where: short stacking energy: -178.463
Base-Backbone interact. energy: 1.402
local terms energy: -282.045943
where:
bonds (distance) C4'-P energy: -62.134
bonds (distance) P-C4' energy: -74.368
flat angles C4'-P-C4' energy: -59.823
flat angles P-C4'-P energy: -40.405
tors. eta vs tors. theta energy: -45.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 324
Temperature: 1.150000
Total energy: -468.315752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -468.315752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -468.315752 (E_RNA)
where:
Base-Base interactions energy: -241.438
where: short stacking energy: -128.901
Base-Backbone interact. energy: -2.701
local terms energy: -224.176249
where:
bonds (distance) C4'-P energy: -60.381
bonds (distance) P-C4' energy: -61.412
flat angles C4'-P-C4' energy: -62.368
flat angles P-C4'-P energy: -38.001
tors. eta vs tors. theta energy: -2.013
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: 7, replica: 9
=====================================
Write number: 324
Temperature: 1.200000
Total energy: -373.308700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.308700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.308700 (E_RNA)
where:
Base-Base interactions energy: -144.052
where: short stacking energy: -91.719
Base-Backbone interact. energy: -1.423
local terms energy: -227.833105
where:
bonds (distance) C4'-P energy: -66.028
bonds (distance) P-C4' energy: -70.929
flat angles C4'-P-C4' energy: -57.602
flat angles P-C4'-P energy: -47.808
tors. eta vs tors. theta energy: 14.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 324
Temperature: 1.250000
Total energy: -331.854602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.854602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.854602 (E_RNA)
where:
Base-Base interactions energy: -129.515
where: short stacking energy: -78.152
Base-Backbone interact. energy: -3.002
local terms energy: -199.336773
where:
bonds (distance) C4'-P energy: -63.698
bonds (distance) P-C4' energy: -52.072
flat angles C4'-P-C4' energy: -49.361
flat angles P-C4'-P energy: -36.873
tors. eta vs tors. theta energy: 2.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 324
Temperature: 1.300000
Total energy: -275.565340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.565340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.565340 (E_RNA)
where:
Base-Base interactions energy: -76.384
where: short stacking energy: -62.392
Base-Backbone interact. energy: -0.839
local terms energy: -198.342194
where:
bonds (distance) C4'-P energy: -64.367
bonds (distance) P-C4' energy: -50.888
flat angles C4'-P-C4' energy: -64.681
flat angles P-C4'-P energy: -35.904
tors. eta vs tors. theta energy: 17.498
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 324
Temperature: 1.350000
Total energy: -264.061595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.061595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.061595 (E_RNA)
where:
Base-Base interactions energy: -72.928
where: short stacking energy: -52.130
Base-Backbone interact. energy: 0.086
local terms energy: -191.219733
where:
bonds (distance) C4'-P energy: -53.981
bonds (distance) P-C4' energy: -65.508
flat angles C4'-P-C4' energy: -51.128
flat angles P-C4'-P energy: -31.282
tors. eta vs tors. theta energy: 10.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 325
Temperature: 0.900000
Total energy: -1093.344382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1093.344382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1093.344382 (E_RNA)
where:
Base-Base interactions energy: -737.990
where: short stacking energy: -318.056
Base-Backbone interact. energy: -0.396
local terms energy: -354.958244
where:
bonds (distance) C4'-P energy: -62.844
bonds (distance) P-C4' energy: -77.931
flat angles C4'-P-C4' energy: -66.919
flat angles P-C4'-P energy: -44.268
tors. eta vs tors. theta energy: -102.996
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 325
Temperature: 0.950000
Total energy: -1062.974354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1062.974354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1062.974354 (E_RNA)
where:
Base-Base interactions energy: -709.627
where: short stacking energy: -314.277
Base-Backbone interact. energy: -1.671
local terms energy: -351.675953
where:
bonds (distance) C4'-P energy: -61.692
bonds (distance) P-C4' energy: -63.760
flat angles C4'-P-C4' energy: -66.207
flat angles P-C4'-P energy: -46.961
tors. eta vs tors. theta energy: -113.056
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 325
Temperature: 1.000000
Total energy: -939.090767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -939.090767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -939.090767 (E_RNA)
where:
Base-Base interactions energy: -594.283
where: short stacking energy: -289.738
Base-Backbone interact. energy: -1.048
local terms energy: -343.759877
where:
bonds (distance) C4'-P energy: -58.326
bonds (distance) P-C4' energy: -68.229
flat angles C4'-P-C4' energy: -80.292
flat angles P-C4'-P energy: -46.705
tors. eta vs tors. theta energy: -90.208
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: 6
=====================================
Write number: 325
Temperature: 1.050000
Total energy: -838.694421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -838.694421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -838.694421 (E_RNA)
where:
Base-Base interactions energy: -530.688
where: short stacking energy: -242.697
Base-Backbone interact. energy: -1.912
local terms energy: -306.095179
where:
bonds (distance) C4'-P energy: -53.106
bonds (distance) P-C4' energy: -65.213
flat angles C4'-P-C4' energy: -68.850
flat angles P-C4'-P energy: -52.232
tors. eta vs tors. theta energy: -66.694
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 325
Temperature: 1.100000
Total energy: -693.639630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -693.639630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -693.639630 (E_RNA)
where:
Base-Base interactions energy: -413.710
where: short stacking energy: -190.557
Base-Backbone interact. energy: -2.010
local terms energy: -277.918979
where:
bonds (distance) C4'-P energy: -54.436
bonds (distance) P-C4' energy: -65.897
flat angles C4'-P-C4' energy: -62.040
flat angles P-C4'-P energy: -43.309
tors. eta vs tors. theta energy: -52.236
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 325
Temperature: 1.150000
Total energy: -457.839839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -457.839839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -457.839839 (E_RNA)
where:
Base-Base interactions energy: -219.458
where: short stacking energy: -121.128
Base-Backbone interact. energy: 0.007
local terms energy: -238.389035
where:
bonds (distance) C4'-P energy: -60.677
bonds (distance) P-C4' energy: -60.123
flat angles C4'-P-C4' energy: -67.517
flat angles P-C4'-P energy: -29.597
tors. eta vs tors. theta energy: -20.475
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: 9
=====================================
Write number: 325
Temperature: 1.200000
Total energy: -361.664450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.664450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.664450 (E_RNA)
where:
Base-Base interactions energy: -144.447
where: short stacking energy: -92.638
Base-Backbone interact. energy: -1.942
local terms energy: -215.275678
where:
bonds (distance) C4'-P energy: -55.133
bonds (distance) P-C4' energy: -67.688
flat angles C4'-P-C4' energy: -65.637
flat angles P-C4'-P energy: -26.123
tors. eta vs tors. theta energy: -0.694
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: 8, replica: 8
=====================================
Write number: 325
Temperature: 1.250000
Total energy: -298.621331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.621331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.621331 (E_RNA)
where:
Base-Base interactions energy: -120.430
where: short stacking energy: -80.894
Base-Backbone interact. energy: 0.075
local terms energy: -178.266188
where:
bonds (distance) C4'-P energy: -64.339
bonds (distance) P-C4' energy: -53.107
flat angles C4'-P-C4' energy: -45.178
flat angles P-C4'-P energy: -29.203
tors. eta vs tors. theta energy: 13.562
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 325
Temperature: 1.300000
Total energy: -375.905283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -375.905283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -375.905283 (E_RNA)
where:
Base-Base interactions energy: -169.599
where: short stacking energy: -106.286
Base-Backbone interact. energy: 1.680
local terms energy: -207.985989
where:
bonds (distance) C4'-P energy: -65.092
bonds (distance) P-C4' energy: -52.186
flat angles C4'-P-C4' energy: -56.785
flat angles P-C4'-P energy: -25.333
tors. eta vs tors. theta energy: -8.590
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: 2
=====================================
Write number: 325
Temperature: 1.350000
Total energy: -277.170663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.170663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.170663 (E_RNA)
where:
Base-Base interactions energy: -105.591
where: short stacking energy: -92.186
Base-Backbone interact. energy: 2.329
local terms energy: -173.909029
where:
bonds (distance) C4'-P energy: -53.534
bonds (distance) P-C4' energy: -65.580
flat angles C4'-P-C4' energy: -39.813
flat angles P-C4'-P energy: -26.464
tors. eta vs tors. theta energy: 11.481
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: 1
=====================================
Write number: 326
Temperature: 0.900000
Total energy: -1066.033531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1066.033531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1066.033531 (E_RNA)
where:
Base-Base interactions energy: -719.402
where: short stacking energy: -309.796
Base-Backbone interact. energy: -0.219
local terms energy: -346.412880
where:
bonds (distance) C4'-P energy: -59.866
bonds (distance) P-C4' energy: -68.801
flat angles C4'-P-C4' energy: -70.998
flat angles P-C4'-P energy: -41.793
tors. eta vs tors. theta energy: -104.955
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 326
Temperature: 0.950000
Total energy: -1058.565260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1058.565260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1058.565260 (E_RNA)
where:
Base-Base interactions energy: -670.851
where: short stacking energy: -297.244
Base-Backbone interact. energy: 2.524
local terms energy: -390.238567
where:
bonds (distance) C4'-P energy: -79.665
bonds (distance) P-C4' energy: -71.078
flat angles C4'-P-C4' energy: -81.169
flat angles P-C4'-P energy: -56.335
tors. eta vs tors. theta energy: -101.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 326
Temperature: 1.000000
Total energy: -894.135020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -894.135020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -894.135020 (E_RNA)
where:
Base-Base interactions energy: -564.120
where: short stacking energy: -277.993
Base-Backbone interact. energy: -0.477
local terms energy: -329.538296
where:
bonds (distance) C4'-P energy: -61.799
bonds (distance) P-C4' energy: -73.503
flat angles C4'-P-C4' energy: -74.050
flat angles P-C4'-P energy: -43.836
tors. eta vs tors. theta energy: -76.351
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 326
Temperature: 1.050000
Total energy: -804.690756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -804.690756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -804.690756 (E_RNA)
where:
Base-Base interactions energy: -508.922
where: short stacking energy: -247.337
Base-Backbone interact. energy: 0.556
local terms energy: -296.324042
where:
bonds (distance) C4'-P energy: -48.596
bonds (distance) P-C4' energy: -65.737
flat angles C4'-P-C4' energy: -79.928
flat angles P-C4'-P energy: -34.153
tors. eta vs tors. theta energy: -67.910
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 326
Temperature: 1.100000
Total energy: -718.275883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -718.275883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -718.275883 (E_RNA)
where:
Base-Base interactions energy: -433.358
where: short stacking energy: -215.005
Base-Backbone interact. energy: 1.040
local terms energy: -285.957814
where:
bonds (distance) C4'-P energy: -61.423
bonds (distance) P-C4' energy: -72.689
flat angles C4'-P-C4' energy: -61.218
flat angles P-C4'-P energy: -43.237
tors. eta vs tors. theta energy: -47.391
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 326
Temperature: 1.150000
Total energy: -460.259572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -460.259572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -460.259572 (E_RNA)
where:
Base-Base interactions energy: -225.120
where: short stacking energy: -148.008
Base-Backbone interact. energy: -2.327
local terms energy: -232.813491
where:
bonds (distance) C4'-P energy: -57.122
bonds (distance) P-C4' energy: -53.985
flat angles C4'-P-C4' energy: -64.652
flat angles P-C4'-P energy: -40.934
tors. eta vs tors. theta energy: -16.120
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 326
Temperature: 1.200000
Total energy: -356.430259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.430259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.430259 (E_RNA)
where:
Base-Base interactions energy: -142.574
where: short stacking energy: -91.245
Base-Backbone interact. energy: -0.837
local terms energy: -213.018771
where:
bonds (distance) C4'-P energy: -60.384
bonds (distance) P-C4' energy: -66.703
flat angles C4'-P-C4' energy: -64.210
flat angles P-C4'-P energy: -30.326
tors. eta vs tors. theta energy: 8.604
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 326
Temperature: 1.250000
Total energy: -317.179173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.179173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.179173 (E_RNA)
where:
Base-Base interactions energy: -92.511
where: short stacking energy: -91.541
Base-Backbone interact. energy: -1.359
local terms energy: -223.309582
where:
bonds (distance) C4'-P energy: -59.283
bonds (distance) P-C4' energy: -63.835
flat angles C4'-P-C4' energy: -63.406
flat angles P-C4'-P energy: -41.443
tors. eta vs tors. theta energy: 4.657
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 326
Temperature: 1.300000
Total energy: -284.026933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.026933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.026933 (E_RNA)
where:
Base-Base interactions energy: -92.332
where: short stacking energy: -83.561
Base-Backbone interact. energy: -1.026
local terms energy: -190.669151
where:
bonds (distance) C4'-P energy: -65.975
bonds (distance) P-C4' energy: -59.897
flat angles C4'-P-C4' energy: -49.490
flat angles P-C4'-P energy: -28.652
tors. eta vs tors. theta energy: 13.344
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: 10
=====================================
Write number: 326
Temperature: 1.350000
Total energy: -314.696300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.696300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.696300 (E_RNA)
where:
Base-Base interactions energy: -127.699
where: short stacking energy: -89.605
Base-Backbone interact. energy: 1.495
local terms energy: -188.491530
where:
bonds (distance) C4'-P energy: -63.045
bonds (distance) P-C4' energy: -56.347
flat angles C4'-P-C4' energy: -40.267
flat angles P-C4'-P energy: -43.264
tors. eta vs tors. theta energy: 14.432
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 327
Temperature: 0.900000
Total energy: -1044.310813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1044.310813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1044.310813 (E_RNA)
where:
Base-Base interactions energy: -691.860
where: short stacking energy: -308.792
Base-Backbone interact. energy: 0.182
local terms energy: -352.633130
where:
bonds (distance) C4'-P energy: -70.368
bonds (distance) P-C4' energy: -75.087
flat angles C4'-P-C4' energy: -66.653
flat angles P-C4'-P energy: -40.817
tors. eta vs tors. theta energy: -99.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 327
Temperature: 0.950000
Total energy: -1016.717641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1016.717641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1016.717641 (E_RNA)
where:
Base-Base interactions energy: -656.884
where: short stacking energy: -308.520
Base-Backbone interact. energy: -1.895
local terms energy: -357.939205
where:
bonds (distance) C4'-P energy: -70.601
bonds (distance) P-C4' energy: -64.800
flat angles C4'-P-C4' energy: -70.154
flat angles P-C4'-P energy: -52.044
tors. eta vs tors. theta energy: -100.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 327
Temperature: 1.000000
Total energy: -871.703408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -871.703408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -871.703408 (E_RNA)
where:
Base-Base interactions energy: -550.063
where: short stacking energy: -268.437
Base-Backbone interact. energy: -1.257
local terms energy: -320.383796
where:
bonds (distance) C4'-P energy: -51.734
bonds (distance) P-C4' energy: -69.119
flat angles C4'-P-C4' energy: -68.578
flat angles P-C4'-P energy: -41.672
tors. eta vs tors. theta energy: -89.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 327
Temperature: 1.050000
Total energy: -827.147822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -827.147822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -827.147822 (E_RNA)
where:
Base-Base interactions energy: -522.242
where: short stacking energy: -244.080
Base-Backbone interact. energy: 1.050
local terms energy: -305.955362
where:
bonds (distance) C4'-P energy: -66.273
bonds (distance) P-C4' energy: -57.621
flat angles C4'-P-C4' energy: -69.122
flat angles P-C4'-P energy: -43.310
tors. eta vs tors. theta energy: -69.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 327
Temperature: 1.100000
Total energy: -732.090577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -732.090577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -732.090577 (E_RNA)
where:
Base-Base interactions energy: -443.892
where: short stacking energy: -207.800
Base-Backbone interact. energy: -0.706
local terms energy: -287.493157
where:
bonds (distance) C4'-P energy: -64.258
bonds (distance) P-C4' energy: -73.564
flat angles C4'-P-C4' energy: -55.795
flat angles P-C4'-P energy: -33.791
tors. eta vs tors. theta energy: -60.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 327
Temperature: 1.150000
Total energy: -472.901736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -472.901736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.901736 (E_RNA)
where:
Base-Base interactions energy: -229.097
where: short stacking energy: -132.998
Base-Backbone interact. energy: 3.808
local terms energy: -247.611762
where:
bonds (distance) C4'-P energy: -62.261
bonds (distance) P-C4' energy: -65.718
flat angles C4'-P-C4' energy: -63.248
flat angles P-C4'-P energy: -45.562
tors. eta vs tors. theta energy: -10.822
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 327
Temperature: 1.200000
Total energy: -340.735496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.735496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.735496 (E_RNA)
where:
Base-Base interactions energy: -141.883
where: short stacking energy: -120.786
Base-Backbone interact. energy: 0.699
local terms energy: -199.551349
where:
bonds (distance) C4'-P energy: -59.651
bonds (distance) P-C4' energy: -52.024
flat angles C4'-P-C4' energy: -55.978
flat angles P-C4'-P energy: -25.284
tors. eta vs tors. theta energy: -6.615
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 327
Temperature: 1.250000
Total energy: -330.292205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.292205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.292205 (E_RNA)
where:
Base-Base interactions energy: -136.097
where: short stacking energy: -90.284
Base-Backbone interact. energy: -1.838
local terms energy: -192.357932
where:
bonds (distance) C4'-P energy: -62.806
bonds (distance) P-C4' energy: -68.171
flat angles C4'-P-C4' energy: -44.364
flat angles P-C4'-P energy: -24.870
tors. eta vs tors. theta energy: 7.853
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 327
Temperature: 1.300000
Total energy: -308.144978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.144978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.144978 (E_RNA)
where:
Base-Base interactions energy: -102.234
where: short stacking energy: -71.322
Base-Backbone interact. energy: 0.437
local terms energy: -206.347911
where:
bonds (distance) C4'-P energy: -47.580
bonds (distance) P-C4' energy: -71.816
flat angles C4'-P-C4' energy: -54.874
flat angles P-C4'-P energy: -29.267
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: 10, replica: 10
=====================================
Write number: 327
Temperature: 1.350000
Total energy: -262.453821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.453821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.453821 (E_RNA)
where:
Base-Base interactions energy: -77.392
where: short stacking energy: -60.875
Base-Backbone interact. energy: 3.491
local terms energy: -188.553023
where:
bonds (distance) C4'-P energy: -64.645
bonds (distance) P-C4' energy: -67.202
flat angles C4'-P-C4' energy: -46.309
flat angles P-C4'-P energy: -28.960
tors. eta vs tors. theta energy: 18.563
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 328
Temperature: 0.900000
Total energy: -1067.890484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1067.890484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1067.890484 (E_RNA)
where:
Base-Base interactions energy: -703.325
where: short stacking energy: -332.317
Base-Backbone interact. energy: -1.630
local terms energy: -362.935478
where:
bonds (distance) C4'-P energy: -67.265
bonds (distance) P-C4' energy: -65.107
flat angles C4'-P-C4' energy: -78.304
flat angles P-C4'-P energy: -46.430
tors. eta vs tors. theta energy: -105.829
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 328
Temperature: 0.950000
Total energy: -1033.951637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1033.951637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1033.951637 (E_RNA)
where:
Base-Base interactions energy: -680.950
where: short stacking energy: -296.939
Base-Backbone interact. energy: -1.632
local terms energy: -351.370029
where:
bonds (distance) C4'-P energy: -63.301
bonds (distance) P-C4' energy: -77.030
flat angles C4'-P-C4' energy: -70.833
flat angles P-C4'-P energy: -36.633
tors. eta vs tors. theta energy: -103.573
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: 5
=====================================
Write number: 328
Temperature: 1.000000
Total energy: -882.579224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -882.579224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -882.579224 (E_RNA)
where:
Base-Base interactions energy: -564.416
where: short stacking energy: -265.819
Base-Backbone interact. energy: 0.006
local terms energy: -318.169417
where:
bonds (distance) C4'-P energy: -50.834
bonds (distance) P-C4' energy: -68.504
flat angles C4'-P-C4' energy: -73.351
flat angles P-C4'-P energy: -45.779
tors. eta vs tors. theta energy: -79.701
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: 6
=====================================
Write number: 328
Temperature: 1.050000
Total energy: -822.687374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -822.687374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -822.687374 (E_RNA)
where:
Base-Base interactions energy: -515.862
where: short stacking energy: -241.959
Base-Backbone interact. energy: -2.991
local terms energy: -303.834661
where:
bonds (distance) C4'-P energy: -72.242
bonds (distance) P-C4' energy: -71.357
flat angles C4'-P-C4' energy: -65.657
flat angles P-C4'-P energy: -33.064
tors. eta vs tors. theta energy: -61.515
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 328
Temperature: 1.100000
Total energy: -713.384996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -713.384996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -713.384996 (E_RNA)
where:
Base-Base interactions energy: -427.277
where: short stacking energy: -201.904
Base-Backbone interact. energy: 0.101
local terms energy: -286.208323
where:
bonds (distance) C4'-P energy: -55.239
bonds (distance) P-C4' energy: -81.455
flat angles C4'-P-C4' energy: -64.788
flat angles P-C4'-P energy: -32.748
tors. eta vs tors. theta energy: -51.978
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: 7
=====================================
Write number: 328
Temperature: 1.150000
Total energy: -443.919513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -443.919513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -443.919513 (E_RNA)
where:
Base-Base interactions energy: -205.815
where: short stacking energy: -120.440
Base-Backbone interact. energy: -1.611
local terms energy: -236.494062
where:
bonds (distance) C4'-P energy: -53.078
bonds (distance) P-C4' energy: -67.177
flat angles C4'-P-C4' energy: -64.510
flat angles P-C4'-P energy: -35.736
tors. eta vs tors. theta energy: -15.993
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: 9
=====================================
Write number: 328
Temperature: 1.200000
Total energy: -335.950510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.950510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.950510 (E_RNA)
where:
Base-Base interactions energy: -112.308
where: short stacking energy: -87.650
Base-Backbone interact. energy: 0.213
local terms energy: -223.854894
where:
bonds (distance) C4'-P energy: -68.158
bonds (distance) P-C4' energy: -62.588
flat angles C4'-P-C4' energy: -52.145
flat angles P-C4'-P energy: -38.919
tors. eta vs tors. theta energy: -2.045
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 328
Temperature: 1.250000
Total energy: -309.930927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.930927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.930927 (E_RNA)
where:
Base-Base interactions energy: -121.608
where: short stacking energy: -84.434
Base-Backbone interact. energy: -3.127
local terms energy: -185.196135
where:
bonds (distance) C4'-P energy: -51.793
bonds (distance) P-C4' energy: -67.273
flat angles C4'-P-C4' energy: -46.514
flat angles P-C4'-P energy: -27.207
tors. eta vs tors. theta energy: 7.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 328
Temperature: 1.300000
Total energy: -288.095912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.095912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.095912 (E_RNA)
where:
Base-Base interactions energy: -99.747
where: short stacking energy: -88.268
Base-Backbone interact. energy: 0.917
local terms energy: -189.265747
where:
bonds (distance) C4'-P energy: -57.360
bonds (distance) P-C4' energy: -68.459
flat angles C4'-P-C4' energy: -47.567
flat angles P-C4'-P energy: -28.427
tors. eta vs tors. theta energy: 12.546
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 328
Temperature: 1.350000
Total energy: -279.912810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.912810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.912810 (E_RNA)
where:
Base-Base interactions energy: -112.921
where: short stacking energy: -78.936
Base-Backbone interact. energy: 2.981
local terms energy: -169.972551
where:
bonds (distance) C4'-P energy: -61.922
bonds (distance) P-C4' energy: -69.811
flat angles C4'-P-C4' energy: -30.811
flat angles P-C4'-P energy: -21.298
tors. eta vs tors. theta energy: 13.870
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: 1
=====================================
Write number: 329
Temperature: 0.900000
Total energy: -1091.006290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1091.006290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1091.006290 (E_RNA)
where:
Base-Base interactions energy: -722.254
where: short stacking energy: -326.464
Base-Backbone interact. energy: -1.938
local terms energy: -366.814804
where:
bonds (distance) C4'-P energy: -67.900
bonds (distance) P-C4' energy: -74.224
flat angles C4'-P-C4' energy: -81.019
flat angles P-C4'-P energy: -45.606
tors. eta vs tors. theta energy: -98.065
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: 4
=====================================
Write number: 329
Temperature: 0.950000
Total energy: -1039.711151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1039.711151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1039.711151 (E_RNA)
where:
Base-Base interactions energy: -675.585
where: short stacking energy: -309.460
Base-Backbone interact. energy: -1.711
local terms energy: -362.414922
where:
bonds (distance) C4'-P energy: -61.499
bonds (distance) P-C4' energy: -73.970
flat angles C4'-P-C4' energy: -73.176
flat angles P-C4'-P energy: -44.889
tors. eta vs tors. theta energy: -108.882
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 329
Temperature: 1.000000
Total energy: -873.794701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -873.794701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -873.794701 (E_RNA)
where:
Base-Base interactions energy: -539.979
where: short stacking energy: -262.584
Base-Backbone interact. energy: -2.790
local terms energy: -331.024939
where:
bonds (distance) C4'-P energy: -66.267
bonds (distance) P-C4' energy: -62.218
flat angles C4'-P-C4' energy: -76.050
flat angles P-C4'-P energy: -42.272
tors. eta vs tors. theta energy: -84.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 329
Temperature: 1.050000
Total energy: -800.125349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -800.125349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -800.125349 (E_RNA)
where:
Base-Base interactions energy: -483.471
where: short stacking energy: -214.167
Base-Backbone interact. energy: -3.752
local terms energy: -312.902706
where:
bonds (distance) C4'-P energy: -74.013
bonds (distance) P-C4' energy: -65.638
flat angles C4'-P-C4' energy: -72.705
flat angles P-C4'-P energy: -50.478
tors. eta vs tors. theta energy: -50.069
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: 5, replica: 3
=====================================
Write number: 329
Temperature: 1.100000
Total energy: -707.260201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -707.260201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -707.260201 (E_RNA)
where:
Base-Base interactions energy: -410.865
where: short stacking energy: -198.118
Base-Backbone interact. energy: 1.215
local terms energy: -297.610457
where:
bonds (distance) C4'-P energy: -57.778
bonds (distance) P-C4' energy: -70.852
flat angles C4'-P-C4' energy: -66.257
flat angles P-C4'-P energy: -42.563
tors. eta vs tors. theta energy: -60.161
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: 6, replica: 7
=====================================
Write number: 329
Temperature: 1.150000
Total energy: -459.500133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -459.500133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -459.500133 (E_RNA)
where:
Base-Base interactions energy: -212.764
where: short stacking energy: -134.379
Base-Backbone interact. energy: -1.646
local terms energy: -245.090044
where:
bonds (distance) C4'-P energy: -62.631
bonds (distance) P-C4' energy: -62.057
flat angles C4'-P-C4' energy: -58.862
flat angles P-C4'-P energy: -51.245
tors. eta vs tors. theta energy: -10.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 329
Temperature: 1.200000
Total energy: -370.190316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.190316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.190316 (E_RNA)
where:
Base-Base interactions energy: -132.168
where: short stacking energy: -107.412
Base-Backbone interact. energy: -2.816
local terms energy: -235.205883
where:
bonds (distance) C4'-P energy: -72.032
bonds (distance) P-C4' energy: -61.666
flat angles C4'-P-C4' energy: -58.681
flat angles P-C4'-P energy: -40.080
tors. eta vs tors. theta energy: -2.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 329
Temperature: 1.250000
Total energy: -324.316868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.316868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.316868 (E_RNA)
where:
Base-Base interactions energy: -123.425
where: short stacking energy: -88.585
Base-Backbone interact. energy: -1.872
local terms energy: -199.019866
where:
bonds (distance) C4'-P energy: -66.469
bonds (distance) P-C4' energy: -70.891
flat angles C4'-P-C4' energy: -47.546
flat angles P-C4'-P energy: -23.170
tors. eta vs tors. theta energy: 9.056
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 329
Temperature: 1.300000
Total energy: -296.549037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.549037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.549037 (E_RNA)
where:
Base-Base interactions energy: -113.082
where: short stacking energy: -85.210
Base-Backbone interact. energy: 0.517
local terms energy: -183.983984
where:
bonds (distance) C4'-P energy: -50.533
bonds (distance) P-C4' energy: -71.805
flat angles C4'-P-C4' energy: -49.783
flat angles P-C4'-P energy: -24.854
tors. eta vs tors. theta energy: 12.991
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 329
Temperature: 1.350000
Total energy: -276.886867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.886867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.886867 (E_RNA)
where:
Base-Base interactions energy: -103.872
where: short stacking energy: -84.966
Base-Backbone interact. energy: -1.685
local terms energy: -171.329291
where:
bonds (distance) C4'-P energy: -52.482
bonds (distance) P-C4' energy: -61.332
flat angles C4'-P-C4' energy: -56.474
flat angles P-C4'-P energy: -23.520
tors. eta vs tors. theta energy: 22.479
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 330
Temperature: 0.900000
Total energy: -1092.870885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1092.870885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1092.870885 (E_RNA)
where:
Base-Base interactions energy: -724.497
where: short stacking energy: -319.910
Base-Backbone interact. energy: 3.778
local terms energy: -372.151769
where:
bonds (distance) C4'-P energy: -68.473
bonds (distance) P-C4' energy: -76.452
flat angles C4'-P-C4' energy: -79.525
flat angles P-C4'-P energy: -49.126
tors. eta vs tors. theta energy: -98.576
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: 4
=====================================
Write number: 330
Temperature: 0.950000
Total energy: -1038.238432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1038.238432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1038.238432 (E_RNA)
where:
Base-Base interactions energy: -695.481
where: short stacking energy: -306.684
Base-Backbone interact. energy: -0.697
local terms energy: -342.060658
where:
bonds (distance) C4'-P energy: -57.864
bonds (distance) P-C4' energy: -65.087
flat angles C4'-P-C4' energy: -70.956
flat angles P-C4'-P energy: -42.907
tors. eta vs tors. theta energy: -105.246
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: 5
=====================================
Write number: 330
Temperature: 1.000000
Total energy: -879.855812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -879.855812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -879.855812 (E_RNA)
where:
Base-Base interactions energy: -569.568
where: short stacking energy: -277.181
Base-Backbone interact. energy: 0.256
local terms energy: -310.544244
where:
bonds (distance) C4'-P energy: -63.684
bonds (distance) P-C4' energy: -70.423
flat angles C4'-P-C4' energy: -57.496
flat angles P-C4'-P energy: -37.827
tors. eta vs tors. theta energy: -81.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 330
Temperature: 1.050000
Total energy: -805.848085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -805.848085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -805.848085 (E_RNA)
where:
Base-Base interactions energy: -509.224
where: short stacking energy: -241.439
Base-Backbone interact. energy: -1.425
local terms energy: -295.199891
where:
bonds (distance) C4'-P energy: -56.241
bonds (distance) P-C4' energy: -74.769
flat angles C4'-P-C4' energy: -55.381
flat angles P-C4'-P energy: -44.713
tors. eta vs tors. theta energy: -64.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 330
Temperature: 1.100000
Total energy: -733.123588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -733.123588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -733.123588 (E_RNA)
where:
Base-Base interactions energy: -435.438
where: short stacking energy: -241.133
Base-Backbone interact. energy: -2.136
local terms energy: -295.549453
where:
bonds (distance) C4'-P energy: -65.725
bonds (distance) P-C4' energy: -67.196
flat angles C4'-P-C4' energy: -51.154
flat angles P-C4'-P energy: -40.555
tors. eta vs tors. theta energy: -70.919
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 330
Temperature: 1.150000
Total energy: -464.056167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -464.056167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -464.056167 (E_RNA)
where:
Base-Base interactions energy: -231.950
where: short stacking energy: -139.333
Base-Backbone interact. energy: -1.986
local terms energy: -230.120208
where:
bonds (distance) C4'-P energy: -45.944
bonds (distance) P-C4' energy: -69.816
flat angles C4'-P-C4' energy: -56.930
flat angles P-C4'-P energy: -37.433
tors. eta vs tors. theta energy: -19.997
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: 9
=====================================
Write number: 330
Temperature: 1.200000
Total energy: -318.888801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.888801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.888801 (E_RNA)
where:
Base-Base interactions energy: -103.677
where: short stacking energy: -79.537
Base-Backbone interact. energy: 5.484
local terms energy: -220.695985
where:
bonds (distance) C4'-P energy: -62.609
bonds (distance) P-C4' energy: -71.663
flat angles C4'-P-C4' energy: -52.702
flat angles P-C4'-P energy: -36.868
tors. eta vs tors. theta energy: 3.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 330
Temperature: 1.250000
Total energy: -330.680747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.680747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.680747 (E_RNA)
where:
Base-Base interactions energy: -112.028
where: short stacking energy: -87.147
Base-Backbone interact. energy: -0.909
local terms energy: -217.743518
where:
bonds (distance) C4'-P energy: -55.556
bonds (distance) P-C4' energy: -51.413
flat angles C4'-P-C4' energy: -68.789
flat angles P-C4'-P energy: -36.057
tors. eta vs tors. theta energy: -5.928
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 330
Temperature: 1.300000
Total energy: -292.583624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.583624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.583624 (E_RNA)
where:
Base-Base interactions energy: -92.387
where: short stacking energy: -74.979
Base-Backbone interact. energy: -0.534
local terms energy: -199.662605
where:
bonds (distance) C4'-P energy: -59.843
bonds (distance) P-C4' energy: -71.893
flat angles C4'-P-C4' energy: -52.882
flat angles P-C4'-P energy: -34.286
tors. eta vs tors. theta energy: 19.240
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 330
Temperature: 1.350000
Total energy: -270.211394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.211394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.211394 (E_RNA)
where:
Base-Base interactions energy: -71.087
where: short stacking energy: -69.761
Base-Backbone interact. energy: -1.815
local terms energy: -197.308534
where:
bonds (distance) C4'-P energy: -59.859
bonds (distance) P-C4' energy: -69.516
flat angles C4'-P-C4' energy: -39.658
flat angles P-C4'-P energy: -33.683
tors. eta vs tors. theta energy: 5.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 331
Temperature: 0.900000
Total energy: -1090.648759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1090.648759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1090.648759 (E_RNA)
where:
Base-Base interactions energy: -737.892
where: short stacking energy: -322.730
Base-Backbone interact. energy: -0.667
local terms energy: -352.089372
where:
bonds (distance) C4'-P energy: -69.871
bonds (distance) P-C4' energy: -67.184
flat angles C4'-P-C4' energy: -72.336
flat angles P-C4'-P energy: -38.250
tors. eta vs tors. theta energy: -104.448
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: 4
=====================================
Write number: 331
Temperature: 0.950000
Total energy: -1053.374012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1053.374012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1053.374012 (E_RNA)
where:
Base-Base interactions energy: -683.416
where: short stacking energy: -309.479
Base-Backbone interact. energy: -0.684
local terms energy: -369.274177
where:
bonds (distance) C4'-P energy: -62.403
bonds (distance) P-C4' energy: -74.294
flat angles C4'-P-C4' energy: -77.492
flat angles P-C4'-P energy: -54.004
tors. eta vs tors. theta energy: -101.081
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 331
Temperature: 1.000000
Total energy: -863.453729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -863.453729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -863.453729 (E_RNA)
where:
Base-Base interactions energy: -532.671
where: short stacking energy: -259.341
Base-Backbone interact. energy: -1.698
local terms energy: -329.084178
where:
bonds (distance) C4'-P energy: -58.016
bonds (distance) P-C4' energy: -64.208
flat angles C4'-P-C4' energy: -75.086
flat angles P-C4'-P energy: -45.019
tors. eta vs tors. theta energy: -86.756
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 331
Temperature: 1.050000
Total energy: -776.675274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -776.675274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -776.675274 (E_RNA)
where:
Base-Base interactions energy: -499.994
where: short stacking energy: -222.501
Base-Backbone interact. energy: -0.150
local terms energy: -276.531318
where:
bonds (distance) C4'-P energy: -68.709
bonds (distance) P-C4' energy: -58.886
flat angles C4'-P-C4' energy: -64.428
flat angles P-C4'-P energy: -29.618
tors. eta vs tors. theta energy: -54.890
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 331
Temperature: 1.100000
Total energy: -710.569043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -710.569043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -710.569043 (E_RNA)
where:
Base-Base interactions energy: -411.416
where: short stacking energy: -186.513
Base-Backbone interact. energy: -1.977
local terms energy: -297.175843
where:
bonds (distance) C4'-P energy: -65.018
bonds (distance) P-C4' energy: -66.549
flat angles C4'-P-C4' energy: -70.360
flat angles P-C4'-P energy: -51.212
tors. eta vs tors. theta energy: -44.037
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: 7
=====================================
Write number: 331
Temperature: 1.150000
Total energy: -486.356058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -486.356058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -486.356058 (E_RNA)
where:
Base-Base interactions energy: -215.965
where: short stacking energy: -130.011
Base-Backbone interact. energy: -0.541
local terms energy: -269.850186
where:
bonds (distance) C4'-P energy: -62.883
bonds (distance) P-C4' energy: -67.622
flat angles C4'-P-C4' energy: -64.901
flat angles P-C4'-P energy: -47.286
tors. eta vs tors. theta energy: -27.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 331
Temperature: 1.200000
Total energy: -341.492034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.492034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.492034 (E_RNA)
where:
Base-Base interactions energy: -116.141
where: short stacking energy: -84.995
Base-Backbone interact. energy: -0.932
local terms energy: -224.418525
where:
bonds (distance) C4'-P energy: -57.284
bonds (distance) P-C4' energy: -67.764
flat angles C4'-P-C4' energy: -55.903
flat angles P-C4'-P energy: -49.501
tors. eta vs tors. theta energy: 6.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 331
Temperature: 1.250000
Total energy: -297.439708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.439708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.439708 (E_RNA)
where:
Base-Base interactions energy: -92.003
where: short stacking energy: -73.832
Base-Backbone interact. energy: 0.772
local terms energy: -206.208338
where:
bonds (distance) C4'-P energy: -57.072
bonds (distance) P-C4' energy: -62.827
flat angles C4'-P-C4' energy: -59.814
flat angles P-C4'-P energy: -32.986
tors. eta vs tors. theta energy: 6.490
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: 331
Temperature: 1.300000
Total energy: -286.168482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.168482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.168482 (E_RNA)
where:
Base-Base interactions energy: -85.969
where: short stacking energy: -81.914
Base-Backbone interact. energy: -0.463
local terms energy: -199.736648
where:
bonds (distance) C4'-P energy: -48.205
bonds (distance) P-C4' energy: -69.615
flat angles C4'-P-C4' energy: -46.568
flat angles P-C4'-P energy: -35.224
tors. eta vs tors. theta energy: -0.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 331
Temperature: 1.350000
Total energy: -269.433221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.433221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.433221 (E_RNA)
where:
Base-Base interactions energy: -85.740
where: short stacking energy: -73.737
Base-Backbone interact. energy: 0.737
local terms energy: -184.430174
where:
bonds (distance) C4'-P energy: -47.131
bonds (distance) P-C4' energy: -54.470
flat angles C4'-P-C4' energy: -55.604
flat angles P-C4'-P energy: -29.052
tors. eta vs tors. theta energy: 1.828
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 332
Temperature: 0.900000
Total energy: -1078.204165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1078.204165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1078.204165 (E_RNA)
where:
Base-Base interactions energy: -719.637
where: short stacking energy: -336.672
Base-Backbone interact. energy: -2.150
local terms energy: -356.417696
where:
bonds (distance) C4'-P energy: -68.850
bonds (distance) P-C4' energy: -67.643
flat angles C4'-P-C4' energy: -79.582
flat angles P-C4'-P energy: -47.706
tors. eta vs tors. theta energy: -92.637
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 332
Temperature: 0.950000
Total energy: -1039.685176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1039.685176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1039.685176 (E_RNA)
where:
Base-Base interactions energy: -695.587
where: short stacking energy: -314.577
Base-Backbone interact. energy: -1.218
local terms energy: -342.880088
where:
bonds (distance) C4'-P energy: -68.377
bonds (distance) P-C4' energy: -56.348
flat angles C4'-P-C4' energy: -80.873
flat angles P-C4'-P energy: -43.540
tors. eta vs tors. theta energy: -93.741
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 332
Temperature: 1.000000
Total energy: -886.484438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -886.484438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -886.484438 (E_RNA)
where:
Base-Base interactions energy: -547.472
where: short stacking energy: -263.116
Base-Backbone interact. energy: -1.745
local terms energy: -337.267916
where:
bonds (distance) C4'-P energy: -63.124
bonds (distance) P-C4' energy: -66.850
flat angles C4'-P-C4' energy: -72.753
flat angles P-C4'-P energy: -51.319
tors. eta vs tors. theta energy: -83.222
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 332
Temperature: 1.050000
Total energy: -769.042282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -769.042282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -769.042282 (E_RNA)
where:
Base-Base interactions energy: -506.637
where: short stacking energy: -235.125
Base-Backbone interact. energy: -1.973
local terms energy: -260.432630
where:
bonds (distance) C4'-P energy: -56.618
bonds (distance) P-C4' energy: -55.891
flat angles C4'-P-C4' energy: -61.252
flat angles P-C4'-P energy: -29.406
tors. eta vs tors. theta energy: -57.266
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 332
Temperature: 1.100000
Total energy: -769.043334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -769.043334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -769.043334 (E_RNA)
where:
Base-Base interactions energy: -475.705
where: short stacking energy: -191.655
Base-Backbone interact. energy: -1.028
local terms energy: -292.310327
where:
bonds (distance) C4'-P energy: -63.862
bonds (distance) P-C4' energy: -68.352
flat angles C4'-P-C4' energy: -66.908
flat angles P-C4'-P energy: -39.960
tors. eta vs tors. theta energy: -53.228
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: 7
=====================================
Write number: 332
Temperature: 1.150000
Total energy: -486.434945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -486.434945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -486.434945 (E_RNA)
where:
Base-Base interactions energy: -239.336
where: short stacking energy: -154.668
Base-Backbone interact. energy: -4.414
local terms energy: -242.685620
where:
bonds (distance) C4'-P energy: -60.838
bonds (distance) P-C4' energy: -60.530
flat angles C4'-P-C4' energy: -57.635
flat angles P-C4'-P energy: -37.073
tors. eta vs tors. theta energy: -26.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 332
Temperature: 1.200000
Total energy: -337.397723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.397723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.397723 (E_RNA)
where:
Base-Base interactions energy: -141.573
where: short stacking energy: -81.118
Base-Backbone interact. energy: -1.810
local terms energy: -194.014244
where:
bonds (distance) C4'-P energy: -55.770
bonds (distance) P-C4' energy: -67.072
flat angles C4'-P-C4' energy: -43.809
flat angles P-C4'-P energy: -36.026
tors. eta vs tors. theta energy: 8.664
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 332
Temperature: 1.250000
Total energy: -314.167490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.167490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.167490 (E_RNA)
where:
Base-Base interactions energy: -120.404
where: short stacking energy: -95.948
Base-Backbone interact. energy: -1.159
local terms energy: -192.604328
where:
bonds (distance) C4'-P energy: -47.476
bonds (distance) P-C4' energy: -66.615
flat angles C4'-P-C4' energy: -49.132
flat angles P-C4'-P energy: -23.451
tors. eta vs tors. theta energy: -5.931
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 332
Temperature: 1.300000
Total energy: -300.516049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.516049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.516049 (E_RNA)
where:
Base-Base interactions energy: -93.178
where: short stacking energy: -77.049
Base-Backbone interact. energy: -0.763
local terms energy: -206.574897
where:
bonds (distance) C4'-P energy: -54.336
bonds (distance) P-C4' energy: -69.485
flat angles C4'-P-C4' energy: -54.409
flat angles P-C4'-P energy: -33.613
tors. eta vs tors. theta energy: 5.268
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: 332
Temperature: 1.350000
Total energy: -272.054039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.054039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.054039 (E_RNA)
where:
Base-Base interactions energy: -87.767
where: short stacking energy: -60.438
Base-Backbone interact. energy: 0.466
local terms energy: -184.752137
where:
bonds (distance) C4'-P energy: -63.682
bonds (distance) P-C4' energy: -61.393
flat angles C4'-P-C4' energy: -59.550
flat angles P-C4'-P energy: -17.282
tors. eta vs tors. theta energy: 17.154
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: 1
=====================================
Write number: 333
Temperature: 0.900000
Total energy: -1059.668912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1059.668912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1059.668912 (E_RNA)
where:
Base-Base interactions energy: -692.308
where: short stacking energy: -316.580
Base-Backbone interact. energy: -1.394
local terms energy: -365.966985
where:
bonds (distance) C4'-P energy: -74.181
bonds (distance) P-C4' energy: -75.621
flat angles C4'-P-C4' energy: -65.594
flat angles P-C4'-P energy: -50.290
tors. eta vs tors. theta energy: -100.281
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: 4
=====================================
Write number: 333
Temperature: 0.950000
Total energy: -1077.800116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1077.800116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1077.800116 (E_RNA)
where:
Base-Base interactions energy: -716.629
where: short stacking energy: -329.412
Base-Backbone interact. energy: -0.733
local terms energy: -360.438197
where:
bonds (distance) C4'-P energy: -67.051
bonds (distance) P-C4' energy: -64.731
flat angles C4'-P-C4' energy: -74.762
flat angles P-C4'-P energy: -48.920
tors. eta vs tors. theta energy: -104.974
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 333
Temperature: 1.000000
Total energy: -903.451810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -903.451810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -903.451810 (E_RNA)
where:
Base-Base interactions energy: -573.280
where: short stacking energy: -277.292
Base-Backbone interact. energy: 0.544
local terms energy: -330.716063
where:
bonds (distance) C4'-P energy: -70.408
bonds (distance) P-C4' energy: -69.952
flat angles C4'-P-C4' energy: -69.116
flat angles P-C4'-P energy: -39.211
tors. eta vs tors. theta energy: -82.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 333
Temperature: 1.050000
Total energy: -774.705176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -774.705176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -774.705176 (E_RNA)
where:
Base-Base interactions energy: -457.049
where: short stacking energy: -235.096
Base-Backbone interact. energy: -0.271
local terms energy: -317.384898
where:
bonds (distance) C4'-P energy: -65.513
bonds (distance) P-C4' energy: -62.568
flat angles C4'-P-C4' energy: -67.551
flat angles P-C4'-P energy: -48.648
tors. eta vs tors. theta energy: -73.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 333
Temperature: 1.100000
Total energy: -769.094568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -769.094568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -769.094568 (E_RNA)
where:
Base-Base interactions energy: -468.144
where: short stacking energy: -235.109
Base-Backbone interact. energy: -0.235
local terms energy: -300.715109
where:
bonds (distance) C4'-P energy: -58.402
bonds (distance) P-C4' energy: -61.185
flat angles C4'-P-C4' energy: -63.474
flat angles P-C4'-P energy: -46.178
tors. eta vs tors. theta energy: -71.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 333
Temperature: 1.150000
Total energy: -491.630994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.630994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.630994 (E_RNA)
where:
Base-Base interactions energy: -249.217
where: short stacking energy: -145.362
Base-Backbone interact. energy: -1.100
local terms energy: -241.314581
where:
bonds (distance) C4'-P energy: -69.613
bonds (distance) P-C4' energy: -62.051
flat angles C4'-P-C4' energy: -54.216
flat angles P-C4'-P energy: -26.622
tors. eta vs tors. theta energy: -28.813
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: 333
Temperature: 1.200000
Total energy: -339.425263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.425263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.425263 (E_RNA)
where:
Base-Base interactions energy: -138.009
where: short stacking energy: -114.532
Base-Backbone interact. energy: -1.881
local terms energy: -199.535606
where:
bonds (distance) C4'-P energy: -58.452
bonds (distance) P-C4' energy: -65.364
flat angles C4'-P-C4' energy: -48.913
flat angles P-C4'-P energy: -25.424
tors. eta vs tors. theta energy: -1.382
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: 333
Temperature: 1.250000
Total energy: -302.238867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.238867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.238867 (E_RNA)
where:
Base-Base interactions energy: -103.340
where: short stacking energy: -70.214
Base-Backbone interact. energy: -2.198
local terms energy: -196.700674
where:
bonds (distance) C4'-P energy: -45.862
bonds (distance) P-C4' energy: -64.231
flat angles C4'-P-C4' energy: -45.501
flat angles P-C4'-P energy: -41.309
tors. eta vs tors. theta energy: 0.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 333
Temperature: 1.300000
Total energy: -294.225688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.225688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.225688 (E_RNA)
where:
Base-Base interactions energy: -113.902
where: short stacking energy: -104.662
Base-Backbone interact. energy: -0.945
local terms energy: -179.378968
where:
bonds (distance) C4'-P energy: -61.151
bonds (distance) P-C4' energy: -58.841
flat angles C4'-P-C4' energy: -44.299
flat angles P-C4'-P energy: -20.078
tors. eta vs tors. theta energy: 4.990
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 333
Temperature: 1.350000
Total energy: -266.110744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.110744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.110744 (E_RNA)
where:
Base-Base interactions energy: -83.892
where: short stacking energy: -66.208
Base-Backbone interact. energy: 2.281
local terms energy: -184.499584
where:
bonds (distance) C4'-P energy: -48.178
bonds (distance) P-C4' energy: -60.773
flat angles C4'-P-C4' energy: -52.785
flat angles P-C4'-P energy: -38.174
tors. eta vs tors. theta energy: 15.410
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 334
Temperature: 0.900000
Total energy: -1051.758411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1051.758411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1051.758411 (E_RNA)
where:
Base-Base interactions energy: -701.768
where: short stacking energy: -320.075
Base-Backbone interact. energy: -0.765
local terms energy: -349.225296
where:
bonds (distance) C4'-P energy: -70.841
bonds (distance) P-C4' energy: -63.931
flat angles C4'-P-C4' energy: -73.655
flat angles P-C4'-P energy: -39.062
tors. eta vs tors. theta energy: -101.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 334
Temperature: 0.950000
Total energy: -1075.331776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1075.331776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1075.331776 (E_RNA)
where:
Base-Base interactions energy: -709.363
where: short stacking energy: -326.787
Base-Backbone interact. energy: 1.035
local terms energy: -367.002921
where:
bonds (distance) C4'-P energy: -70.486
bonds (distance) P-C4' energy: -63.002
flat angles C4'-P-C4' energy: -76.462
flat angles P-C4'-P energy: -51.789
tors. eta vs tors. theta energy: -105.264
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 334
Temperature: 1.000000
Total energy: -874.291968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -874.291968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -874.291968 (E_RNA)
where:
Base-Base interactions energy: -550.997
where: short stacking energy: -261.115
Base-Backbone interact. energy: 1.228
local terms energy: -324.522762
where:
bonds (distance) C4'-P energy: -68.650
bonds (distance) P-C4' energy: -74.045
flat angles C4'-P-C4' energy: -62.395
flat angles P-C4'-P energy: -46.838
tors. eta vs tors. theta energy: -72.594
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 334
Temperature: 1.050000
Total energy: -774.521354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -774.521354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -774.521354 (E_RNA)
where:
Base-Base interactions energy: -471.772
where: short stacking energy: -256.377
Base-Backbone interact. energy: 0.040
local terms energy: -302.789763
where:
bonds (distance) C4'-P energy: -60.698
bonds (distance) P-C4' energy: -59.193
flat angles C4'-P-C4' energy: -69.138
flat angles P-C4'-P energy: -46.208
tors. eta vs tors. theta energy: -67.553
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 334
Temperature: 1.100000
Total energy: -784.181004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -784.181004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -784.181004 (E_RNA)
where:
Base-Base interactions energy: -495.651
where: short stacking energy: -234.060
Base-Backbone interact. energy: -0.242
local terms energy: -288.287680
where:
bonds (distance) C4'-P energy: -66.495
bonds (distance) P-C4' energy: -60.118
flat angles C4'-P-C4' energy: -66.119
flat angles P-C4'-P energy: -39.778
tors. eta vs tors. theta energy: -55.778
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 334
Temperature: 1.150000
Total energy: -465.904173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -465.904173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -465.904173 (E_RNA)
where:
Base-Base interactions energy: -233.689
where: short stacking energy: -141.120
Base-Backbone interact. energy: -4.840
local terms energy: -227.375181
where:
bonds (distance) C4'-P energy: -59.679
bonds (distance) P-C4' energy: -75.438
flat angles C4'-P-C4' energy: -49.885
flat angles P-C4'-P energy: -25.343
tors. eta vs tors. theta energy: -17.030
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: 8
=====================================
Write number: 334
Temperature: 1.200000
Total energy: -330.134893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.134893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.134893 (E_RNA)
where:
Base-Base interactions energy: -121.599
where: short stacking energy: -102.826
Base-Backbone interact. energy: -0.828
local terms energy: -207.707787
where:
bonds (distance) C4'-P energy: -51.418
bonds (distance) P-C4' energy: -70.525
flat angles C4'-P-C4' energy: -51.028
flat angles P-C4'-P energy: -33.698
tors. eta vs tors. theta energy: -1.039
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 334
Temperature: 1.250000
Total energy: -316.644180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.644180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.644180 (E_RNA)
where:
Base-Base interactions energy: -116.435
where: short stacking energy: -86.821
Base-Backbone interact. energy: -2.781
local terms energy: -197.428225
where:
bonds (distance) C4'-P energy: -54.281
bonds (distance) P-C4' energy: -63.340
flat angles C4'-P-C4' energy: -49.683
flat angles P-C4'-P energy: -34.352
tors. eta vs tors. theta energy: 4.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 334
Temperature: 1.300000
Total energy: -277.037101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.037101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.037101 (E_RNA)
where:
Base-Base interactions energy: -101.440
where: short stacking energy: -60.071
Base-Backbone interact. energy: -3.379
local terms energy: -172.218655
where:
bonds (distance) C4'-P energy: -65.202
bonds (distance) P-C4' energy: -43.110
flat angles C4'-P-C4' energy: -41.766
flat angles P-C4'-P energy: -31.753
tors. eta vs tors. theta energy: 9.612
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: 10
=====================================
Write number: 334
Temperature: 1.350000
Total energy: -273.554225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.554225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.554225 (E_RNA)
where:
Base-Base interactions energy: -107.069
where: short stacking energy: -64.473
Base-Backbone interact. energy: -0.732
local terms energy: -165.753360
where:
bonds (distance) C4'-P energy: -51.818
bonds (distance) P-C4' energy: -53.140
flat angles C4'-P-C4' energy: -45.738
flat angles P-C4'-P energy: -24.429
tors. eta vs tors. theta energy: 9.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 335
Temperature: 0.900000
Total energy: -1064.479162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1064.479162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1064.479162 (E_RNA)
where:
Base-Base interactions energy: -680.774
where: short stacking energy: -306.864
Base-Backbone interact. energy: 3.341
local terms energy: -387.045743
where:
bonds (distance) C4'-P energy: -74.195
bonds (distance) P-C4' energy: -75.829
flat angles C4'-P-C4' energy: -78.898
flat angles P-C4'-P energy: -54.501
tors. eta vs tors. theta energy: -103.623
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 335
Temperature: 0.950000
Total energy: -1061.907156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1061.907156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1061.907156 (E_RNA)
where:
Base-Base interactions energy: -687.709
where: short stacking energy: -313.894
Base-Backbone interact. energy: -0.801
local terms energy: -373.396718
where:
bonds (distance) C4'-P energy: -78.777
bonds (distance) P-C4' energy: -68.453
flat angles C4'-P-C4' energy: -76.223
flat angles P-C4'-P energy: -43.456
tors. eta vs tors. theta energy: -106.487
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: 5
=====================================
Write number: 335
Temperature: 1.000000
Total energy: -848.013197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -848.013197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -848.013197 (E_RNA)
where:
Base-Base interactions energy: -508.986
where: short stacking energy: -253.825
Base-Backbone interact. energy: -0.833
local terms energy: -338.193918
where:
bonds (distance) C4'-P energy: -68.651
bonds (distance) P-C4' energy: -75.370
flat angles C4'-P-C4' energy: -70.131
flat angles P-C4'-P energy: -44.551
tors. eta vs tors. theta energy: -79.491
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: 4, replica: 3
=====================================
Write number: 335
Temperature: 1.050000
Total energy: -796.413571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -796.413571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -796.413571 (E_RNA)
where:
Base-Base interactions energy: -490.339
where: short stacking energy: -235.395
Base-Backbone interact. energy: -1.913
local terms energy: -304.161619
where:
bonds (distance) C4'-P energy: -66.831
bonds (distance) P-C4' energy: -66.115
flat angles C4'-P-C4' energy: -65.570
flat angles P-C4'-P energy: -48.385
tors. eta vs tors. theta energy: -57.261
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 335
Temperature: 1.100000
Total energy: -741.753419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -741.753419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -741.753419 (E_RNA)
where:
Base-Base interactions energy: -447.031
where: short stacking energy: -222.707
Base-Backbone interact. energy: -1.017
local terms energy: -293.705806
where:
bonds (distance) C4'-P energy: -56.319
bonds (distance) P-C4' energy: -51.863
flat angles C4'-P-C4' energy: -64.983
flat angles P-C4'-P energy: -57.033
tors. eta vs tors. theta energy: -63.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 335
Temperature: 1.150000
Total energy: -478.859443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.859443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -478.859443 (E_RNA)
where:
Base-Base interactions energy: -236.500
where: short stacking energy: -137.582
Base-Backbone interact. energy: -2.425
local terms energy: -239.934928
where:
bonds (distance) C4'-P energy: -64.924
bonds (distance) P-C4' energy: -61.916
flat angles C4'-P-C4' energy: -60.468
flat angles P-C4'-P energy: -35.685
tors. eta vs tors. theta energy: -16.942
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 335
Temperature: 1.200000
Total energy: -343.949222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.949222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.949222 (E_RNA)
where:
Base-Base interactions energy: -126.644
where: short stacking energy: -101.174
Base-Backbone interact. energy: 1.096
local terms energy: -218.401222
where:
bonds (distance) C4'-P energy: -67.135
bonds (distance) P-C4' energy: -53.211
flat angles C4'-P-C4' energy: -59.050
flat angles P-C4'-P energy: -27.801
tors. eta vs tors. theta energy: -11.204
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: 9
=====================================
Write number: 335
Temperature: 1.250000
Total energy: -318.771461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.771461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.771461 (E_RNA)
where:
Base-Base interactions energy: -103.281
where: short stacking energy: -80.268
Base-Backbone interact. energy: -0.378
local terms energy: -215.111754
where:
bonds (distance) C4'-P energy: -53.863
bonds (distance) P-C4' energy: -64.998
flat angles C4'-P-C4' energy: -55.870
flat angles P-C4'-P energy: -41.384
tors. eta vs tors. theta energy: 1.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 335
Temperature: 1.300000
Total energy: -286.783581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.783581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.783581 (E_RNA)
where:
Base-Base interactions energy: -89.810
where: short stacking energy: -62.469
Base-Backbone interact. energy: -0.943
local terms energy: -196.030486
where:
bonds (distance) C4'-P energy: -53.534
bonds (distance) P-C4' energy: -65.207
flat angles C4'-P-C4' energy: -57.768
flat angles P-C4'-P energy: -35.889
tors. eta vs tors. theta energy: 16.367
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 335
Temperature: 1.350000
Total energy: -273.686814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.686814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.686814 (E_RNA)
where:
Base-Base interactions energy: -95.729
where: short stacking energy: -73.169
Base-Backbone interact. energy: 1.502
local terms energy: -179.460295
where:
bonds (distance) C4'-P energy: -52.801
bonds (distance) P-C4' energy: -66.548
flat angles C4'-P-C4' energy: -48.165
flat angles P-C4'-P energy: -25.427
tors. eta vs tors. theta energy: 13.482
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: 1, replica: 4
=====================================
Write number: 336
Temperature: 0.900000
Total energy: -1070.203498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1070.203498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1070.203498 (E_RNA)
where:
Base-Base interactions energy: -693.046
where: short stacking energy: -308.619
Base-Backbone interact. energy: -0.480
local terms energy: -376.677530
where:
bonds (distance) C4'-P energy: -68.075
bonds (distance) P-C4' energy: -72.294
flat angles C4'-P-C4' energy: -79.234
flat angles P-C4'-P energy: -57.616
tors. eta vs tors. theta energy: -99.458
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: 2, replica: 1
=====================================
Write number: 336
Temperature: 0.950000
Total energy: -1052.861361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1052.861361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1052.861361 (E_RNA)
where:
Base-Base interactions energy: -700.543
where: short stacking energy: -333.335
Base-Backbone interact. energy: -2.367
local terms energy: -349.951431
where:
bonds (distance) C4'-P energy: -69.179
bonds (distance) P-C4' energy: -55.855
flat angles C4'-P-C4' energy: -74.591
flat angles P-C4'-P energy: -47.196
tors. eta vs tors. theta energy: -103.130
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: 5
=====================================
Write number: 336
Temperature: 1.000000
Total energy: -840.168776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -840.168776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -840.168776 (E_RNA)
where:
Base-Base interactions energy: -527.405
where: short stacking energy: -249.351
Base-Backbone interact. energy: 0.575
local terms energy: -313.338230
where:
bonds (distance) C4'-P energy: -60.578
bonds (distance) P-C4' energy: -59.633
flat angles C4'-P-C4' energy: -72.891
flat angles P-C4'-P energy: -47.346
tors. eta vs tors. theta energy: -72.891
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 336
Temperature: 1.050000
Total energy: -802.074495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -802.074495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -802.074495 (E_RNA)
where:
Base-Base interactions energy: -502.673
where: short stacking energy: -226.099
Base-Backbone interact. energy: 0.026
local terms energy: -299.427254
where:
bonds (distance) C4'-P energy: -51.538
bonds (distance) P-C4' energy: -63.911
flat angles C4'-P-C4' energy: -70.728
flat angles P-C4'-P energy: -43.049
tors. eta vs tors. theta energy: -70.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 336
Temperature: 1.100000
Total energy: -716.552274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -716.552274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -716.552274 (E_RNA)
where:
Base-Base interactions energy: -455.006
where: short stacking energy: -212.863
Base-Backbone interact. energy: -0.443
local terms energy: -261.102865
where:
bonds (distance) C4'-P energy: -56.132
bonds (distance) P-C4' energy: -60.727
flat angles C4'-P-C4' energy: -52.511
flat angles P-C4'-P energy: -43.851
tors. eta vs tors. theta energy: -47.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 336
Temperature: 1.150000
Total energy: -465.632863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -465.632863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -465.632863 (E_RNA)
where:
Base-Base interactions energy: -211.605
where: short stacking energy: -130.638
Base-Backbone interact. energy: -1.766
local terms energy: -252.261385
where:
bonds (distance) C4'-P energy: -64.540
bonds (distance) P-C4' energy: -54.915
flat angles C4'-P-C4' energy: -68.057
flat angles P-C4'-P energy: -56.884
tors. eta vs tors. theta energy: -7.866
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 336
Temperature: 1.200000
Total energy: -376.832752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -376.832752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -376.832752 (E_RNA)
where:
Base-Base interactions energy: -155.673
where: short stacking energy: -104.653
Base-Backbone interact. energy: -3.047
local terms energy: -218.113084
where:
bonds (distance) C4'-P energy: -52.043
bonds (distance) P-C4' energy: -72.141
flat angles C4'-P-C4' energy: -65.629
flat angles P-C4'-P energy: -29.852
tors. eta vs tors. theta energy: 1.552
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 336
Temperature: 1.250000
Total energy: -316.829074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.829074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.829074 (E_RNA)
where:
Base-Base interactions energy: -122.004
where: short stacking energy: -100.990
Base-Backbone interact. energy: -0.129
local terms energy: -194.696025
where:
bonds (distance) C4'-P energy: -49.365
bonds (distance) P-C4' energy: -60.043
flat angles C4'-P-C4' energy: -59.388
flat angles P-C4'-P energy: -18.962
tors. eta vs tors. theta energy: -6.939
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 336
Temperature: 1.300000
Total energy: -299.713984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.713984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.713984 (E_RNA)
where:
Base-Base interactions energy: -120.845
where: short stacking energy: -76.235
Base-Backbone interact. energy: -1.857
local terms energy: -177.011704
where:
bonds (distance) C4'-P energy: -56.439
bonds (distance) P-C4' energy: -52.219
flat angles C4'-P-C4' energy: -34.355
flat angles P-C4'-P energy: -40.671
tors. eta vs tors. theta energy: 6.672
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 336
Temperature: 1.350000
Total energy: -264.211513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.211513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.211513 (E_RNA)
where:
Base-Base interactions energy: -74.433
where: short stacking energy: -55.258
Base-Backbone interact. energy: 1.320
local terms energy: -191.098896
where:
bonds (distance) C4'-P energy: -55.933
bonds (distance) P-C4' energy: -59.778
flat angles C4'-P-C4' energy: -61.930
flat angles P-C4'-P energy: -39.533
tors. eta vs tors. theta energy: 26.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 337
Temperature: 0.900000
Total energy: -1066.571164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1066.571164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1066.571164 (E_RNA)
where:
Base-Base interactions energy: -691.302
where: short stacking energy: -305.704
Base-Backbone interact. energy: 0.121
local terms energy: -375.390243
where:
bonds (distance) C4'-P energy: -66.095
bonds (distance) P-C4' energy: -71.193
flat angles C4'-P-C4' energy: -81.757
flat angles P-C4'-P energy: -57.612
tors. eta vs tors. theta energy: -98.733
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 337
Temperature: 0.950000
Total energy: -1027.401440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1027.401440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1027.401440 (E_RNA)
where:
Base-Base interactions energy: -679.467
where: short stacking energy: -304.193
Base-Backbone interact. energy: -1.709
local terms energy: -346.224940
where:
bonds (distance) C4'-P energy: -65.626
bonds (distance) P-C4' energy: -69.578
flat angles C4'-P-C4' energy: -68.900
flat angles P-C4'-P energy: -47.929
tors. eta vs tors. theta energy: -94.192
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: 5
=====================================
Write number: 337
Temperature: 1.000000
Total energy: -836.009093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -836.009093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -836.009093 (E_RNA)
where:
Base-Base interactions energy: -526.446
where: short stacking energy: -244.642
Base-Backbone interact. energy: -1.272
local terms energy: -308.292031
where:
bonds (distance) C4'-P energy: -68.091
bonds (distance) P-C4' energy: -71.173
flat angles C4'-P-C4' energy: -70.248
flat angles P-C4'-P energy: -33.388
tors. eta vs tors. theta energy: -65.392
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 337
Temperature: 1.050000
Total energy: -841.665627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -841.665627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -841.665627 (E_RNA)
where:
Base-Base interactions energy: -532.285
where: short stacking energy: -255.459
Base-Backbone interact. energy: 0.741
local terms energy: -310.122060
where:
bonds (distance) C4'-P energy: -48.819
bonds (distance) P-C4' energy: -71.385
flat angles C4'-P-C4' energy: -63.812
flat angles P-C4'-P energy: -49.057
tors. eta vs tors. theta energy: -77.050
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: 6
=====================================
Write number: 337
Temperature: 1.100000
Total energy: -715.428767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -715.428767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -715.428767 (E_RNA)
where:
Base-Base interactions energy: -415.128
where: short stacking energy: -209.011
Base-Backbone interact. energy: -0.516
local terms energy: -299.785172
where:
bonds (distance) C4'-P energy: -69.988
bonds (distance) P-C4' energy: -67.086
flat angles C4'-P-C4' energy: -68.047
flat angles P-C4'-P energy: -38.924
tors. eta vs tors. theta energy: -55.740
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: 7
=====================================
Write number: 337
Temperature: 1.150000
Total energy: -449.448150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -449.448150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -449.448150 (E_RNA)
where:
Base-Base interactions energy: -204.610
where: short stacking energy: -122.328
Base-Backbone interact. energy: 0.460
local terms energy: -245.297692
where:
bonds (distance) C4'-P energy: -74.232
bonds (distance) P-C4' energy: -58.558
flat angles C4'-P-C4' energy: -58.157
flat angles P-C4'-P energy: -30.004
tors. eta vs tors. theta energy: -24.348
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: 7, replica: 9
=====================================
Write number: 337
Temperature: 1.200000
Total energy: -323.500370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.500370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.500370 (E_RNA)
where:
Base-Base interactions energy: -102.484
where: short stacking energy: -80.911
Base-Backbone interact. energy: -1.031
local terms energy: -219.985822
where:
bonds (distance) C4'-P energy: -71.177
bonds (distance) P-C4' energy: -69.442
flat angles C4'-P-C4' energy: -54.812
flat angles P-C4'-P energy: -36.939
tors. eta vs tors. theta energy: 12.385
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: 8, replica: 2
=====================================
Write number: 337
Temperature: 1.250000
Total energy: -314.488734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.488734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.488734 (E_RNA)
where:
Base-Base interactions energy: -121.163
where: short stacking energy: -88.043
Base-Backbone interact. energy: -0.698
local terms energy: -192.627684
where:
bonds (distance) C4'-P energy: -49.810
bonds (distance) P-C4' energy: -55.550
flat angles C4'-P-C4' energy: -47.646
flat angles P-C4'-P energy: -33.669
tors. eta vs tors. theta energy: -5.952
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: 8
=====================================
Write number: 337
Temperature: 1.300000
Total energy: -310.795449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.795449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.795449 (E_RNA)
where:
Base-Base interactions energy: -117.857
where: short stacking energy: -87.301
Base-Backbone interact. energy: 0.613
local terms energy: -193.551402
where:
bonds (distance) C4'-P energy: -54.495
bonds (distance) P-C4' energy: -55.411
flat angles C4'-P-C4' energy: -50.192
flat angles P-C4'-P energy: -31.175
tors. eta vs tors. theta energy: -2.278
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: 10, replica: 10
=====================================
Write number: 337
Temperature: 1.350000
Total energy: -275.982828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.982828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.982828 (E_RNA)
where:
Base-Base interactions energy: -82.264
where: short stacking energy: -76.483
Base-Backbone interact. energy: 0.896
local terms energy: -194.614431
where:
bonds (distance) C4'-P energy: -58.713
bonds (distance) P-C4' energy: -62.296
flat angles C4'-P-C4' energy: -61.527
flat angles P-C4'-P energy: -26.868
tors. eta vs tors. theta energy: 14.790
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: 1
=====================================
Write number: 338
Temperature: 0.900000
Total energy: -1051.640426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1051.640426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1051.640426 (E_RNA)
where:
Base-Base interactions energy: -690.888
where: short stacking energy: -305.945
Base-Backbone interact. energy: 0.216
local terms energy: -360.968741
where:
bonds (distance) C4'-P energy: -71.810
bonds (distance) P-C4' energy: -67.599
flat angles C4'-P-C4' energy: -68.707
flat angles P-C4'-P energy: -54.515
tors. eta vs tors. theta energy: -98.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 338
Temperature: 0.950000
Total energy: -1076.228182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1076.228182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1076.228182 (E_RNA)
where:
Base-Base interactions energy: -721.488
where: short stacking energy: -315.578
Base-Backbone interact. energy: -1.076
local terms energy: -353.664591
where:
bonds (distance) C4'-P energy: -63.670
bonds (distance) P-C4' energy: -68.340
flat angles C4'-P-C4' energy: -70.485
flat angles P-C4'-P energy: -48.679
tors. eta vs tors. theta energy: -102.491
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 338
Temperature: 1.000000
Total energy: -874.736698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -874.736698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -874.736698 (E_RNA)
where:
Base-Base interactions energy: -555.231
where: short stacking energy: -245.088
Base-Backbone interact. energy: 0.898
local terms energy: -320.404007
where:
bonds (distance) C4'-P energy: -64.676
bonds (distance) P-C4' energy: -56.679
flat angles C4'-P-C4' energy: -68.323
flat angles P-C4'-P energy: -55.395
tors. eta vs tors. theta energy: -75.330
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 338
Temperature: 1.050000
Total energy: -761.789675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -761.789675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -761.789675 (E_RNA)
where:
Base-Base interactions energy: -475.246
where: short stacking energy: -232.330
Base-Backbone interact. energy: -1.355
local terms energy: -285.188638
where:
bonds (distance) C4'-P energy: -72.519
bonds (distance) P-C4' energy: -57.075
flat angles C4'-P-C4' energy: -65.143
flat angles P-C4'-P energy: -35.199
tors. eta vs tors. theta energy: -55.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 338
Temperature: 1.100000
Total energy: -704.589099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -704.589099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -704.589099 (E_RNA)
where:
Base-Base interactions energy: -411.266
where: short stacking energy: -221.600
Base-Backbone interact. energy: -3.054
local terms energy: -290.268884
where:
bonds (distance) C4'-P energy: -62.536
bonds (distance) P-C4' energy: -71.511
flat angles C4'-P-C4' energy: -56.386
flat angles P-C4'-P energy: -35.972
tors. eta vs tors. theta energy: -63.864
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 338
Temperature: 1.150000
Total energy: -460.987318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -460.987318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -460.987318 (E_RNA)
where:
Base-Base interactions energy: -235.623
where: short stacking energy: -129.120
Base-Backbone interact. energy: -1.366
local terms energy: -223.998235
where:
bonds (distance) C4'-P energy: -57.331
bonds (distance) P-C4' energy: -61.935
flat angles C4'-P-C4' energy: -59.223
flat angles P-C4'-P energy: -28.013
tors. eta vs tors. theta energy: -17.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 338
Temperature: 1.200000
Total energy: -331.431608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.431608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.431608 (E_RNA)
where:
Base-Base interactions energy: -122.291
where: short stacking energy: -80.203
Base-Backbone interact. energy: -1.163
local terms energy: -207.977708
where:
bonds (distance) C4'-P energy: -56.062
bonds (distance) P-C4' energy: -67.017
flat angles C4'-P-C4' energy: -47.534
flat angles P-C4'-P energy: -41.235
tors. eta vs tors. theta energy: 3.871
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 338
Temperature: 1.250000
Total energy: -321.649733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.649733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.649733 (E_RNA)
where:
Base-Base interactions energy: -125.327
where: short stacking energy: -98.349
Base-Backbone interact. energy: 0.333
local terms energy: -196.655683
where:
bonds (distance) C4'-P energy: -52.931
bonds (distance) P-C4' energy: -72.558
flat angles C4'-P-C4' energy: -37.695
flat angles P-C4'-P energy: -30.436
tors. eta vs tors. theta energy: -3.035
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 338
Temperature: 1.300000
Total energy: -306.044349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.044349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.044349 (E_RNA)
where:
Base-Base interactions energy: -98.952
where: short stacking energy: -75.222
Base-Backbone interact. energy: -1.775
local terms energy: -205.317718
where:
bonds (distance) C4'-P energy: -55.600
bonds (distance) P-C4' energy: -71.073
flat angles C4'-P-C4' energy: -58.424
flat angles P-C4'-P energy: -33.206
tors. eta vs tors. theta energy: 12.985
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 338
Temperature: 1.350000
Total energy: -251.886193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.886193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.886193 (E_RNA)
where:
Base-Base interactions energy: -90.480
where: short stacking energy: -66.168
Base-Backbone interact. energy: 0.525
local terms energy: -161.931160
where:
bonds (distance) C4'-P energy: -47.887
bonds (distance) P-C4' energy: -50.864
flat angles C4'-P-C4' energy: -45.381
flat angles P-C4'-P energy: -33.811
tors. eta vs tors. theta energy: 16.012
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: 1
=====================================
Write number: 339
Temperature: 0.900000
Total energy: -1070.041405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1070.041405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1070.041405 (E_RNA)
where:
Base-Base interactions energy: -710.877
where: short stacking energy: -312.525
Base-Backbone interact. energy: -2.514
local terms energy: -356.650641
where:
bonds (distance) C4'-P energy: -64.423
bonds (distance) P-C4' energy: -73.959
flat angles C4'-P-C4' energy: -76.238
flat angles P-C4'-P energy: -42.279
tors. eta vs tors. theta energy: -99.752
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 339
Temperature: 0.950000
Total energy: -1062.923693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1062.923693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1062.923693 (E_RNA)
where:
Base-Base interactions energy: -719.970
where: short stacking energy: -333.825
Base-Backbone interact. energy: -0.044
local terms energy: -342.909812
where:
bonds (distance) C4'-P energy: -55.645
bonds (distance) P-C4' energy: -71.337
flat angles C4'-P-C4' energy: -69.058
flat angles P-C4'-P energy: -43.908
tors. eta vs tors. theta energy: -102.961
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: 339
Temperature: 1.000000
Total energy: -886.645864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -886.645864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -886.645864 (E_RNA)
where:
Base-Base interactions energy: -550.204
where: short stacking energy: -242.054
Base-Backbone interact. energy: 0.623
local terms energy: -337.064351
where:
bonds (distance) C4'-P energy: -77.032
bonds (distance) P-C4' energy: -74.500
flat angles C4'-P-C4' energy: -62.709
flat angles P-C4'-P energy: -51.547
tors. eta vs tors. theta energy: -71.277
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 339
Temperature: 1.050000
Total energy: -765.539325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -765.539325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -765.539325 (E_RNA)
where:
Base-Base interactions energy: -470.121
where: short stacking energy: -239.255
Base-Backbone interact. energy: 1.882
local terms energy: -297.300520
where:
bonds (distance) C4'-P energy: -65.132
bonds (distance) P-C4' energy: -69.658
flat angles C4'-P-C4' energy: -56.244
flat angles P-C4'-P energy: -45.356
tors. eta vs tors. theta energy: -60.911
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: 6
=====================================
Write number: 339
Temperature: 1.100000
Total energy: -682.401292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -682.401292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -682.401292 (E_RNA)
where:
Base-Base interactions energy: -422.212
where: short stacking energy: -193.724
Base-Backbone interact. energy: 0.442
local terms energy: -260.631641
where:
bonds (distance) C4'-P energy: -61.465
bonds (distance) P-C4' energy: -58.804
flat angles C4'-P-C4' energy: -63.633
flat angles P-C4'-P energy: -31.655
tors. eta vs tors. theta energy: -45.075
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: 7
=====================================
Write number: 339
Temperature: 1.150000
Total energy: -431.643557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -431.643557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -431.643557 (E_RNA)
where:
Base-Base interactions energy: -188.869
where: short stacking energy: -117.118
Base-Backbone interact. energy: -1.939
local terms energy: -240.835825
where:
bonds (distance) C4'-P energy: -59.446
bonds (distance) P-C4' energy: -71.016
flat angles C4'-P-C4' energy: -63.665
flat angles P-C4'-P energy: -31.417
tors. eta vs tors. theta energy: -15.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 339
Temperature: 1.200000
Total energy: -346.336428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.336428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.336428 (E_RNA)
where:
Base-Base interactions energy: -120.492
where: short stacking energy: -88.780
Base-Backbone interact. energy: 0.258
local terms energy: -226.102238
where:
bonds (distance) C4'-P energy: -61.617
bonds (distance) P-C4' energy: -59.914
flat angles C4'-P-C4' energy: -65.424
flat angles P-C4'-P energy: -46.938
tors. eta vs tors. theta energy: 7.790
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 339
Temperature: 1.250000
Total energy: -320.731685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.731685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.731685 (E_RNA)
where:
Base-Base interactions energy: -143.277
where: short stacking energy: -110.022
Base-Backbone interact. energy: -5.623
local terms energy: -171.831939
where:
bonds (distance) C4'-P energy: -47.289
bonds (distance) P-C4' energy: -48.012
flat angles C4'-P-C4' energy: -46.956
flat angles P-C4'-P energy: -31.784
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: 9, replica: 9
=====================================
Write number: 339
Temperature: 1.300000
Total energy: -286.998915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.998915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.998915 (E_RNA)
where:
Base-Base interactions energy: -87.602
where: short stacking energy: -72.781
Base-Backbone interact. energy: -2.479
local terms energy: -196.917930
where:
bonds (distance) C4'-P energy: -69.573
bonds (distance) P-C4' energy: -66.090
flat angles C4'-P-C4' energy: -52.383
flat angles P-C4'-P energy: -26.588
tors. eta vs tors. theta energy: 17.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 339
Temperature: 1.350000
Total energy: -296.068654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.068654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.068654 (E_RNA)
where:
Base-Base interactions energy: -98.238
where: short stacking energy: -74.918
Base-Backbone interact. energy: 1.874
local terms energy: -199.704736
where:
bonds (distance) C4'-P energy: -64.367
bonds (distance) P-C4' energy: -61.134
flat angles C4'-P-C4' energy: -56.633
flat angles P-C4'-P energy: -24.459
tors. eta vs tors. theta energy: 6.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 340
Temperature: 0.900000
Total energy: -1079.236773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1079.236773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1079.236773 (E_RNA)
where:
Base-Base interactions energy: -706.743
where: short stacking energy: -310.336
Base-Backbone interact. energy: -0.476
local terms energy: -372.018377
where:
bonds (distance) C4'-P energy: -69.029
bonds (distance) P-C4' energy: -73.576
flat angles C4'-P-C4' energy: -74.359
flat angles P-C4'-P energy: -51.520
tors. eta vs tors. theta energy: -103.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 340
Temperature: 0.950000
Total energy: -1044.002899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1044.002899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1044.002899 (E_RNA)
where:
Base-Base interactions energy: -689.996
where: short stacking energy: -301.234
Base-Backbone interact. energy: -1.496
local terms energy: -352.511209
where:
bonds (distance) C4'-P energy: -66.024
bonds (distance) P-C4' energy: -73.605
flat angles C4'-P-C4' energy: -75.690
flat angles P-C4'-P energy: -47.501
tors. eta vs tors. theta energy: -89.691
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: 340
Temperature: 1.000000
Total energy: -890.273342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -890.273342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -890.273342 (E_RNA)
where:
Base-Base interactions energy: -570.864
where: short stacking energy: -261.753
Base-Backbone interact. energy: -1.473
local terms energy: -317.935791
where:
bonds (distance) C4'-P energy: -61.889
bonds (distance) P-C4' energy: -61.976
flat angles C4'-P-C4' energy: -71.422
flat angles P-C4'-P energy: -49.192
tors. eta vs tors. theta energy: -73.456
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 340
Temperature: 1.050000
Total energy: -773.821512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -773.821512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -773.821512 (E_RNA)
where:
Base-Base interactions energy: -479.652
where: short stacking energy: -239.067
Base-Backbone interact. energy: -2.575
local terms energy: -291.594048
where:
bonds (distance) C4'-P energy: -66.772
bonds (distance) P-C4' energy: -70.193
flat angles C4'-P-C4' energy: -62.529
flat angles P-C4'-P energy: -32.899
tors. eta vs tors. theta energy: -59.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 340
Temperature: 1.100000
Total energy: -723.316800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -723.316800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -723.316800 (E_RNA)
where:
Base-Base interactions energy: -438.848
where: short stacking energy: -218.231
Base-Backbone interact. energy: 3.191
local terms energy: -287.660388
where:
bonds (distance) C4'-P energy: -57.225
bonds (distance) P-C4' energy: -53.720
flat angles C4'-P-C4' energy: -64.359
flat angles P-C4'-P energy: -55.361
tors. eta vs tors. theta energy: -56.996
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: 7
=====================================
Write number: 340
Temperature: 1.150000
Total energy: -472.093359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -472.093359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.093359 (E_RNA)
where:
Base-Base interactions energy: -232.319
where: short stacking energy: -131.187
Base-Backbone interact. energy: -0.372
local terms energy: -239.402314
where:
bonds (distance) C4'-P energy: -68.754
bonds (distance) P-C4' energy: -64.698
flat angles C4'-P-C4' energy: -63.976
flat angles P-C4'-P energy: -28.057
tors. eta vs tors. theta energy: -13.917
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 340
Temperature: 1.200000
Total energy: -330.322248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.322248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.322248 (E_RNA)
where:
Base-Base interactions energy: -116.113
where: short stacking energy: -89.027
Base-Backbone interact. energy: -0.951
local terms energy: -213.258673
where:
bonds (distance) C4'-P energy: -60.012
bonds (distance) P-C4' energy: -61.329
flat angles C4'-P-C4' energy: -57.316
flat angles P-C4'-P energy: -35.103
tors. eta vs tors. theta energy: 0.501
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 340
Temperature: 1.250000
Total energy: -360.616670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.616670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.616670 (E_RNA)
where:
Base-Base interactions energy: -139.608
where: short stacking energy: -91.916
Base-Backbone interact. energy: -1.920
local terms energy: -219.088903
where:
bonds (distance) C4'-P energy: -70.503
bonds (distance) P-C4' energy: -59.979
flat angles C4'-P-C4' energy: -60.579
flat angles P-C4'-P energy: -26.807
tors. eta vs tors. theta energy: -1.220
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 340
Temperature: 1.300000
Total energy: -284.965571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.965571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.965571 (E_RNA)
where:
Base-Base interactions energy: -100.181
where: short stacking energy: -46.447
Base-Backbone interact. energy: -1.354
local terms energy: -183.429859
where:
bonds (distance) C4'-P energy: -66.927
bonds (distance) P-C4' energy: -64.359
flat angles C4'-P-C4' energy: -48.931
flat angles P-C4'-P energy: -27.634
tors. eta vs tors. theta energy: 24.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 340
Temperature: 1.350000
Total energy: -261.366186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.366186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.366186 (E_RNA)
where:
Base-Base interactions energy: -86.800
where: short stacking energy: -72.005
Base-Backbone interact. energy: 7.207
local terms energy: -181.773504
where:
bonds (distance) C4'-P energy: -60.164
bonds (distance) P-C4' energy: -56.357
flat angles C4'-P-C4' energy: -53.356
flat angles P-C4'-P energy: -28.170
tors. eta vs tors. theta energy: 16.274
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 341
Temperature: 0.900000
Total energy: -1116.148543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1116.148543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1116.148543 (E_RNA)
where:
Base-Base interactions energy: -735.043
where: short stacking energy: -307.868
Base-Backbone interact. energy: -2.042
local terms energy: -379.063799
where:
bonds (distance) C4'-P energy: -77.038
bonds (distance) P-C4' energy: -72.824
flat angles C4'-P-C4' energy: -76.023
flat angles P-C4'-P energy: -49.352
tors. eta vs tors. theta energy: -103.828
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 341
Temperature: 0.950000
Total energy: -1006.336304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1006.336304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1006.336304 (E_RNA)
where:
Base-Base interactions energy: -652.383
where: short stacking energy: -304.476
Base-Backbone interact. energy: -1.981
local terms energy: -351.971897
where:
bonds (distance) C4'-P energy: -62.530
bonds (distance) P-C4' energy: -73.450
flat angles C4'-P-C4' energy: -72.796
flat angles P-C4'-P energy: -53.313
tors. eta vs tors. theta energy: -89.883
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 341
Temperature: 1.000000
Total energy: -857.463215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -857.463215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -857.463215 (E_RNA)
where:
Base-Base interactions energy: -538.137
where: short stacking energy: -244.875
Base-Backbone interact. energy: -1.302
local terms energy: -318.024716
where:
bonds (distance) C4'-P energy: -52.501
bonds (distance) P-C4' energy: -68.233
flat angles C4'-P-C4' energy: -73.910
flat angles P-C4'-P energy: -49.101
tors. eta vs tors. theta energy: -74.280
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: 341
Temperature: 1.050000
Total energy: -794.589243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -794.589243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -794.589243 (E_RNA)
where:
Base-Base interactions energy: -505.680
where: short stacking energy: -235.634
Base-Backbone interact. energy: -0.924
local terms energy: -287.985222
where:
bonds (distance) C4'-P energy: -67.602
bonds (distance) P-C4' energy: -64.650
flat angles C4'-P-C4' energy: -56.041
flat angles P-C4'-P energy: -45.843
tors. eta vs tors. theta energy: -53.848
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: 6
=====================================
Write number: 341
Temperature: 1.100000
Total energy: -700.951067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -700.951067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -700.951067 (E_RNA)
where:
Base-Base interactions energy: -421.441
where: short stacking energy: -197.322
Base-Backbone interact. energy: -1.630
local terms energy: -277.879765
where:
bonds (distance) C4'-P energy: -45.837
bonds (distance) P-C4' energy: -63.983
flat angles C4'-P-C4' energy: -76.280
flat angles P-C4'-P energy: -39.562
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: 6, replica: 7
=====================================
Write number: 341
Temperature: 1.150000
Total energy: -454.001361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -454.001361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -454.001361 (E_RNA)
where:
Base-Base interactions energy: -223.649
where: short stacking energy: -131.370
Base-Backbone interact. energy: -0.053
local terms energy: -230.299250
where:
bonds (distance) C4'-P energy: -59.223
bonds (distance) P-C4' energy: -58.672
flat angles C4'-P-C4' energy: -62.301
flat angles P-C4'-P energy: -32.762
tors. eta vs tors. theta energy: -17.341
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: 8
=====================================
Write number: 341
Temperature: 1.200000
Total energy: -341.621296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.621296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.621296 (E_RNA)
where:
Base-Base interactions energy: -122.614
where: short stacking energy: -99.283
Base-Backbone interact. energy: 0.628
local terms energy: -219.635217
where:
bonds (distance) C4'-P energy: -58.897
bonds (distance) P-C4' energy: -64.946
flat angles C4'-P-C4' energy: -53.656
flat angles P-C4'-P energy: -38.880
tors. eta vs tors. theta energy: -3.256
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: 2
=====================================
Write number: 341
Temperature: 1.250000
Total energy: -344.288770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.288770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.288770 (E_RNA)
where:
Base-Base interactions energy: -135.153
where: short stacking energy: -89.096
Base-Backbone interact. energy: 1.128
local terms energy: -210.263696
where:
bonds (distance) C4'-P energy: -60.412
bonds (distance) P-C4' energy: -64.638
flat angles C4'-P-C4' energy: -61.524
flat angles P-C4'-P energy: -36.270
tors. eta vs tors. theta energy: 12.580
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: 9
=====================================
Write number: 341
Temperature: 1.300000
Total energy: -275.022320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.022320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.022320 (E_RNA)
where:
Base-Base interactions energy: -87.043
where: short stacking energy: -78.198
Base-Backbone interact. energy: 0.393
local terms energy: -188.372338
where:
bonds (distance) C4'-P energy: -53.339
bonds (distance) P-C4' energy: -64.031
flat angles C4'-P-C4' energy: -63.942
flat angles P-C4'-P energy: -16.715
tors. eta vs tors. theta energy: 9.655
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 341
Temperature: 1.350000
Total energy: -248.329624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.329624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.329624 (E_RNA)
where:
Base-Base interactions energy: -99.701
where: short stacking energy: -72.173
Base-Backbone interact. energy: 0.361
local terms energy: -148.989785
where:
bonds (distance) C4'-P energy: -47.678
bonds (distance) P-C4' energy: -57.450
flat angles C4'-P-C4' energy: -41.948
flat angles P-C4'-P energy: -22.459
tors. eta vs tors. theta energy: 20.545
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: 4
=====================================
Write number: 342
Temperature: 0.900000
Total energy: -1106.445430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1106.445430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1106.445430 (E_RNA)
where:
Base-Base interactions energy: -737.445
where: short stacking energy: -327.783
Base-Backbone interact. energy: -1.067
local terms energy: -367.933256
where:
bonds (distance) C4'-P energy: -66.149
bonds (distance) P-C4' energy: -71.230
flat angles C4'-P-C4' energy: -73.939
flat angles P-C4'-P energy: -54.861
tors. eta vs tors. theta energy: -101.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 342
Temperature: 0.950000
Total energy: -1005.541895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1005.541895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1005.541895 (E_RNA)
where:
Base-Base interactions energy: -633.591
where: short stacking energy: -298.944
Base-Backbone interact. energy: -1.032
local terms energy: -370.919309
where:
bonds (distance) C4'-P energy: -71.764
bonds (distance) P-C4' energy: -73.343
flat angles C4'-P-C4' energy: -79.402
flat angles P-C4'-P energy: -46.831
tors. eta vs tors. theta energy: -99.580
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 342
Temperature: 1.000000
Total energy: -892.692418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -892.692418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -892.692418 (E_RNA)
where:
Base-Base interactions energy: -549.779
where: short stacking energy: -269.502
Base-Backbone interact. energy: 0.032
local terms energy: -342.945247
where:
bonds (distance) C4'-P energy: -64.259
bonds (distance) P-C4' energy: -71.815
flat angles C4'-P-C4' energy: -68.737
flat angles P-C4'-P energy: -44.237
tors. eta vs tors. theta energy: -93.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 342
Temperature: 1.050000
Total energy: -842.320678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -842.320678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -842.320678 (E_RNA)
where:
Base-Base interactions energy: -532.368
where: short stacking energy: -259.562
Base-Backbone interact. energy: 1.516
local terms energy: -311.469373
where:
bonds (distance) C4'-P energy: -63.155
bonds (distance) P-C4' energy: -71.156
flat angles C4'-P-C4' energy: -70.265
flat angles P-C4'-P energy: -32.864
tors. eta vs tors. theta energy: -74.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 342
Temperature: 1.100000
Total energy: -688.429293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -688.429293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -688.429293 (E_RNA)
where:
Base-Base interactions energy: -407.165
where: short stacking energy: -191.523
Base-Backbone interact. energy: -0.343
local terms energy: -280.921017
where:
bonds (distance) C4'-P energy: -69.144
bonds (distance) P-C4' energy: -58.641
flat angles C4'-P-C4' energy: -66.186
flat angles P-C4'-P energy: -41.410
tors. eta vs tors. theta energy: -45.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 342
Temperature: 1.150000
Total energy: -461.626135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -461.626135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -461.626135 (E_RNA)
where:
Base-Base interactions energy: -208.670
where: short stacking energy: -142.678
Base-Backbone interact. energy: 1.229
local terms energy: -254.184629
where:
bonds (distance) C4'-P energy: -51.756
bonds (distance) P-C4' energy: -63.779
flat angles C4'-P-C4' energy: -70.812
flat angles P-C4'-P energy: -49.081
tors. eta vs tors. theta energy: -18.756
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: 7, replica: 8
=====================================
Write number: 342
Temperature: 1.200000
Total energy: -372.727131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -372.727131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -372.727131 (E_RNA)
where:
Base-Base interactions energy: -132.241
where: short stacking energy: -103.680
Base-Backbone interact. energy: 0.593
local terms energy: -241.079665
where:
bonds (distance) C4'-P energy: -69.923
bonds (distance) P-C4' energy: -66.129
flat angles C4'-P-C4' energy: -55.640
flat angles P-C4'-P energy: -38.621
tors. eta vs tors. theta energy: -10.767
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: 2
=====================================
Write number: 342
Temperature: 1.250000
Total energy: -318.884985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.884985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.884985 (E_RNA)
where:
Base-Base interactions energy: -125.704
where: short stacking energy: -103.428
Base-Backbone interact. energy: -1.271
local terms energy: -191.910254
where:
bonds (distance) C4'-P energy: -52.653
bonds (distance) P-C4' energy: -63.336
flat angles C4'-P-C4' energy: -51.742
flat angles P-C4'-P energy: -26.747
tors. eta vs tors. theta energy: 2.568
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 342
Temperature: 1.300000
Total energy: -284.145017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.145017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.145017 (E_RNA)
where:
Base-Base interactions energy: -100.369
where: short stacking energy: -74.474
Base-Backbone interact. energy: -1.945
local terms energy: -181.830762
where:
bonds (distance) C4'-P energy: -54.457
bonds (distance) P-C4' energy: -58.013
flat angles C4'-P-C4' energy: -55.842
flat angles P-C4'-P energy: -16.886
tors. eta vs tors. theta energy: 3.368
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 342
Temperature: 1.350000
Total energy: -258.872696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.872696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.872696 (E_RNA)
where:
Base-Base interactions energy: -77.717
where: short stacking energy: -71.144
Base-Backbone interact. energy: -0.925
local terms energy: -180.230961
where:
bonds (distance) C4'-P energy: -54.941
bonds (distance) P-C4' energy: -64.688
flat angles C4'-P-C4' energy: -36.733
flat angles P-C4'-P energy: -36.298
tors. eta vs tors. theta energy: 12.428
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: 4
=====================================
Write number: 343
Temperature: 0.900000
Total energy: -1098.904648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1098.904648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1098.904648 (E_RNA)
where:
Base-Base interactions energy: -719.294
where: short stacking energy: -317.124
Base-Backbone interact. energy: -0.987
local terms energy: -378.624011
where:
bonds (distance) C4'-P energy: -73.102
bonds (distance) P-C4' energy: -71.453
flat angles C4'-P-C4' energy: -84.440
flat angles P-C4'-P energy: -49.713
tors. eta vs tors. theta energy: -99.916
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: 1
=====================================
Write number: 343
Temperature: 0.950000
Total energy: -1000.976762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1000.976762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1000.976762 (E_RNA)
where:
Base-Base interactions energy: -661.780
where: short stacking energy: -295.842
Base-Backbone interact. energy: -2.432
local terms energy: -336.764035
where:
bonds (distance) C4'-P energy: -52.762
bonds (distance) P-C4' energy: -68.393
flat angles C4'-P-C4' energy: -75.011
flat angles P-C4'-P energy: -43.812
tors. eta vs tors. theta energy: -96.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 343
Temperature: 1.000000
Total energy: -848.655971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -848.655971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -848.655971 (E_RNA)
where:
Base-Base interactions energy: -535.345
where: short stacking energy: -249.819
Base-Backbone interact. energy: 0.637
local terms energy: -313.948882
where:
bonds (distance) C4'-P energy: -57.584
bonds (distance) P-C4' energy: -69.573
flat angles C4'-P-C4' energy: -70.182
flat angles P-C4'-P energy: -40.926
tors. eta vs tors. theta energy: -75.683
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 343
Temperature: 1.050000
Total energy: -780.705277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -780.705277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -780.705277 (E_RNA)
where:
Base-Base interactions energy: -486.142
where: short stacking energy: -230.382
Base-Backbone interact. energy: -0.911
local terms energy: -293.652716
where:
bonds (distance) C4'-P energy: -62.134
bonds (distance) P-C4' energy: -65.866
flat angles C4'-P-C4' energy: -68.512
flat angles P-C4'-P energy: -47.580
tors. eta vs tors. theta energy: -49.560
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: 6
=====================================
Write number: 343
Temperature: 1.100000
Total energy: -696.471864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -696.471864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -696.471864 (E_RNA)
where:
Base-Base interactions energy: -425.370
where: short stacking energy: -220.021
Base-Backbone interact. energy: -1.058
local terms energy: -270.044210
where:
bonds (distance) C4'-P energy: -63.832
bonds (distance) P-C4' energy: -60.220
flat angles C4'-P-C4' energy: -67.267
flat angles P-C4'-P energy: -23.277
tors. eta vs tors. theta energy: -55.448
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: 7
=====================================
Write number: 343
Temperature: 1.150000
Total energy: -564.689015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -564.689015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -564.689015 (E_RNA)
where:
Base-Base interactions energy: -300.282
where: short stacking energy: -148.884
Base-Backbone interact. energy: -1.311
local terms energy: -263.096085
where:
bonds (distance) C4'-P energy: -60.958
bonds (distance) P-C4' energy: -66.935
flat angles C4'-P-C4' energy: -56.566
flat angles P-C4'-P energy: -44.797
tors. eta vs tors. theta energy: -33.840
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 343
Temperature: 1.200000
Total energy: -332.182204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.182204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.182204 (E_RNA)
where:
Base-Base interactions energy: -119.520
where: short stacking energy: -83.804
Base-Backbone interact. energy: -0.744
local terms energy: -211.918748
where:
bonds (distance) C4'-P energy: -52.623
bonds (distance) P-C4' energy: -78.310
flat angles C4'-P-C4' energy: -43.969
flat angles P-C4'-P energy: -28.479
tors. eta vs tors. theta energy: -8.537
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: 10
=====================================
Write number: 343
Temperature: 1.250000
Total energy: -308.370308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.370308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.370308 (E_RNA)
where:
Base-Base interactions energy: -108.206
where: short stacking energy: -70.781
Base-Backbone interact. energy: -2.859
local terms energy: -197.305050
where:
bonds (distance) C4'-P energy: -60.912
bonds (distance) P-C4' energy: -62.019
flat angles C4'-P-C4' energy: -55.681
flat angles P-C4'-P energy: -35.641
tors. eta vs tors. theta energy: 16.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 343
Temperature: 1.300000
Total energy: -311.913597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.913597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.913597 (E_RNA)
where:
Base-Base interactions energy: -111.390
where: short stacking energy: -71.127
Base-Backbone interact. energy: -0.851
local terms energy: -199.672987
where:
bonds (distance) C4'-P energy: -75.037
bonds (distance) P-C4' energy: -62.153
flat angles C4'-P-C4' energy: -50.739
flat angles P-C4'-P energy: -23.269
tors. eta vs tors. theta energy: 11.525
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: 9
=====================================
Write number: 343
Temperature: 1.350000
Total energy: -276.037437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.037437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.037437 (E_RNA)
where:
Base-Base interactions energy: -93.313
where: short stacking energy: -75.188
Base-Backbone interact. energy: -1.198
local terms energy: -181.526187
where:
bonds (distance) C4'-P energy: -59.347
bonds (distance) P-C4' energy: -50.649
flat angles C4'-P-C4' energy: -54.405
flat angles P-C4'-P energy: -25.816
tors. eta vs tors. theta energy: 8.690
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: 4
=====================================
Write number: 344
Temperature: 0.900000
Total energy: -1069.085019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1069.085019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1069.085019 (E_RNA)
where:
Base-Base interactions energy: -707.523
where: short stacking energy: -311.596
Base-Backbone interact. energy: -1.793
local terms energy: -359.768905
where:
bonds (distance) C4'-P energy: -65.276
bonds (distance) P-C4' energy: -66.190
flat angles C4'-P-C4' energy: -79.288
flat angles P-C4'-P energy: -52.755
tors. eta vs tors. theta energy: -96.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 344
Temperature: 0.950000
Total energy: -998.164835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -998.164835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -998.164835 (E_RNA)
where:
Base-Base interactions energy: -661.922
where: short stacking energy: -299.200
Base-Backbone interact. energy: -0.562
local terms energy: -335.680671
where:
bonds (distance) C4'-P energy: -59.341
bonds (distance) P-C4' energy: -65.755
flat angles C4'-P-C4' energy: -77.736
flat angles P-C4'-P energy: -41.641
tors. eta vs tors. theta energy: -91.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 344
Temperature: 1.000000
Total energy: -849.193084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -849.193084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -849.193084 (E_RNA)
where:
Base-Base interactions energy: -536.975
where: short stacking energy: -255.595
Base-Backbone interact. energy: -1.133
local terms energy: -311.085053
where:
bonds (distance) C4'-P energy: -63.014
bonds (distance) P-C4' energy: -65.093
flat angles C4'-P-C4' energy: -65.638
flat angles P-C4'-P energy: -48.768
tors. eta vs tors. theta energy: -68.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 344
Temperature: 1.050000
Total energy: -814.946328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -814.946328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -814.946328 (E_RNA)
where:
Base-Base interactions energy: -514.833
where: short stacking energy: -236.705
Base-Backbone interact. energy: 0.313
local terms energy: -300.426120
where:
bonds (distance) C4'-P energy: -57.673
bonds (distance) P-C4' energy: -65.484
flat angles C4'-P-C4' energy: -70.038
flat angles P-C4'-P energy: -41.508
tors. eta vs tors. theta energy: -65.722
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: 6
=====================================
Write number: 344
Temperature: 1.100000
Total energy: -670.632915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -670.632915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -670.632915 (E_RNA)
where:
Base-Base interactions energy: -395.294
where: short stacking energy: -188.228
Base-Backbone interact. energy: -0.651
local terms energy: -274.687695
where:
bonds (distance) C4'-P energy: -59.538
bonds (distance) P-C4' energy: -62.246
flat angles C4'-P-C4' energy: -67.352
flat angles P-C4'-P energy: -39.008
tors. eta vs tors. theta energy: -46.542
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 344
Temperature: 1.150000
Total energy: -557.830383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -557.830383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -557.830383 (E_RNA)
where:
Base-Base interactions energy: -307.891
where: short stacking energy: -154.715
Base-Backbone interact. energy: -1.774
local terms energy: -248.164902
where:
bonds (distance) C4'-P energy: -63.711
bonds (distance) P-C4' energy: -52.625
flat angles C4'-P-C4' energy: -62.135
flat angles P-C4'-P energy: -35.170
tors. eta vs tors. theta energy: -34.524
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: 7, replica: 10
=====================================
Write number: 344
Temperature: 1.200000
Total energy: -358.073507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.073507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.073507 (E_RNA)
where:
Base-Base interactions energy: -123.520
where: short stacking energy: -102.647
Base-Backbone interact. energy: -2.281
local terms energy: -232.272989
where:
bonds (distance) C4'-P energy: -64.574
bonds (distance) P-C4' energy: -66.163
flat angles C4'-P-C4' energy: -59.644
flat angles P-C4'-P energy: -33.958
tors. eta vs tors. theta energy: -7.933
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 344
Temperature: 1.250000
Total energy: -299.875353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.875353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.875353 (E_RNA)
where:
Base-Base interactions energy: -104.841
where: short stacking energy: -78.247
Base-Backbone interact. energy: 2.890
local terms energy: -197.924005
where:
bonds (distance) C4'-P energy: -68.932
bonds (distance) P-C4' energy: -59.529
flat angles C4'-P-C4' energy: -38.296
flat angles P-C4'-P energy: -33.690
tors. eta vs tors. theta energy: 2.524
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 344
Temperature: 1.300000
Total energy: -299.522700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.522700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.522700 (E_RNA)
where:
Base-Base interactions energy: -80.094
where: short stacking energy: -67.837
Base-Backbone interact. energy: -1.529
local terms energy: -217.900314
where:
bonds (distance) C4'-P energy: -62.803
bonds (distance) P-C4' energy: -70.303
flat angles C4'-P-C4' energy: -48.098
flat angles P-C4'-P energy: -43.546
tors. eta vs tors. theta energy: 6.850
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 344
Temperature: 1.350000
Total energy: -267.946762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.946762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.946762 (E_RNA)
where:
Base-Base interactions energy: -83.725
where: short stacking energy: -64.083
Base-Backbone interact. energy: -3.036
local terms energy: -181.185376
where:
bonds (distance) C4'-P energy: -61.170
bonds (distance) P-C4' energy: -59.794
flat angles C4'-P-C4' energy: -43.457
flat angles P-C4'-P energy: -29.945
tors. eta vs tors. theta energy: 13.181
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: 4
=====================================
Write number: 345
Temperature: 0.900000
Total energy: -1066.849223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1066.849223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1066.849223 (E_RNA)
where:
Base-Base interactions energy: -691.195
where: short stacking energy: -320.602
Base-Backbone interact. energy: -1.800
local terms energy: -373.854480
where:
bonds (distance) C4'-P energy: -79.060
bonds (distance) P-C4' energy: -69.551
flat angles C4'-P-C4' energy: -78.690
flat angles P-C4'-P energy: -44.497
tors. eta vs tors. theta energy: -102.057
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: 1
=====================================
Write number: 345
Temperature: 0.950000
Total energy: -995.678651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -995.678651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -995.678651 (E_RNA)
where:
Base-Base interactions energy: -641.934
where: short stacking energy: -279.373
Base-Backbone interact. energy: -1.353
local terms energy: -352.391036
where:
bonds (distance) C4'-P energy: -66.292
bonds (distance) P-C4' energy: -77.720
flat angles C4'-P-C4' energy: -78.021
flat angles P-C4'-P energy: -45.950
tors. eta vs tors. theta energy: -84.408
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: 5
=====================================
Write number: 345
Temperature: 1.000000
Total energy: -861.508019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -861.508019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -861.508019 (E_RNA)
where:
Base-Base interactions energy: -548.577
where: short stacking energy: -264.045
Base-Backbone interact. energy: 1.519
local terms energy: -314.449286
where:
bonds (distance) C4'-P energy: -62.129
bonds (distance) P-C4' energy: -66.331
flat angles C4'-P-C4' energy: -75.056
flat angles P-C4'-P energy: -44.862
tors. eta vs tors. theta energy: -66.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 345
Temperature: 1.050000
Total energy: -783.395825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -783.395825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -783.395825 (E_RNA)
where:
Base-Base interactions energy: -493.238
where: short stacking energy: -239.480
Base-Backbone interact. energy: -0.703
local terms energy: -289.455256
where:
bonds (distance) C4'-P energy: -65.812
bonds (distance) P-C4' energy: -58.816
flat angles C4'-P-C4' energy: -72.986
flat angles P-C4'-P energy: -34.584
tors. eta vs tors. theta energy: -57.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 345
Temperature: 1.100000
Total energy: -676.164725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -676.164725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -676.164725 (E_RNA)
where:
Base-Base interactions energy: -387.254
where: short stacking energy: -189.062
Base-Backbone interact. energy: 1.613
local terms energy: -290.523718
where:
bonds (distance) C4'-P energy: -70.887
bonds (distance) P-C4' energy: -66.085
flat angles C4'-P-C4' energy: -63.535
flat angles P-C4'-P energy: -42.290
tors. eta vs tors. theta energy: -47.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 345
Temperature: 1.150000
Total energy: -482.138139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.138139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -482.138139 (E_RNA)
where:
Base-Base interactions energy: -228.361
where: short stacking energy: -133.603
Base-Backbone interact. energy: -0.513
local terms energy: -253.264427
where:
bonds (distance) C4'-P energy: -52.178
bonds (distance) P-C4' energy: -63.141
flat angles C4'-P-C4' energy: -64.222
flat angles P-C4'-P energy: -42.133
tors. eta vs tors. theta energy: -31.591
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: 7, replica: 10
=====================================
Write number: 345
Temperature: 1.200000
Total energy: -357.209135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.209135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.209135 (E_RNA)
where:
Base-Base interactions energy: -143.118
where: short stacking energy: -124.484
Base-Backbone interact. energy: -1.164
local terms energy: -212.927793
where:
bonds (distance) C4'-P energy: -69.043
bonds (distance) P-C4' energy: -45.670
flat angles C4'-P-C4' energy: -55.123
flat angles P-C4'-P energy: -29.828
tors. eta vs tors. theta energy: -13.264
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: 8, replica: 9
=====================================
Write number: 345
Temperature: 1.250000
Total energy: -331.340434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.340434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.340434 (E_RNA)
where:
Base-Base interactions energy: -111.603
where: short stacking energy: -90.818
Base-Backbone interact. energy: -0.869
local terms energy: -218.868235
where:
bonds (distance) C4'-P energy: -62.677
bonds (distance) P-C4' energy: -63.322
flat angles C4'-P-C4' energy: -60.549
flat angles P-C4'-P energy: -29.775
tors. eta vs tors. theta energy: -2.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 345
Temperature: 1.300000
Total energy: -306.954012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.954012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.954012 (E_RNA)
where:
Base-Base interactions energy: -100.904
where: short stacking energy: -74.950
Base-Backbone interact. energy: -0.779
local terms energy: -205.271559
where:
bonds (distance) C4'-P energy: -58.830
bonds (distance) P-C4' energy: -66.798
flat angles C4'-P-C4' energy: -52.187
flat angles P-C4'-P energy: -44.762
tors. eta vs tors. theta energy: 17.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 345
Temperature: 1.350000
Total energy: -283.811300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.811300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.811300 (E_RNA)
where:
Base-Base interactions energy: -95.435
where: short stacking energy: -80.990
Base-Backbone interact. energy: -0.888
local terms energy: -187.488319
where:
bonds (distance) C4'-P energy: -43.943
bonds (distance) P-C4' energy: -71.253
flat angles C4'-P-C4' energy: -38.111
flat angles P-C4'-P energy: -31.331
tors. eta vs tors. theta energy: -2.850
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 346
Temperature: 0.900000
Total energy: -1069.958157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1069.958157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1069.958157 (E_RNA)
where:
Base-Base interactions energy: -696.149
where: short stacking energy: -332.149
Base-Backbone interact. energy: -0.611
local terms energy: -373.198725
where:
bonds (distance) C4'-P energy: -80.990
bonds (distance) P-C4' energy: -67.912
flat angles C4'-P-C4' energy: -72.402
flat angles P-C4'-P energy: -51.652
tors. eta vs tors. theta energy: -100.243
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 346
Temperature: 0.950000
Total energy: -1017.654226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1017.654226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1017.654226 (E_RNA)
where:
Base-Base interactions energy: -663.245
where: short stacking energy: -308.955
Base-Backbone interact. energy: -1.402
local terms energy: -353.006956
where:
bonds (distance) C4'-P energy: -71.034
bonds (distance) P-C4' energy: -53.193
flat angles C4'-P-C4' energy: -83.115
flat angles P-C4'-P energy: -52.145
tors. eta vs tors. theta energy: -93.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 346
Temperature: 1.000000
Total energy: -865.696682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -865.696682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -865.696682 (E_RNA)
where:
Base-Base interactions energy: -536.271
where: short stacking energy: -277.641
Base-Backbone interact. energy: -0.575
local terms energy: -328.850866
where:
bonds (distance) C4'-P energy: -60.373
bonds (distance) P-C4' energy: -65.876
flat angles C4'-P-C4' energy: -68.641
flat angles P-C4'-P energy: -47.793
tors. eta vs tors. theta energy: -86.168
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: 3
=====================================
Write number: 346
Temperature: 1.050000
Total energy: -751.407943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -751.407943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -751.407943 (E_RNA)
where:
Base-Base interactions energy: -459.537
where: short stacking energy: -205.483
Base-Backbone interact. energy: -0.048
local terms energy: -291.823019
where:
bonds (distance) C4'-P energy: -55.763
bonds (distance) P-C4' energy: -70.798
flat angles C4'-P-C4' energy: -63.519
flat angles P-C4'-P energy: -44.615
tors. eta vs tors. theta energy: -57.128
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 346
Temperature: 1.100000
Total energy: -663.202169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -663.202169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -663.202169 (E_RNA)
where:
Base-Base interactions energy: -374.265
where: short stacking energy: -198.491
Base-Backbone interact. energy: -2.321
local terms energy: -286.615957
where:
bonds (distance) C4'-P energy: -73.177
bonds (distance) P-C4' energy: -63.943
flat angles C4'-P-C4' energy: -61.133
flat angles P-C4'-P energy: -42.639
tors. eta vs tors. theta energy: -45.725
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 346
Temperature: 1.150000
Total energy: -418.867101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.867101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.867101 (E_RNA)
where:
Base-Base interactions energy: -185.298
where: short stacking energy: -128.446
Base-Backbone interact. energy: -0.469
local terms energy: -233.100415
where:
bonds (distance) C4'-P energy: -58.541
bonds (distance) P-C4' energy: -57.511
flat angles C4'-P-C4' energy: -63.099
flat angles P-C4'-P energy: -39.970
tors. eta vs tors. theta energy: -13.979
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 346
Temperature: 1.200000
Total energy: -388.417931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -388.417931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -388.417931 (E_RNA)
where:
Base-Base interactions energy: -166.424
where: short stacking energy: -100.032
Base-Backbone interact. energy: -0.968
local terms energy: -221.025781
where:
bonds (distance) C4'-P energy: -48.276
bonds (distance) P-C4' energy: -69.830
flat angles C4'-P-C4' energy: -57.099
flat angles P-C4'-P energy: -40.333
tors. eta vs tors. theta energy: -5.488
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 346
Temperature: 1.250000
Total energy: -308.843993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.843993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.843993 (E_RNA)
where:
Base-Base interactions energy: -115.269
where: short stacking energy: -85.528
Base-Backbone interact. energy: 0.674
local terms energy: -194.248907
where:
bonds (distance) C4'-P energy: -56.570
bonds (distance) P-C4' energy: -58.592
flat angles C4'-P-C4' energy: -56.525
flat angles P-C4'-P energy: -34.350
tors. eta vs tors. theta energy: 11.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 346
Temperature: 1.300000
Total energy: -275.238410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.238410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.238410 (E_RNA)
where:
Base-Base interactions energy: -84.276
where: short stacking energy: -74.316
Base-Backbone interact. energy: 0.425
local terms energy: -191.387871
where:
bonds (distance) C4'-P energy: -51.059
bonds (distance) P-C4' energy: -62.352
flat angles C4'-P-C4' energy: -47.328
flat angles P-C4'-P energy: -40.518
tors. eta vs tors. theta energy: 9.869
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: 8
=====================================
Write number: 346
Temperature: 1.350000
Total energy: -266.383047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.383047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.383047 (E_RNA)
where:
Base-Base interactions energy: -85.462
where: short stacking energy: -68.618
Base-Backbone interact. energy: 2.575
local terms energy: -183.495760
where:
bonds (distance) C4'-P energy: -49.633
bonds (distance) P-C4' energy: -67.915
flat angles C4'-P-C4' energy: -56.811
flat angles P-C4'-P energy: -14.365
tors. eta vs tors. theta energy: 5.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 347
Temperature: 0.900000
Total energy: -1083.208928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1083.208928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1083.208928 (E_RNA)
where:
Base-Base interactions energy: -700.247
where: short stacking energy: -337.828
Base-Backbone interact. energy: -0.483
local terms energy: -382.479320
where:
bonds (distance) C4'-P energy: -68.603
bonds (distance) P-C4' energy: -71.081
flat angles C4'-P-C4' energy: -80.949
flat angles P-C4'-P energy: -51.269
tors. eta vs tors. theta energy: -110.577
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 347
Temperature: 0.950000
Total energy: -998.099942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -998.099942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -998.099942 (E_RNA)
where:
Base-Base interactions energy: -656.380
where: short stacking energy: -289.047
Base-Backbone interact. energy: -1.870
local terms energy: -339.850033
where:
bonds (distance) C4'-P energy: -65.725
bonds (distance) P-C4' energy: -69.304
flat angles C4'-P-C4' energy: -71.932
flat angles P-C4'-P energy: -47.092
tors. eta vs tors. theta energy: -85.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 347
Temperature: 1.000000
Total energy: -898.408400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -898.408400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -898.408400 (E_RNA)
where:
Base-Base interactions energy: -564.024
where: short stacking energy: -284.218
Base-Backbone interact. energy: 0.591
local terms energy: -334.975295
where:
bonds (distance) C4'-P energy: -77.427
bonds (distance) P-C4' energy: -65.782
flat angles C4'-P-C4' energy: -65.348
flat angles P-C4'-P energy: -44.150
tors. eta vs tors. theta energy: -82.267
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 347
Temperature: 1.050000
Total energy: -782.049538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -782.049538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -782.049538 (E_RNA)
where:
Base-Base interactions energy: -495.045
where: short stacking energy: -213.446
Base-Backbone interact. energy: -0.329
local terms energy: -286.674957
where:
bonds (distance) C4'-P energy: -51.865
bonds (distance) P-C4' energy: -67.703
flat angles C4'-P-C4' energy: -61.166
flat angles P-C4'-P energy: -44.376
tors. eta vs tors. theta energy: -61.566
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 347
Temperature: 1.100000
Total energy: -664.737822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -664.737822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -664.737822 (E_RNA)
where:
Base-Base interactions energy: -390.016
where: short stacking energy: -196.889
Base-Backbone interact. energy: -2.152
local terms energy: -272.570114
where:
bonds (distance) C4'-P energy: -61.765
bonds (distance) P-C4' energy: -61.289
flat angles C4'-P-C4' energy: -61.564
flat angles P-C4'-P energy: -36.876
tors. eta vs tors. theta energy: -51.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 347
Temperature: 1.150000
Total energy: -486.368240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -486.368240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -486.368240 (E_RNA)
where:
Base-Base interactions energy: -249.373
where: short stacking energy: -146.421
Base-Backbone interact. energy: 0.977
local terms energy: -237.972279
where:
bonds (distance) C4'-P energy: -50.294
bonds (distance) P-C4' energy: -71.725
flat angles C4'-P-C4' energy: -57.216
flat angles P-C4'-P energy: -41.343
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: 7, replica: 9
=====================================
Write number: 347
Temperature: 1.200000
Total energy: -337.604219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.604219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.604219 (E_RNA)
where:
Base-Base interactions energy: -126.283
where: short stacking energy: -104.326
Base-Backbone interact. energy: -1.066
local terms energy: -210.255568
where:
bonds (distance) C4'-P energy: -55.414
bonds (distance) P-C4' energy: -53.196
flat angles C4'-P-C4' energy: -59.308
flat angles P-C4'-P energy: -38.883
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: 8, replica: 2
=====================================
Write number: 347
Temperature: 1.250000
Total energy: -308.490411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.490411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.490411 (E_RNA)
where:
Base-Base interactions energy: -93.953
where: short stacking energy: -83.453
Base-Backbone interact. energy: -0.261
local terms energy: -214.276192
where:
bonds (distance) C4'-P energy: -58.185
bonds (distance) P-C4' energy: -62.807
flat angles C4'-P-C4' energy: -53.394
flat angles P-C4'-P energy: -40.255
tors. eta vs tors. theta energy: 0.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 347
Temperature: 1.300000
Total energy: -295.799708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.799708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.799708 (E_RNA)
where:
Base-Base interactions energy: -108.394
where: short stacking energy: -77.603
Base-Backbone interact. energy: -0.018
local terms energy: -187.387848
where:
bonds (distance) C4'-P energy: -56.625
bonds (distance) P-C4' energy: -60.637
flat angles C4'-P-C4' energy: -52.270
flat angles P-C4'-P energy: -24.421
tors. eta vs tors. theta energy: 6.565
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 347
Temperature: 1.350000
Total energy: -273.035874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.035874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.035874 (E_RNA)
where:
Base-Base interactions energy: -70.001
where: short stacking energy: -62.834
Base-Backbone interact. energy: 1.460
local terms energy: -204.495088
where:
bonds (distance) C4'-P energy: -59.611
bonds (distance) P-C4' energy: -49.929
flat angles C4'-P-C4' energy: -51.407
flat angles P-C4'-P energy: -45.817
tors. eta vs tors. theta energy: 2.269
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: 4
=====================================
Write number: 348
Temperature: 0.900000
Total energy: -1089.597255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1089.597255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1089.597255 (E_RNA)
where:
Base-Base interactions energy: -719.862
where: short stacking energy: -326.817
Base-Backbone interact. energy: -0.465
local terms energy: -369.269820
where:
bonds (distance) C4'-P energy: -67.264
bonds (distance) P-C4' energy: -69.839
flat angles C4'-P-C4' energy: -78.159
flat angles P-C4'-P energy: -51.247
tors. eta vs tors. theta energy: -102.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 348
Temperature: 0.950000
Total energy: -1018.753200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1018.753200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1018.753200 (E_RNA)
where:
Base-Base interactions energy: -670.641
where: short stacking energy: -288.395
Base-Backbone interact. energy: 0.622
local terms energy: -348.734214
where:
bonds (distance) C4'-P energy: -56.135
bonds (distance) P-C4' energy: -71.923
flat angles C4'-P-C4' energy: -79.913
flat angles P-C4'-P energy: -50.014
tors. eta vs tors. theta energy: -90.750
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 348
Temperature: 1.000000
Total energy: -914.456847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -914.456847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -914.456847 (E_RNA)
where:
Base-Base interactions energy: -582.215
where: short stacking energy: -269.100
Base-Backbone interact. energy: 2.351
local terms energy: -334.592218
where:
bonds (distance) C4'-P energy: -60.693
bonds (distance) P-C4' energy: -66.427
flat angles C4'-P-C4' energy: -69.764
flat angles P-C4'-P energy: -55.769
tors. eta vs tors. theta energy: -81.939
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 348
Temperature: 1.050000
Total energy: -861.762171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -861.762171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -861.762171 (E_RNA)
where:
Base-Base interactions energy: -544.482
where: short stacking energy: -261.544
Base-Backbone interact. energy: -1.874
local terms energy: -315.406409
where:
bonds (distance) C4'-P energy: -62.838
bonds (distance) P-C4' energy: -67.560
flat angles C4'-P-C4' energy: -70.306
flat angles P-C4'-P energy: -31.912
tors. eta vs tors. theta energy: -82.790
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 348
Temperature: 1.100000
Total energy: -668.097728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -668.097728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -668.097728 (E_RNA)
where:
Base-Base interactions energy: -380.661
where: short stacking energy: -201.457
Base-Backbone interact. energy: -1.729
local terms energy: -285.708031
where:
bonds (distance) C4'-P energy: -53.333
bonds (distance) P-C4' energy: -54.119
flat angles C4'-P-C4' energy: -71.234
flat angles P-C4'-P energy: -51.216
tors. eta vs tors. theta energy: -55.806
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: 7
=====================================
Write number: 348
Temperature: 1.150000
Total energy: -478.274205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.274205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -478.274205 (E_RNA)
where:
Base-Base interactions energy: -240.985
where: short stacking energy: -124.310
Base-Backbone interact. energy: -0.248
local terms energy: -237.041373
where:
bonds (distance) C4'-P energy: -67.351
bonds (distance) P-C4' energy: -68.026
flat angles C4'-P-C4' energy: -53.535
flat angles P-C4'-P energy: -34.136
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: 7, replica: 9
=====================================
Write number: 348
Temperature: 1.200000
Total energy: -337.058884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.058884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.058884 (E_RNA)
where:
Base-Base interactions energy: -124.889
where: short stacking energy: -85.951
Base-Backbone interact. energy: 0.359
local terms energy: -212.528892
where:
bonds (distance) C4'-P energy: -56.757
bonds (distance) P-C4' energy: -65.542
flat angles C4'-P-C4' energy: -58.965
flat angles P-C4'-P energy: -44.489
tors. eta vs tors. theta energy: 13.224
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: 8, replica: 2
=====================================
Write number: 348
Temperature: 1.250000
Total energy: -327.892786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.892786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.892786 (E_RNA)
where:
Base-Base interactions energy: -103.590
where: short stacking energy: -90.516
Base-Backbone interact. energy: -2.035
local terms energy: -222.268178
where:
bonds (distance) C4'-P energy: -55.279
bonds (distance) P-C4' energy: -64.010
flat angles C4'-P-C4' energy: -57.430
flat angles P-C4'-P energy: -38.057
tors. eta vs tors. theta energy: -7.493
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: 10
=====================================
Write number: 348
Temperature: 1.300000
Total energy: -289.079694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.079694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.079694 (E_RNA)
where:
Base-Base interactions energy: -91.486
where: short stacking energy: -83.538
Base-Backbone interact. energy: 0.742
local terms energy: -198.336423
where:
bonds (distance) C4'-P energy: -68.812
bonds (distance) P-C4' energy: -58.393
flat angles C4'-P-C4' energy: -47.497
flat angles P-C4'-P energy: -26.492
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: 8
=====================================
Write number: 348
Temperature: 1.350000
Total energy: -268.809443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.809443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.809443 (E_RNA)
where:
Base-Base interactions energy: -85.022
where: short stacking energy: -64.129
Base-Backbone interact. energy: -2.967
local terms energy: -180.820232
where:
bonds (distance) C4'-P energy: -57.344
bonds (distance) P-C4' energy: -54.571
flat angles C4'-P-C4' energy: -55.430
flat angles P-C4'-P energy: -31.406
tors. eta vs tors. theta energy: 17.931
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: 4
=====================================
Write number: 349
Temperature: 0.900000
Total energy: -1082.651823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1082.651823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1082.651823 (E_RNA)
where:
Base-Base interactions energy: -711.639
where: short stacking energy: -317.725
Base-Backbone interact. energy: -1.331
local terms energy: -369.681300
where:
bonds (distance) C4'-P energy: -73.984
bonds (distance) P-C4' energy: -70.382
flat angles C4'-P-C4' energy: -72.724
flat angles P-C4'-P energy: -42.239
tors. eta vs tors. theta energy: -110.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 349
Temperature: 0.950000
Total energy: -1045.187972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1045.187972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1045.187972 (E_RNA)
where:
Base-Base interactions energy: -689.542
where: short stacking energy: -318.703
Base-Backbone interact. energy: -0.027
local terms energy: -355.618364
where:
bonds (distance) C4'-P energy: -73.158
bonds (distance) P-C4' energy: -72.232
flat angles C4'-P-C4' energy: -69.439
flat angles P-C4'-P energy: -37.713
tors. eta vs tors. theta energy: -103.076
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: 5
=====================================
Write number: 349
Temperature: 1.000000
Total energy: -943.492102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -943.492102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -943.492102 (E_RNA)
where:
Base-Base interactions energy: -590.951
where: short stacking energy: -281.467
Base-Backbone interact. energy: -1.807
local terms energy: -350.734054
where:
bonds (distance) C4'-P energy: -64.554
bonds (distance) P-C4' energy: -67.541
flat angles C4'-P-C4' energy: -71.688
flat angles P-C4'-P energy: -48.141
tors. eta vs tors. theta energy: -98.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 349
Temperature: 1.050000
Total energy: -837.126073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -837.126073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -837.126073 (E_RNA)
where:
Base-Base interactions energy: -544.474
where: short stacking energy: -220.641
Base-Backbone interact. energy: -1.043
local terms energy: -291.609391
where:
bonds (distance) C4'-P energy: -62.820
bonds (distance) P-C4' energy: -61.878
flat angles C4'-P-C4' energy: -57.515
flat angles P-C4'-P energy: -44.048
tors. eta vs tors. theta energy: -65.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 349
Temperature: 1.100000
Total energy: -721.620101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -721.620101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -721.620101 (E_RNA)
where:
Base-Base interactions energy: -428.941
where: short stacking energy: -225.824
Base-Backbone interact. energy: -0.543
local terms energy: -292.135759
where:
bonds (distance) C4'-P energy: -57.688
bonds (distance) P-C4' energy: -65.158
flat angles C4'-P-C4' energy: -63.983
flat angles P-C4'-P energy: -39.927
tors. eta vs tors. theta energy: -65.379
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 349
Temperature: 1.150000
Total energy: -489.312504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -489.312504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -489.312504 (E_RNA)
where:
Base-Base interactions energy: -259.067
where: short stacking energy: -119.102
Base-Backbone interact. energy: -1.740
local terms energy: -228.505323
where:
bonds (distance) C4'-P energy: -56.538
bonds (distance) P-C4' energy: -64.234
flat angles C4'-P-C4' energy: -51.538
flat angles P-C4'-P energy: -44.699
tors. eta vs tors. theta energy: -11.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 349
Temperature: 1.200000
Total energy: -347.756072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.756072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.756072 (E_RNA)
where:
Base-Base interactions energy: -137.114
where: short stacking energy: -105.013
Base-Backbone interact. energy: -1.604
local terms energy: -209.038146
where:
bonds (distance) C4'-P energy: -58.689
bonds (distance) P-C4' energy: -55.045
flat angles C4'-P-C4' energy: -57.699
flat angles P-C4'-P energy: -39.041
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: 8, replica: 2
=====================================
Write number: 349
Temperature: 1.250000
Total energy: -319.369170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.369170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.369170 (E_RNA)
where:
Base-Base interactions energy: -126.232
where: short stacking energy: -104.755
Base-Backbone interact. energy: -1.321
local terms energy: -191.816920
where:
bonds (distance) C4'-P energy: -55.723
bonds (distance) P-C4' energy: -53.179
flat angles C4'-P-C4' energy: -52.636
flat angles P-C4'-P energy: -38.010
tors. eta vs tors. theta energy: 7.731
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: 10
=====================================
Write number: 349
Temperature: 1.300000
Total energy: -294.013403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.013403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.013403 (E_RNA)
where:
Base-Base interactions energy: -109.865
where: short stacking energy: -95.608
Base-Backbone interact. energy: -0.822
local terms energy: -183.325729
where:
bonds (distance) C4'-P energy: -53.705
bonds (distance) P-C4' energy: -54.018
flat angles C4'-P-C4' energy: -45.606
flat angles P-C4'-P energy: -27.084
tors. eta vs tors. theta energy: -2.913
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 349
Temperature: 1.350000
Total energy: -257.315713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.315713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.315713 (E_RNA)
where:
Base-Base interactions energy: -77.611
where: short stacking energy: -71.116
Base-Backbone interact. energy: -0.879
local terms energy: -178.824991
where:
bonds (distance) C4'-P energy: -50.237
bonds (distance) P-C4' energy: -53.613
flat angles C4'-P-C4' energy: -52.831
flat angles P-C4'-P energy: -28.949
tors. eta vs tors. theta energy: 6.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 350
Temperature: 0.900000
Total energy: -1103.853641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1103.853641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1103.853641 (E_RNA)
where:
Base-Base interactions energy: -737.305
where: short stacking energy: -339.009
Base-Backbone interact. energy: 0.181
local terms energy: -366.730243
where:
bonds (distance) C4'-P energy: -64.447
bonds (distance) P-C4' energy: -67.479
flat angles C4'-P-C4' energy: -78.235
flat angles P-C4'-P energy: -43.757
tors. eta vs tors. theta energy: -112.812
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 350
Temperature: 0.950000
Total energy: -1033.781866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1033.781866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1033.781866 (E_RNA)
where:
Base-Base interactions energy: -705.080
where: short stacking energy: -323.914
Base-Backbone interact. energy: -1.468
local terms energy: -327.233619
where:
bonds (distance) C4'-P energy: -65.765
bonds (distance) P-C4' energy: -52.676
flat angles C4'-P-C4' energy: -72.562
flat angles P-C4'-P energy: -41.652
tors. eta vs tors. theta energy: -94.578
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 350
Temperature: 1.000000
Total energy: -906.146238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -906.146238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -906.146238 (E_RNA)
where:
Base-Base interactions energy: -580.719
where: short stacking energy: -272.665
Base-Backbone interact. energy: 1.961
local terms energy: -327.387742
where:
bonds (distance) C4'-P energy: -58.428
bonds (distance) P-C4' energy: -68.316
flat angles C4'-P-C4' energy: -66.450
flat angles P-C4'-P energy: -42.074
tors. eta vs tors. theta energy: -92.120
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: 4, replica: 3
=====================================
Write number: 350
Temperature: 1.050000
Total energy: -837.672240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -837.672240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -837.672240 (E_RNA)
where:
Base-Base interactions energy: -538.749
where: short stacking energy: -263.282
Base-Backbone interact. energy: -0.322
local terms energy: -298.601602
where:
bonds (distance) C4'-P energy: -61.237
bonds (distance) P-C4' energy: -58.326
flat angles C4'-P-C4' energy: -71.551
flat angles P-C4'-P energy: -37.165
tors. eta vs tors. theta energy: -70.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 350
Temperature: 1.100000
Total energy: -695.713406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -695.713406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -695.713406 (E_RNA)
where:
Base-Base interactions energy: -410.909
where: short stacking energy: -199.824
Base-Backbone interact. energy: -1.377
local terms energy: -283.426774
where:
bonds (distance) C4'-P energy: -55.690
bonds (distance) P-C4' energy: -64.418
flat angles C4'-P-C4' energy: -68.537
flat angles P-C4'-P energy: -42.590
tors. eta vs tors. theta energy: -52.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 350
Temperature: 1.150000
Total energy: -462.050675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.050675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -462.050675 (E_RNA)
where:
Base-Base interactions energy: -236.321
where: short stacking energy: -142.989
Base-Backbone interact. energy: -1.524
local terms energy: -224.206216
where:
bonds (distance) C4'-P energy: -65.010
bonds (distance) P-C4' energy: -59.460
flat angles C4'-P-C4' energy: -53.091
flat angles P-C4'-P energy: -27.929
tors. eta vs tors. theta energy: -18.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 350
Temperature: 1.200000
Total energy: -351.328056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.328056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.328056 (E_RNA)
where:
Base-Base interactions energy: -138.412
where: short stacking energy: -108.552
Base-Backbone interact. energy: 1.813
local terms energy: -214.728794
where:
bonds (distance) C4'-P energy: -55.157
bonds (distance) P-C4' energy: -61.994
flat angles C4'-P-C4' energy: -53.811
flat angles P-C4'-P energy: -41.350
tors. eta vs tors. theta energy: -2.416
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 350
Temperature: 1.250000
Total energy: -325.403649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.403649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.403649 (E_RNA)
where:
Base-Base interactions energy: -128.759
where: short stacking energy: -98.968
Base-Backbone interact. energy: 1.531
local terms energy: -198.176231
where:
bonds (distance) C4'-P energy: -61.757
bonds (distance) P-C4' energy: -71.072
flat angles C4'-P-C4' energy: -36.985
flat angles P-C4'-P energy: -32.489
tors. eta vs tors. theta energy: 4.127
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 350
Temperature: 1.300000
Total energy: -288.214180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.214180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.214180 (E_RNA)
where:
Base-Base interactions energy: -97.786
where: short stacking energy: -86.479
Base-Backbone interact. energy: 1.722
local terms energy: -192.151078
where:
bonds (distance) C4'-P energy: -59.454
bonds (distance) P-C4' energy: -72.181
flat angles C4'-P-C4' energy: -38.381
flat angles P-C4'-P energy: -33.614
tors. eta vs tors. theta energy: 11.478
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 350
Temperature: 1.350000
Total energy: -264.129347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.129347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.129347 (E_RNA)
where:
Base-Base interactions energy: -90.766
where: short stacking energy: -81.697
Base-Backbone interact. energy: -1.509
local terms energy: -171.854554
where:
bonds (distance) C4'-P energy: -35.539
bonds (distance) P-C4' energy: -69.283
flat angles C4'-P-C4' energy: -56.432
flat angles P-C4'-P energy: -19.857
tors. eta vs tors. theta energy: 9.257
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 351
Temperature: 0.900000
Total energy: -1135.786278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1135.786278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1135.786278 (E_RNA)
where:
Base-Base interactions energy: -747.711
where: short stacking energy: -351.844
Base-Backbone interact. energy: 0.587
local terms energy: -388.662127
where:
bonds (distance) C4'-P energy: -68.110
bonds (distance) P-C4' energy: -71.656
flat angles C4'-P-C4' energy: -83.076
flat angles P-C4'-P energy: -46.632
tors. eta vs tors. theta energy: -119.188
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: 2, replica: 1
=====================================
Write number: 351
Temperature: 0.950000
Total energy: -1022.902903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1022.902903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1022.902903 (E_RNA)
where:
Base-Base interactions energy: -682.854
where: short stacking energy: -287.087
Base-Backbone interact. energy: 0.066
local terms energy: -340.115599
where:
bonds (distance) C4'-P energy: -57.152
bonds (distance) P-C4' energy: -69.652
flat angles C4'-P-C4' energy: -76.826
flat angles P-C4'-P energy: -44.410
tors. eta vs tors. theta energy: -92.075
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: 5
=====================================
Write number: 351
Temperature: 1.000000
Total energy: -902.474707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -902.474707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -902.474707 (E_RNA)
where:
Base-Base interactions energy: -566.316
where: short stacking energy: -283.099
Base-Backbone interact. energy: -1.549
local terms energy: -334.609781
where:
bonds (distance) C4'-P energy: -62.424
bonds (distance) P-C4' energy: -60.919
flat angles C4'-P-C4' energy: -77.961
flat angles P-C4'-P energy: -44.785
tors. eta vs tors. theta energy: -88.520
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: 3
=====================================
Write number: 351
Temperature: 1.050000
Total energy: -853.164187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -853.164187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -853.164187 (E_RNA)
where:
Base-Base interactions energy: -526.459
where: short stacking energy: -263.250
Base-Backbone interact. energy: -1.079
local terms energy: -325.626695
where:
bonds (distance) C4'-P energy: -73.886
bonds (distance) P-C4' energy: -78.130
flat angles C4'-P-C4' energy: -63.087
flat angles P-C4'-P energy: -36.281
tors. eta vs tors. theta energy: -74.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 351
Temperature: 1.100000
Total energy: -706.926139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -706.926139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -706.926139 (E_RNA)
where:
Base-Base interactions energy: -435.767
where: short stacking energy: -205.826
Base-Backbone interact. energy: 2.318
local terms energy: -273.476982
where:
bonds (distance) C4'-P energy: -57.347
bonds (distance) P-C4' energy: -68.559
flat angles C4'-P-C4' energy: -65.742
flat angles P-C4'-P energy: -35.775
tors. eta vs tors. theta energy: -46.054
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: 7
=====================================
Write number: 351
Temperature: 1.150000
Total energy: -457.451271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -457.451271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -457.451271 (E_RNA)
where:
Base-Base interactions energy: -209.591
where: short stacking energy: -121.770
Base-Backbone interact. energy: -3.072
local terms energy: -244.787801
where:
bonds (distance) C4'-P energy: -71.288
bonds (distance) P-C4' energy: -69.436
flat angles C4'-P-C4' energy: -56.718
flat angles P-C4'-P energy: -30.652
tors. eta vs tors. theta energy: -16.695
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: 9
=====================================
Write number: 351
Temperature: 1.200000
Total energy: -339.801607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.801607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.801607 (E_RNA)
where:
Base-Base interactions energy: -115.605
where: short stacking energy: -86.102
Base-Backbone interact. energy: -2.072
local terms energy: -222.124730
where:
bonds (distance) C4'-P energy: -61.718
bonds (distance) P-C4' energy: -67.054
flat angles C4'-P-C4' energy: -51.921
flat angles P-C4'-P energy: -39.336
tors. eta vs tors. theta energy: -2.096
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: 2
=====================================
Write number: 351
Temperature: 1.250000
Total energy: -353.392587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.392587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.392587 (E_RNA)
where:
Base-Base interactions energy: -147.094
where: short stacking energy: -121.412
Base-Backbone interact. energy: 1.623
local terms energy: -207.921204
where:
bonds (distance) C4'-P energy: -61.528
bonds (distance) P-C4' energy: -61.646
flat angles C4'-P-C4' energy: -58.631
flat angles P-C4'-P energy: -23.384
tors. eta vs tors. theta energy: -2.732
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 351
Temperature: 1.300000
Total energy: -303.286197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.286197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.286197 (E_RNA)
where:
Base-Base interactions energy: -107.230
where: short stacking energy: -72.824
Base-Backbone interact. energy: -0.554
local terms energy: -195.502331
where:
bonds (distance) C4'-P energy: -50.232
bonds (distance) P-C4' energy: -58.344
flat angles C4'-P-C4' energy: -61.135
flat angles P-C4'-P energy: -36.287
tors. eta vs tors. theta energy: 10.495
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 351
Temperature: 1.350000
Total energy: -253.280727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.280727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.280727 (E_RNA)
where:
Base-Base interactions energy: -90.857
where: short stacking energy: -63.118
Base-Backbone interact. energy: 2.002
local terms energy: -164.424985
where:
bonds (distance) C4'-P energy: -58.856
bonds (distance) P-C4' energy: -55.428
flat angles C4'-P-C4' energy: -51.773
flat angles P-C4'-P energy: -22.600
tors. eta vs tors. theta energy: 24.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 352
Temperature: 0.900000
Total energy: -1144.602661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1144.602661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1144.602661 (E_RNA)
where:
Base-Base interactions energy: -758.996
where: short stacking energy: -336.693
Base-Backbone interact. energy: -0.048
local terms energy: -385.558300
where:
bonds (distance) C4'-P energy: -66.426
bonds (distance) P-C4' energy: -73.255
flat angles C4'-P-C4' energy: -86.540
flat angles P-C4'-P energy: -48.070
tors. eta vs tors. theta energy: -111.267
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 352
Temperature: 0.950000
Total energy: -1031.099694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1031.099694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1031.099694 (E_RNA)
where:
Base-Base interactions energy: -694.532
where: short stacking energy: -289.162
Base-Backbone interact. energy: -2.137
local terms energy: -334.431028
where:
bonds (distance) C4'-P energy: -69.114
bonds (distance) P-C4' energy: -60.369
flat angles C4'-P-C4' energy: -68.896
flat angles P-C4'-P energy: -46.962
tors. eta vs tors. theta energy: -89.090
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 352
Temperature: 1.000000
Total energy: -899.397156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -899.397156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -899.397156 (E_RNA)
where:
Base-Base interactions energy: -567.627
where: short stacking energy: -260.239
Base-Backbone interact. energy: -1.506
local terms energy: -330.263909
where:
bonds (distance) C4'-P energy: -68.300
bonds (distance) P-C4' energy: -63.986
flat angles C4'-P-C4' energy: -70.132
flat angles P-C4'-P energy: -46.837
tors. eta vs tors. theta energy: -81.009
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: 352
Temperature: 1.050000
Total energy: -880.715642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -880.715642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -880.715642 (E_RNA)
where:
Base-Base interactions energy: -562.842
where: short stacking energy: -233.762
Base-Backbone interact. energy: -0.349
local terms energy: -317.524641
where:
bonds (distance) C4'-P energy: -66.128
bonds (distance) P-C4' energy: -63.033
flat angles C4'-P-C4' energy: -59.863
flat angles P-C4'-P energy: -43.642
tors. eta vs tors. theta energy: -84.859
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 352
Temperature: 1.100000
Total energy: -701.515936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -701.515936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -701.515936 (E_RNA)
where:
Base-Base interactions energy: -407.366
where: short stacking energy: -216.681
Base-Backbone interact. energy: -0.657
local terms energy: -293.492917
where:
bonds (distance) C4'-P energy: -48.635
bonds (distance) P-C4' energy: -64.769
flat angles C4'-P-C4' energy: -64.760
flat angles P-C4'-P energy: -45.098
tors. eta vs tors. theta energy: -70.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 352
Temperature: 1.150000
Total energy: -451.283774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -451.283774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -451.283774 (E_RNA)
where:
Base-Base interactions energy: -227.855
where: short stacking energy: -123.323
Base-Backbone interact. energy: -0.071
local terms energy: -223.357301
where:
bonds (distance) C4'-P energy: -61.974
bonds (distance) P-C4' energy: -65.236
flat angles C4'-P-C4' energy: -62.099
flat angles P-C4'-P energy: -25.194
tors. eta vs tors. theta energy: -8.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 352
Temperature: 1.200000
Total energy: -367.387294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.387294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.387294 (E_RNA)
where:
Base-Base interactions energy: -133.030
where: short stacking energy: -99.679
Base-Backbone interact. energy: -1.323
local terms energy: -233.034979
where:
bonds (distance) C4'-P energy: -74.353
bonds (distance) P-C4' energy: -63.920
flat angles C4'-P-C4' energy: -50.812
flat angles P-C4'-P energy: -34.824
tors. eta vs tors. theta energy: -9.126
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 352
Temperature: 1.250000
Total energy: -316.602777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.602777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.602777 (E_RNA)
where:
Base-Base interactions energy: -108.760
where: short stacking energy: -82.102
Base-Backbone interact. energy: -1.024
local terms energy: -206.818542
where:
bonds (distance) C4'-P energy: -65.175
bonds (distance) P-C4' energy: -59.514
flat angles C4'-P-C4' energy: -51.218
flat angles P-C4'-P energy: -29.735
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: 9, replica: 10
=====================================
Write number: 352
Temperature: 1.300000
Total energy: -305.323328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.323328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.323328 (E_RNA)
where:
Base-Base interactions energy: -94.678
where: short stacking energy: -80.460
Base-Backbone interact. energy: -1.939
local terms energy: -208.706755
where:
bonds (distance) C4'-P energy: -66.999
bonds (distance) P-C4' energy: -67.864
flat angles C4'-P-C4' energy: -50.594
flat angles P-C4'-P energy: -27.956
tors. eta vs tors. theta energy: 4.706
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: 10, replica: 8
=====================================
Write number: 352
Temperature: 1.350000
Total energy: -272.886346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.886346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.886346 (E_RNA)
where:
Base-Base interactions energy: -100.732
where: short stacking energy: -66.732
Base-Backbone interact. energy: -1.497
local terms energy: -170.657427
where:
bonds (distance) C4'-P energy: -47.378
bonds (distance) P-C4' energy: -59.286
flat angles C4'-P-C4' energy: -49.952
flat angles P-C4'-P energy: -29.999
tors. eta vs tors. theta energy: 15.957
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 353
Temperature: 0.900000
Total energy: -1099.285461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1099.285461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1099.285461 (E_RNA)
where:
Base-Base interactions energy: -734.981
where: short stacking energy: -331.094
Base-Backbone interact. energy: -0.734
local terms energy: -363.570962
where:
bonds (distance) C4'-P energy: -61.620
bonds (distance) P-C4' energy: -65.523
flat angles C4'-P-C4' energy: -72.744
flat angles P-C4'-P energy: -52.017
tors. eta vs tors. theta energy: -111.666
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 353
Temperature: 0.950000
Total energy: -1003.280632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1003.280632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1003.280632 (E_RNA)
where:
Base-Base interactions energy: -657.762
where: short stacking energy: -308.281
Base-Backbone interact. energy: -1.329
local terms energy: -344.189550
where:
bonds (distance) C4'-P energy: -59.329
bonds (distance) P-C4' energy: -73.159
flat angles C4'-P-C4' energy: -72.436
flat angles P-C4'-P energy: -47.302
tors. eta vs tors. theta energy: -91.963
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 353
Temperature: 1.000000
Total energy: -865.135019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -865.135019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -865.135019 (E_RNA)
where:
Base-Base interactions energy: -544.509
where: short stacking energy: -253.267
Base-Backbone interact. energy: -1.016
local terms energy: -319.610243
where:
bonds (distance) C4'-P energy: -65.122
bonds (distance) P-C4' energy: -64.139
flat angles C4'-P-C4' energy: -75.958
flat angles P-C4'-P energy: -40.766
tors. eta vs tors. theta energy: -73.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 353
Temperature: 1.050000
Total energy: -871.180785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -871.180785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -871.180785 (E_RNA)
where:
Base-Base interactions energy: -554.438
where: short stacking energy: -248.428
Base-Backbone interact. energy: -1.359
local terms energy: -315.383733
where:
bonds (distance) C4'-P energy: -71.868
bonds (distance) P-C4' energy: -64.517
flat angles C4'-P-C4' energy: -66.391
flat angles P-C4'-P energy: -38.669
tors. eta vs tors. theta energy: -73.938
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 353
Temperature: 1.100000
Total energy: -692.384111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -692.384111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -692.384111 (E_RNA)
where:
Base-Base interactions energy: -406.780
where: short stacking energy: -199.384
Base-Backbone interact. energy: -1.739
local terms energy: -283.865784
where:
bonds (distance) C4'-P energy: -67.737
bonds (distance) P-C4' energy: -48.157
flat angles C4'-P-C4' energy: -72.733
flat angles P-C4'-P energy: -40.921
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: 6, replica: 7
=====================================
Write number: 353
Temperature: 1.150000
Total energy: -470.277630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -470.277630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -470.277630 (E_RNA)
where:
Base-Base interactions energy: -221.751
where: short stacking energy: -136.744
Base-Backbone interact. energy: -1.333
local terms energy: -247.193187
where:
bonds (distance) C4'-P energy: -59.207
bonds (distance) P-C4' energy: -58.123
flat angles C4'-P-C4' energy: -61.490
flat angles P-C4'-P energy: -40.800
tors. eta vs tors. theta energy: -27.573
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 353
Temperature: 1.200000
Total energy: -310.072979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.072979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.072979 (E_RNA)
where:
Base-Base interactions energy: -104.604
where: short stacking energy: -83.217
Base-Backbone interact. energy: 0.682
local terms energy: -206.151262
where:
bonds (distance) C4'-P energy: -69.540
bonds (distance) P-C4' energy: -53.574
flat angles C4'-P-C4' energy: -57.217
flat angles P-C4'-P energy: -38.011
tors. eta vs tors. theta energy: 12.190
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: 9
=====================================
Write number: 353
Temperature: 1.250000
Total energy: -329.964897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.964897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.964897 (E_RNA)
where:
Base-Base interactions energy: -131.425
where: short stacking energy: -80.215
Base-Backbone interact. energy: -0.669
local terms energy: -197.870244
where:
bonds (distance) C4'-P energy: -69.155
bonds (distance) P-C4' energy: -62.690
flat angles C4'-P-C4' energy: -43.515
flat angles P-C4'-P energy: -37.196
tors. eta vs tors. theta energy: 14.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 353
Temperature: 1.300000
Total energy: -304.177749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.177749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.177749 (E_RNA)
where:
Base-Base interactions energy: -110.059
where: short stacking energy: -95.893
Base-Backbone interact. energy: -0.894
local terms energy: -193.224784
where:
bonds (distance) C4'-P energy: -61.163
bonds (distance) P-C4' energy: -50.156
flat angles C4'-P-C4' energy: -52.667
flat angles P-C4'-P energy: -35.301
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: 8
=====================================
Write number: 353
Temperature: 1.350000
Total energy: -272.952458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.952458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.952458 (E_RNA)
where:
Base-Base interactions energy: -106.763
where: short stacking energy: -81.775
Base-Backbone interact. energy: -0.878
local terms energy: -165.311080
where:
bonds (distance) C4'-P energy: -49.267
bonds (distance) P-C4' energy: -57.432
flat angles C4'-P-C4' energy: -46.498
flat angles P-C4'-P energy: -33.565
tors. eta vs tors. theta energy: 21.451
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: 354
Temperature: 0.900000
Total energy: -1138.016079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1138.016079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1138.016079 (E_RNA)
where:
Base-Base interactions energy: -759.994
where: short stacking energy: -337.527
Base-Backbone interact. energy: -0.324
local terms energy: -377.698060
where:
bonds (distance) C4'-P energy: -74.917
bonds (distance) P-C4' energy: -61.067
flat angles C4'-P-C4' energy: -75.694
flat angles P-C4'-P energy: -51.375
tors. eta vs tors. theta energy: -114.645
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: 2, replica: 1
=====================================
Write number: 354
Temperature: 0.950000
Total energy: -1019.446434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1019.446434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1019.446434 (E_RNA)
where:
Base-Base interactions energy: -686.045
where: short stacking energy: -292.467
Base-Backbone interact. energy: -1.540
local terms energy: -331.861903
where:
bonds (distance) C4'-P energy: -67.297
bonds (distance) P-C4' energy: -68.284
flat angles C4'-P-C4' energy: -68.794
flat angles P-C4'-P energy: -35.974
tors. eta vs tors. theta energy: -91.512
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 354
Temperature: 1.000000
Total energy: -935.908625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -935.908625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -935.908625 (E_RNA)
where:
Base-Base interactions energy: -626.651
where: short stacking energy: -282.285
Base-Backbone interact. energy: 0.270
local terms energy: -309.527978
where:
bonds (distance) C4'-P energy: -61.068
bonds (distance) P-C4' energy: -58.151
flat angles C4'-P-C4' energy: -63.673
flat angles P-C4'-P energy: -37.236
tors. eta vs tors. theta energy: -89.401
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 354
Temperature: 1.050000
Total energy: -848.719834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -848.719834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -848.719834 (E_RNA)
where:
Base-Base interactions energy: -546.166
where: short stacking energy: -238.525
Base-Backbone interact. energy: 1.046
local terms energy: -303.600235
where:
bonds (distance) C4'-P energy: -59.595
bonds (distance) P-C4' energy: -65.870
flat angles C4'-P-C4' energy: -69.441
flat angles P-C4'-P energy: -45.295
tors. eta vs tors. theta energy: -63.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 354
Temperature: 1.100000
Total energy: -706.112690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -706.112690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -706.112690 (E_RNA)
where:
Base-Base interactions energy: -418.093
where: short stacking energy: -189.553
Base-Backbone interact. energy: -1.627
local terms energy: -286.393123
where:
bonds (distance) C4'-P energy: -67.884
bonds (distance) P-C4' energy: -51.953
flat angles C4'-P-C4' energy: -71.192
flat angles P-C4'-P energy: -45.352
tors. eta vs tors. theta energy: -50.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 354
Temperature: 1.150000
Total energy: -457.656485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -457.656485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -457.656485 (E_RNA)
where:
Base-Base interactions energy: -218.214
where: short stacking energy: -122.150
Base-Backbone interact. energy: -1.975
local terms energy: -237.467569
where:
bonds (distance) C4'-P energy: -60.381
bonds (distance) P-C4' energy: -55.550
flat angles C4'-P-C4' energy: -70.114
flat angles P-C4'-P energy: -37.920
tors. eta vs tors. theta energy: -13.504
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 354
Temperature: 1.200000
Total energy: -357.169416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.169416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.169416 (E_RNA)
where:
Base-Base interactions energy: -138.319
where: short stacking energy: -101.974
Base-Backbone interact. energy: -1.178
local terms energy: -217.672415
where:
bonds (distance) C4'-P energy: -72.985
bonds (distance) P-C4' energy: -58.359
flat angles C4'-P-C4' energy: -48.916
flat angles P-C4'-P energy: -30.529
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: 8, replica: 2
=====================================
Write number: 354
Temperature: 1.250000
Total energy: -313.709025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.709025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.709025 (E_RNA)
where:
Base-Base interactions energy: -124.074
where: short stacking energy: -97.427
Base-Backbone interact. energy: 5.271
local terms energy: -194.905632
where:
bonds (distance) C4'-P energy: -44.718
bonds (distance) P-C4' energy: -69.349
flat angles C4'-P-C4' energy: -46.507
flat angles P-C4'-P energy: -37.693
tors. eta vs tors. theta energy: 3.362
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 354
Temperature: 1.300000
Total energy: -293.476249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.476249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.476249 (E_RNA)
where:
Base-Base interactions energy: -90.879
where: short stacking energy: -58.380
Base-Backbone interact. energy: 0.675
local terms energy: -203.271752
where:
bonds (distance) C4'-P energy: -56.894
bonds (distance) P-C4' energy: -67.885
flat angles C4'-P-C4' energy: -48.356
flat angles P-C4'-P energy: -31.660
tors. eta vs tors. theta energy: 1.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 354
Temperature: 1.350000
Total energy: -282.777355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.777355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.777355 (E_RNA)
where:
Base-Base interactions energy: -104.339
where: short stacking energy: -52.535
Base-Backbone interact. energy: 0.414
local terms energy: -178.852179
where:
bonds (distance) C4'-P energy: -58.924
bonds (distance) P-C4' energy: -48.008
flat angles C4'-P-C4' energy: -51.919
flat angles P-C4'-P energy: -33.007
tors. eta vs tors. theta energy: 13.006
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 355
Temperature: 0.900000
Total energy: -1136.925274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1136.925274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1136.925274 (E_RNA)
where:
Base-Base interactions energy: -773.700
where: short stacking energy: -343.837
Base-Backbone interact. energy: 0.321
local terms energy: -363.546835
where:
bonds (distance) C4'-P energy: -54.504
bonds (distance) P-C4' energy: -69.580
flat angles C4'-P-C4' energy: -70.277
flat angles P-C4'-P energy: -54.586
tors. eta vs tors. theta energy: -114.599
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: 2, replica: 1
=====================================
Write number: 355
Temperature: 0.950000
Total energy: -1030.518710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1030.518710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1030.518710 (E_RNA)
where:
Base-Base interactions energy: -685.471
where: short stacking energy: -278.969
Base-Backbone interact. energy: -2.411
local terms energy: -342.636650
where:
bonds (distance) C4'-P energy: -69.388
bonds (distance) P-C4' energy: -70.409
flat angles C4'-P-C4' energy: -79.788
flat angles P-C4'-P energy: -40.483
tors. eta vs tors. theta energy: -82.568
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: 3, replica: 5
=====================================
Write number: 355
Temperature: 1.000000
Total energy: -929.307502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -929.307502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -929.307502 (E_RNA)
where:
Base-Base interactions energy: -580.866
where: short stacking energy: -277.764
Base-Backbone interact. energy: -1.072
local terms energy: -347.369206
where:
bonds (distance) C4'-P energy: -66.483
bonds (distance) P-C4' energy: -68.871
flat angles C4'-P-C4' energy: -76.505
flat angles P-C4'-P energy: -45.781
tors. eta vs tors. theta energy: -89.729
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 355
Temperature: 1.050000
Total energy: -855.993616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -855.993616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -855.993616 (E_RNA)
where:
Base-Base interactions energy: -551.952
where: short stacking energy: -250.297
Base-Backbone interact. energy: -0.498
local terms energy: -303.543751
where:
bonds (distance) C4'-P energy: -63.258
bonds (distance) P-C4' energy: -48.676
flat angles C4'-P-C4' energy: -65.214
flat angles P-C4'-P energy: -52.983
tors. eta vs tors. theta energy: -73.412
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: 6
=====================================
Write number: 355
Temperature: 1.100000
Total energy: -638.778173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -638.778173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -638.778173 (E_RNA)
where:
Base-Base interactions energy: -388.367
where: short stacking energy: -193.554
Base-Backbone interact. energy: 3.629
local terms energy: -254.039879
where:
bonds (distance) C4'-P energy: -56.152
bonds (distance) P-C4' energy: -50.767
flat angles C4'-P-C4' energy: -60.612
flat angles P-C4'-P energy: -35.462
tors. eta vs tors. theta energy: -51.047
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: 9
=====================================
Write number: 355
Temperature: 1.150000
Total energy: -392.930959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.930959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -392.930959 (E_RNA)
where:
Base-Base interactions energy: -177.634
where: short stacking energy: -120.925
Base-Backbone interact. energy: -0.814
local terms energy: -214.482759
where:
bonds (distance) C4'-P energy: -54.737
bonds (distance) P-C4' energy: -60.684
flat angles C4'-P-C4' energy: -55.022
flat angles P-C4'-P energy: -35.519
tors. eta vs tors. theta energy: -8.521
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 355
Temperature: 1.200000
Total energy: -425.094739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -425.094739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -425.094739 (E_RNA)
where:
Base-Base interactions energy: -208.565
where: short stacking energy: -104.673
Base-Backbone interact. energy: -1.200
local terms energy: -215.329616
where:
bonds (distance) C4'-P energy: -63.886
bonds (distance) P-C4' energy: -64.244
flat angles C4'-P-C4' energy: -48.473
flat angles P-C4'-P energy: -37.056
tors. eta vs tors. theta energy: -1.670
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 355
Temperature: 1.250000
Total energy: -311.526433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.526433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.526433 (E_RNA)
where:
Base-Base interactions energy: -109.663
where: short stacking energy: -100.790
Base-Backbone interact. energy: 0.482
local terms energy: -202.345977
where:
bonds (distance) C4'-P energy: -55.531
bonds (distance) P-C4' energy: -67.484
flat angles C4'-P-C4' energy: -55.187
flat angles P-C4'-P energy: -28.145
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: 9, replica: 8
=====================================
Write number: 355
Temperature: 1.300000
Total energy: -298.740081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.740081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.740081 (E_RNA)
where:
Base-Base interactions energy: -110.873
where: short stacking energy: -91.156
Base-Backbone interact. energy: -1.725
local terms energy: -186.142367
where:
bonds (distance) C4'-P energy: -55.700
bonds (distance) P-C4' energy: -53.340
flat angles C4'-P-C4' energy: -50.931
flat angles P-C4'-P energy: -20.441
tors. eta vs tors. theta energy: -5.730
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: 10, replica: 10
=====================================
Write number: 355
Temperature: 1.350000
Total energy: -270.060326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.060326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.060326 (E_RNA)
where:
Base-Base interactions energy: -77.060
where: short stacking energy: -54.879
Base-Backbone interact. energy: -1.265
local terms energy: -191.735635
where:
bonds (distance) C4'-P energy: -64.536
bonds (distance) P-C4' energy: -66.326
flat angles C4'-P-C4' energy: -44.762
flat angles P-C4'-P energy: -19.363
tors. eta vs tors. theta energy: 3.252
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: 4
=====================================
Write number: 356
Temperature: 0.900000
Total energy: -1141.926962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1141.926962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1141.926962 (E_RNA)
where:
Base-Base interactions energy: -768.679
where: short stacking energy: -342.893
Base-Backbone interact. energy: -1.255
local terms energy: -371.992952
where:
bonds (distance) C4'-P energy: -80.521
bonds (distance) P-C4' energy: -64.019
flat angles C4'-P-C4' energy: -70.275
flat angles P-C4'-P energy: -47.158
tors. eta vs tors. theta energy: -110.020
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: 356
Temperature: 0.950000
Total energy: -1018.129154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1018.129154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1018.129154 (E_RNA)
where:
Base-Base interactions energy: -699.006
where: short stacking energy: -290.716
Base-Backbone interact. energy: -1.637
local terms energy: -317.485896
where:
bonds (distance) C4'-P energy: -69.916
bonds (distance) P-C4' energy: -57.981
flat angles C4'-P-C4' energy: -78.017
flat angles P-C4'-P energy: -33.544
tors. eta vs tors. theta energy: -78.029
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: 3, replica: 5
=====================================
Write number: 356
Temperature: 1.000000
Total energy: -902.891149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -902.891149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -902.891149 (E_RNA)
where:
Base-Base interactions energy: -580.070
where: short stacking energy: -268.367
Base-Backbone interact. energy: -0.070
local terms energy: -322.751034
where:
bonds (distance) C4'-P energy: -66.931
bonds (distance) P-C4' energy: -58.702
flat angles C4'-P-C4' energy: -68.922
flat angles P-C4'-P energy: -44.949
tors. eta vs tors. theta energy: -83.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 356
Temperature: 1.050000
Total energy: -847.052949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -847.052949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -847.052949 (E_RNA)
where:
Base-Base interactions energy: -520.946
where: short stacking energy: -219.591
Base-Backbone interact. energy: -1.557
local terms energy: -324.550388
where:
bonds (distance) C4'-P energy: -67.280
bonds (distance) P-C4' energy: -66.668
flat angles C4'-P-C4' energy: -72.117
flat angles P-C4'-P energy: -54.636
tors. eta vs tors. theta energy: -63.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 356
Temperature: 1.100000
Total energy: -619.802516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -619.802516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -619.802516 (E_RNA)
where:
Base-Base interactions energy: -364.858
where: short stacking energy: -171.719
Base-Backbone interact. energy: 1.316
local terms energy: -256.260407
where:
bonds (distance) C4'-P energy: -61.218
bonds (distance) P-C4' energy: -64.180
flat angles C4'-P-C4' energy: -59.430
flat angles P-C4'-P energy: -36.070
tors. eta vs tors. theta energy: -35.362
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 356
Temperature: 1.150000
Total energy: -356.970682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.970682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.970682 (E_RNA)
where:
Base-Base interactions energy: -137.980
where: short stacking energy: -113.939
Base-Backbone interact. energy: 1.278
local terms energy: -220.269316
where:
bonds (distance) C4'-P energy: -67.480
bonds (distance) P-C4' energy: -49.292
flat angles C4'-P-C4' energy: -55.990
flat angles P-C4'-P energy: -43.233
tors. eta vs tors. theta energy: -4.274
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 356
Temperature: 1.200000
Total energy: -428.258326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -428.258326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -428.258326 (E_RNA)
where:
Base-Base interactions energy: -199.368
where: short stacking energy: -111.617
Base-Backbone interact. energy: -1.117
local terms energy: -227.772959
where:
bonds (distance) C4'-P energy: -59.183
bonds (distance) P-C4' energy: -58.656
flat angles C4'-P-C4' energy: -63.899
flat angles P-C4'-P energy: -31.522
tors. eta vs tors. theta energy: -14.514
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 356
Temperature: 1.250000
Total energy: -315.520730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.520730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.520730 (E_RNA)
where:
Base-Base interactions energy: -108.209
where: short stacking energy: -86.599
Base-Backbone interact. energy: 0.382
local terms energy: -207.693759
where:
bonds (distance) C4'-P energy: -58.264
bonds (distance) P-C4' energy: -57.403
flat angles C4'-P-C4' energy: -57.768
flat angles P-C4'-P energy: -26.872
tors. eta vs tors. theta energy: -7.387
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: 8
=====================================
Write number: 356
Temperature: 1.300000
Total energy: -314.333437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.333437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.333437 (E_RNA)
where:
Base-Base interactions energy: -114.386
where: short stacking energy: -88.515
Base-Backbone interact. energy: -0.096
local terms energy: -199.851242
where:
bonds (distance) C4'-P energy: -71.118
bonds (distance) P-C4' energy: -58.580
flat angles C4'-P-C4' energy: -44.450
flat angles P-C4'-P energy: -26.826
tors. eta vs tors. theta energy: 1.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 356
Temperature: 1.350000
Total energy: -273.350786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.350786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.350786 (E_RNA)
where:
Base-Base interactions energy: -70.236
where: short stacking energy: -66.155
Base-Backbone interact. energy: -0.232
local terms energy: -202.881869
where:
bonds (distance) C4'-P energy: -63.079
bonds (distance) P-C4' energy: -68.663
flat angles C4'-P-C4' energy: -53.241
flat angles P-C4'-P energy: -26.943
tors. eta vs tors. theta energy: 9.044
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 357
Temperature: 0.900000
Total energy: -1114.678605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1114.678605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1114.678605 (E_RNA)
where:
Base-Base interactions energy: -724.013
where: short stacking energy: -340.023
Base-Backbone interact. energy: -2.217
local terms energy: -388.447938
where:
bonds (distance) C4'-P energy: -73.281
bonds (distance) P-C4' energy: -71.055
flat angles C4'-P-C4' energy: -81.744
flat angles P-C4'-P energy: -47.315
tors. eta vs tors. theta energy: -115.053
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: 2, replica: 1
=====================================
Write number: 357
Temperature: 0.950000
Total energy: -1015.727819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1015.727819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1015.727819 (E_RNA)
where:
Base-Base interactions energy: -667.519
where: short stacking energy: -272.967
Base-Backbone interact. energy: -1.775
local terms energy: -346.433915
where:
bonds (distance) C4'-P energy: -70.446
bonds (distance) P-C4' energy: -71.679
flat angles C4'-P-C4' energy: -75.358
flat angles P-C4'-P energy: -47.988
tors. eta vs tors. theta energy: -80.963
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 357
Temperature: 1.000000
Total energy: -925.224652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -925.224652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -925.224652 (E_RNA)
where:
Base-Base interactions energy: -591.652
where: short stacking energy: -280.710
Base-Backbone interact. energy: -0.270
local terms energy: -333.302502
where:
bonds (distance) C4'-P energy: -64.546
bonds (distance) P-C4' energy: -66.452
flat angles C4'-P-C4' energy: -78.633
flat angles P-C4'-P energy: -40.165
tors. eta vs tors. theta energy: -83.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 357
Temperature: 1.050000
Total energy: -851.825282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -851.825282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -851.825282 (E_RNA)
where:
Base-Base interactions energy: -554.674
where: short stacking energy: -226.676
Base-Backbone interact. energy: -0.009
local terms energy: -297.142445
where:
bonds (distance) C4'-P energy: -62.765
bonds (distance) P-C4' energy: -68.491
flat angles C4'-P-C4' energy: -64.578
flat angles P-C4'-P energy: -35.937
tors. eta vs tors. theta energy: -65.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 357
Temperature: 1.100000
Total energy: -567.171802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -567.171802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -567.171802 (E_RNA)
where:
Base-Base interactions energy: -311.082
where: short stacking energy: -131.885
Base-Backbone interact. energy: 3.630
local terms energy: -259.719920
where:
bonds (distance) C4'-P energy: -57.917
bonds (distance) P-C4' energy: -70.815
flat angles C4'-P-C4' energy: -65.620
flat angles P-C4'-P energy: -40.289
tors. eta vs tors. theta energy: -25.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 357
Temperature: 1.150000
Total energy: -449.391272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -449.391272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -449.391272 (E_RNA)
where:
Base-Base interactions energy: -200.233
where: short stacking energy: -122.431
Base-Backbone interact. energy: 2.447
local terms energy: -251.605166
where:
bonds (distance) C4'-P energy: -68.622
bonds (distance) P-C4' energy: -69.532
flat angles C4'-P-C4' energy: -60.367
flat angles P-C4'-P energy: -36.966
tors. eta vs tors. theta energy: -16.120
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 357
Temperature: 1.200000
Total energy: -321.382149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.382149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.382149 (E_RNA)
where:
Base-Base interactions energy: -105.139
where: short stacking energy: -90.083
Base-Backbone interact. energy: -1.120
local terms energy: -215.122997
where:
bonds (distance) C4'-P energy: -61.979
bonds (distance) P-C4' energy: -70.519
flat angles C4'-P-C4' energy: -54.479
flat angles P-C4'-P energy: -30.839
tors. eta vs tors. theta energy: 2.692
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 357
Temperature: 1.250000
Total energy: -317.418568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.418568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.418568 (E_RNA)
where:
Base-Base interactions energy: -117.081
where: short stacking energy: -95.166
Base-Backbone interact. energy: -2.017
local terms energy: -198.320194
where:
bonds (distance) C4'-P energy: -57.414
bonds (distance) P-C4' energy: -70.797
flat angles C4'-P-C4' energy: -48.445
flat angles P-C4'-P energy: -27.910
tors. eta vs tors. theta energy: 6.245
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: 8
=====================================
Write number: 357
Temperature: 1.300000
Total energy: -296.199403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.199403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.199403 (E_RNA)
where:
Base-Base interactions energy: -110.525
where: short stacking energy: -68.960
Base-Backbone interact. energy: -1.358
local terms energy: -184.316222
where:
bonds (distance) C4'-P energy: -70.585
bonds (distance) P-C4' energy: -45.933
flat angles C4'-P-C4' energy: -38.609
flat angles P-C4'-P energy: -32.274
tors. eta vs tors. theta energy: 3.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 357
Temperature: 1.350000
Total energy: -276.522406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.522406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.522406 (E_RNA)
where:
Base-Base interactions energy: -101.162
where: short stacking energy: -80.642
Base-Backbone interact. energy: 1.487
local terms energy: -176.847504
where:
bonds (distance) C4'-P energy: -43.035
bonds (distance) P-C4' energy: -58.435
flat angles C4'-P-C4' energy: -48.304
flat angles P-C4'-P energy: -37.805
tors. eta vs tors. theta energy: 10.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 358
Temperature: 0.900000
Total energy: -1107.846293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1107.846293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1107.846293 (E_RNA)
where:
Base-Base interactions energy: -743.082
where: short stacking energy: -321.439
Base-Backbone interact. energy: 2.028
local terms energy: -366.792171
where:
bonds (distance) C4'-P energy: -63.114
bonds (distance) P-C4' energy: -69.142
flat angles C4'-P-C4' energy: -74.841
flat angles P-C4'-P energy: -50.858
tors. eta vs tors. theta energy: -108.837
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 358
Temperature: 0.950000
Total energy: -1025.079424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1025.079424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1025.079424 (E_RNA)
where:
Base-Base interactions energy: -677.102
where: short stacking energy: -287.044
Base-Backbone interact. energy: -2.559
local terms energy: -345.418305
where:
bonds (distance) C4'-P energy: -69.450
bonds (distance) P-C4' energy: -70.501
flat angles C4'-P-C4' energy: -75.712
flat angles P-C4'-P energy: -47.252
tors. eta vs tors. theta energy: -82.503
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 358
Temperature: 1.000000
Total energy: -911.854084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -911.854084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -911.854084 (E_RNA)
where:
Base-Base interactions energy: -581.810
where: short stacking energy: -285.332
Base-Backbone interact. energy: -0.478
local terms energy: -329.565852
where:
bonds (distance) C4'-P energy: -69.512
bonds (distance) P-C4' energy: -57.581
flat angles C4'-P-C4' energy: -74.909
flat angles P-C4'-P energy: -38.922
tors. eta vs tors. theta energy: -88.642
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 358
Temperature: 1.050000
Total energy: -802.246564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -802.246564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -802.246564 (E_RNA)
where:
Base-Base interactions energy: -504.960
where: short stacking energy: -227.139
Base-Backbone interact. energy: -3.359
local terms energy: -293.927741
where:
bonds (distance) C4'-P energy: -57.647
bonds (distance) P-C4' energy: -65.660
flat angles C4'-P-C4' energy: -74.344
flat angles P-C4'-P energy: -39.401
tors. eta vs tors. theta energy: -56.876
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 358
Temperature: 1.100000
Total energy: -634.477752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -634.477752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -634.477752 (E_RNA)
where:
Base-Base interactions energy: -352.005
where: short stacking energy: -170.023
Base-Backbone interact. energy: -1.544
local terms energy: -280.929164
where:
bonds (distance) C4'-P energy: -64.446
bonds (distance) P-C4' energy: -65.064
flat angles C4'-P-C4' energy: -67.937
flat angles P-C4'-P energy: -43.736
tors. eta vs tors. theta energy: -39.746
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 358
Temperature: 1.150000
Total energy: -556.331653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.331653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -556.331653 (E_RNA)
where:
Base-Base interactions energy: -291.837
where: short stacking energy: -150.865
Base-Backbone interact. energy: -0.963
local terms energy: -263.531614
where:
bonds (distance) C4'-P energy: -63.141
bonds (distance) P-C4' energy: -63.384
flat angles C4'-P-C4' energy: -66.531
flat angles P-C4'-P energy: -41.482
tors. eta vs tors. theta energy: -28.993
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: 9
=====================================
Write number: 358
Temperature: 1.200000
Total energy: -353.819785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.819785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.819785 (E_RNA)
where:
Base-Base interactions energy: -141.892
where: short stacking energy: -111.413
Base-Backbone interact. energy: -1.630
local terms energy: -210.297292
where:
bonds (distance) C4'-P energy: -53.223
bonds (distance) P-C4' energy: -63.239
flat angles C4'-P-C4' energy: -55.146
flat angles P-C4'-P energy: -29.553
tors. eta vs tors. theta energy: -9.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 358
Temperature: 1.250000
Total energy: -303.955930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.955930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.955930 (E_RNA)
where:
Base-Base interactions energy: -93.354
where: short stacking energy: -64.390
Base-Backbone interact. energy: 1.998
local terms energy: -212.599914
where:
bonds (distance) C4'-P energy: -71.899
bonds (distance) P-C4' energy: -68.369
flat angles C4'-P-C4' energy: -56.671
flat angles P-C4'-P energy: -29.650
tors. eta vs tors. theta energy: 13.989
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 358
Temperature: 1.300000
Total energy: -300.160906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.160906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.160906 (E_RNA)
where:
Base-Base interactions energy: -115.662
where: short stacking energy: -93.287
Base-Backbone interact. energy: -0.047
local terms energy: -184.451865
where:
bonds (distance) C4'-P energy: -45.972
bonds (distance) P-C4' energy: -70.355
flat angles C4'-P-C4' energy: -52.428
flat angles P-C4'-P energy: -24.287
tors. eta vs tors. theta energy: 8.590
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: 8
=====================================
Write number: 358
Temperature: 1.350000
Total energy: -254.833878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.833878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.833878 (E_RNA)
where:
Base-Base interactions energy: -90.311
where: short stacking energy: -76.165
Base-Backbone interact. energy: -1.286
local terms energy: -163.236994
where:
bonds (distance) C4'-P energy: -52.560
bonds (distance) P-C4' energy: -58.226
flat angles C4'-P-C4' energy: -53.445
flat angles P-C4'-P energy: -20.810
tors. eta vs tors. theta energy: 21.805
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: 4
=====================================
Write number: 359
Temperature: 0.900000
Total energy: -1119.244312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1119.244312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1119.244312 (E_RNA)
where:
Base-Base interactions energy: -750.533
where: short stacking energy: -323.622
Base-Backbone interact. energy: -1.398
local terms energy: -367.313302
where:
bonds (distance) C4'-P energy: -70.657
bonds (distance) P-C4' energy: -64.028
flat angles C4'-P-C4' energy: -74.194
flat angles P-C4'-P energy: -50.193
tors. eta vs tors. theta energy: -108.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 359
Temperature: 0.950000
Total energy: -1026.085979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1026.085979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1026.085979 (E_RNA)
where:
Base-Base interactions energy: -652.441
where: short stacking energy: -283.629
Base-Backbone interact. energy: -1.176
local terms energy: -372.469314
where:
bonds (distance) C4'-P energy: -77.320
bonds (distance) P-C4' energy: -75.094
flat angles C4'-P-C4' energy: -77.397
flat angles P-C4'-P energy: -52.609
tors. eta vs tors. theta energy: -90.049
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 359
Temperature: 1.000000
Total energy: -936.910961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -936.910961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -936.910961 (E_RNA)
where:
Base-Base interactions energy: -599.753
where: short stacking energy: -287.725
Base-Backbone interact. energy: -1.484
local terms energy: -335.673726
where:
bonds (distance) C4'-P energy: -62.797
bonds (distance) P-C4' energy: -66.349
flat angles C4'-P-C4' energy: -67.515
flat angles P-C4'-P energy: -47.413
tors. eta vs tors. theta energy: -91.599
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 359
Temperature: 1.050000
Total energy: -791.131412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -791.131412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -791.131412 (E_RNA)
where:
Base-Base interactions energy: -479.630
where: short stacking energy: -234.860
Base-Backbone interact. energy: 0.420
local terms energy: -311.922324
where:
bonds (distance) C4'-P energy: -66.601
bonds (distance) P-C4' energy: -62.591
flat angles C4'-P-C4' energy: -67.058
flat angles P-C4'-P energy: -50.351
tors. eta vs tors. theta energy: -65.322
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: 5, replica: 6
=====================================
Write number: 359
Temperature: 1.100000
Total energy: -627.267190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -627.267190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -627.267190 (E_RNA)
where:
Base-Base interactions energy: -357.102
where: short stacking energy: -179.825
Base-Backbone interact. energy: 2.140
local terms energy: -272.305205
where:
bonds (distance) C4'-P energy: -56.500
bonds (distance) P-C4' energy: -61.626
flat angles C4'-P-C4' energy: -69.169
flat angles P-C4'-P energy: -38.069
tors. eta vs tors. theta energy: -46.940
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 359
Temperature: 1.150000
Total energy: -533.801612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.801612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.801612 (E_RNA)
where:
Base-Base interactions energy: -270.056
where: short stacking energy: -145.154
Base-Backbone interact. energy: 0.872
local terms energy: -264.618452
where:
bonds (distance) C4'-P energy: -64.024
bonds (distance) P-C4' energy: -75.621
flat angles C4'-P-C4' energy: -57.834
flat angles P-C4'-P energy: -46.854
tors. eta vs tors. theta energy: -20.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 359
Temperature: 1.200000
Total energy: -346.392138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.392138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.392138 (E_RNA)
where:
Base-Base interactions energy: -156.640
where: short stacking energy: -91.876
Base-Backbone interact. energy: -0.957
local terms energy: -188.795729
where:
bonds (distance) C4'-P energy: -59.893
bonds (distance) P-C4' energy: -51.058
flat angles C4'-P-C4' energy: -59.766
flat angles P-C4'-P energy: -23.438
tors. eta vs tors. theta energy: 5.359
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 359
Temperature: 1.250000
Total energy: -327.824068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.824068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.824068 (E_RNA)
where:
Base-Base interactions energy: -136.586
where: short stacking energy: -103.457
Base-Backbone interact. energy: -0.543
local terms energy: -190.695186
where:
bonds (distance) C4'-P energy: -38.740
bonds (distance) P-C4' energy: -66.086
flat angles C4'-P-C4' energy: -53.137
flat angles P-C4'-P energy: -32.635
tors. eta vs tors. theta energy: -0.098
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 359
Temperature: 1.300000
Total energy: -293.138587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.138587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.138587 (E_RNA)
where:
Base-Base interactions energy: -108.380
where: short stacking energy: -83.495
Base-Backbone interact. energy: 1.572
local terms energy: -186.330790
where:
bonds (distance) C4'-P energy: -62.039
bonds (distance) P-C4' energy: -57.835
flat angles C4'-P-C4' energy: -51.699
flat angles P-C4'-P energy: -21.396
tors. eta vs tors. theta energy: 6.638
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 359
Temperature: 1.350000
Total energy: -271.027422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.027422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.027422 (E_RNA)
where:
Base-Base interactions energy: -99.401
where: short stacking energy: -65.450
Base-Backbone interact. energy: 1.767
local terms energy: -173.393682
where:
bonds (distance) C4'-P energy: -52.149
bonds (distance) P-C4' energy: -57.478
flat angles C4'-P-C4' energy: -53.430
flat angles P-C4'-P energy: -23.293
tors. eta vs tors. theta energy: 12.956
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 360
Temperature: 0.900000
Total energy: -1129.894339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1129.894339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1129.894339 (E_RNA)
where:
Base-Base interactions energy: -748.984
where: short stacking energy: -344.703
Base-Backbone interact. energy: -1.813
local terms energy: -379.096907
where:
bonds (distance) C4'-P energy: -55.061
bonds (distance) P-C4' energy: -78.983
flat angles C4'-P-C4' energy: -85.136
flat angles P-C4'-P energy: -49.800
tors. eta vs tors. theta energy: -110.117
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 360
Temperature: 0.950000
Total energy: -999.748600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -999.748600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -999.748600 (E_RNA)
where:
Base-Base interactions energy: -657.187
where: short stacking energy: -279.543
Base-Backbone interact. energy: -1.116
local terms energy: -341.445805
where:
bonds (distance) C4'-P energy: -71.415
bonds (distance) P-C4' energy: -68.827
flat angles C4'-P-C4' energy: -65.863
flat angles P-C4'-P energy: -44.569
tors. eta vs tors. theta energy: -90.772
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: 5
=====================================
Write number: 360
Temperature: 1.000000
Total energy: -933.999096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -933.999096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -933.999096 (E_RNA)
where:
Base-Base interactions energy: -594.886
where: short stacking energy: -262.539
Base-Backbone interact. energy: -0.921
local terms energy: -338.192246
where:
bonds (distance) C4'-P energy: -59.012
bonds (distance) P-C4' energy: -74.347
flat angles C4'-P-C4' energy: -71.965
flat angles P-C4'-P energy: -42.418
tors. eta vs tors. theta energy: -90.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 360
Temperature: 1.050000
Total energy: -794.397340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -794.397340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -794.397340 (E_RNA)
where:
Base-Base interactions energy: -454.896
where: short stacking energy: -217.300
Base-Backbone interact. energy: -0.931
local terms energy: -338.569607
where:
bonds (distance) C4'-P energy: -71.271
bonds (distance) P-C4' energy: -73.628
flat angles C4'-P-C4' energy: -77.803
flat angles P-C4'-P energy: -46.879
tors. eta vs tors. theta energy: -68.989
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 360
Temperature: 1.100000
Total energy: -620.034953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -620.034953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -620.034953 (E_RNA)
where:
Base-Base interactions energy: -353.990
where: short stacking energy: -180.414
Base-Backbone interact. energy: -1.969
local terms energy: -264.076675
where:
bonds (distance) C4'-P energy: -62.844
bonds (distance) P-C4' energy: -73.164
flat angles C4'-P-C4' energy: -54.675
flat angles P-C4'-P energy: -34.905
tors. eta vs tors. theta energy: -38.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 360
Temperature: 1.150000
Total energy: -478.403966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.403966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -478.403966 (E_RNA)
where:
Base-Base interactions energy: -245.049
where: short stacking energy: -149.634
Base-Backbone interact. energy: 1.497
local terms energy: -234.851845
where:
bonds (distance) C4'-P energy: -58.024
bonds (distance) P-C4' energy: -66.375
flat angles C4'-P-C4' energy: -50.910
flat angles P-C4'-P energy: -36.479
tors. eta vs tors. theta energy: -23.064
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 360
Temperature: 1.200000
Total energy: -370.938082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.938082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.938082 (E_RNA)
where:
Base-Base interactions energy: -163.227
where: short stacking energy: -128.344
Base-Backbone interact. energy: 5.109
local terms energy: -212.820129
where:
bonds (distance) C4'-P energy: -54.188
bonds (distance) P-C4' energy: -72.758
flat angles C4'-P-C4' energy: -46.283
flat angles P-C4'-P energy: -24.447
tors. eta vs tors. theta energy: -15.143
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: 10
=====================================
Write number: 360
Temperature: 1.250000
Total energy: -315.709212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.709212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.709212 (E_RNA)
where:
Base-Base interactions energy: -112.051
where: short stacking energy: -91.972
Base-Backbone interact. energy: -1.308
local terms energy: -202.349663
where:
bonds (distance) C4'-P energy: -69.430
bonds (distance) P-C4' energy: -53.925
flat angles C4'-P-C4' energy: -48.698
flat angles P-C4'-P energy: -38.138
tors. eta vs tors. theta energy: 7.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 360
Temperature: 1.300000
Total energy: -293.785243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.785243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.785243 (E_RNA)
where:
Base-Base interactions energy: -104.732
where: short stacking energy: -81.500
Base-Backbone interact. energy: -1.099
local terms energy: -187.954061
where:
bonds (distance) C4'-P energy: -48.564
bonds (distance) P-C4' energy: -61.464
flat angles C4'-P-C4' energy: -53.112
flat angles P-C4'-P energy: -37.653
tors. eta vs tors. theta energy: 12.839
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 360
Temperature: 1.350000
Total energy: -276.595320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.595320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.595320 (E_RNA)
where:
Base-Base interactions energy: -98.485
where: short stacking energy: -79.565
Base-Backbone interact. energy: 0.361
local terms energy: -178.471138
where:
bonds (distance) C4'-P energy: -55.447
bonds (distance) P-C4' energy: -64.982
flat angles C4'-P-C4' energy: -49.282
flat angles P-C4'-P energy: -17.924
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: 4
=====================================
Write number: 361
Temperature: 0.900000
Total energy: -1117.748545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1117.748545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1117.748545 (E_RNA)
where:
Base-Base interactions energy: -735.892
where: short stacking energy: -335.025
Base-Backbone interact. energy: 0.479
local terms energy: -382.336201
where:
bonds (distance) C4'-P energy: -69.092
bonds (distance) P-C4' energy: -72.115
flat angles C4'-P-C4' energy: -79.875
flat angles P-C4'-P energy: -51.028
tors. eta vs tors. theta energy: -110.227
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 361
Temperature: 0.950000
Total energy: -993.707006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -993.707006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -993.707006 (E_RNA)
where:
Base-Base interactions energy: -656.441
where: short stacking energy: -281.845
Base-Backbone interact. energy: -0.731
local terms energy: -336.535292
where:
bonds (distance) C4'-P energy: -63.661
bonds (distance) P-C4' energy: -60.184
flat angles C4'-P-C4' energy: -73.009
flat angles P-C4'-P energy: -51.236
tors. eta vs tors. theta energy: -88.446
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 361
Temperature: 1.000000
Total energy: -960.144900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -960.144900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -960.144900 (E_RNA)
where:
Base-Base interactions energy: -611.294
where: short stacking energy: -299.755
Base-Backbone interact. energy: -1.084
local terms energy: -347.767126
where:
bonds (distance) C4'-P energy: -65.100
bonds (distance) P-C4' energy: -63.071
flat angles C4'-P-C4' energy: -73.093
flat angles P-C4'-P energy: -51.659
tors. eta vs tors. theta energy: -94.843
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 361
Temperature: 1.050000
Total energy: -843.829039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -843.829039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -843.829039 (E_RNA)
where:
Base-Base interactions energy: -535.068
where: short stacking energy: -252.779
Base-Backbone interact. energy: -1.680
local terms energy: -307.081440
where:
bonds (distance) C4'-P energy: -61.444
bonds (distance) P-C4' energy: -66.255
flat angles C4'-P-C4' energy: -68.163
flat angles P-C4'-P energy: -38.826
tors. eta vs tors. theta energy: -72.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 361
Temperature: 1.100000
Total energy: -664.718076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -664.718076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -664.718076 (E_RNA)
where:
Base-Base interactions energy: -402.558
where: short stacking energy: -201.675
Base-Backbone interact. energy: -0.844
local terms energy: -261.315652
where:
bonds (distance) C4'-P energy: -51.371
bonds (distance) P-C4' energy: -68.686
flat angles C4'-P-C4' energy: -55.701
flat angles P-C4'-P energy: -39.300
tors. eta vs tors. theta energy: -46.257
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 361
Temperature: 1.150000
Total energy: -497.067938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.067938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.067938 (E_RNA)
where:
Base-Base interactions energy: -256.024
where: short stacking energy: -153.282
Base-Backbone interact. energy: 1.076
local terms energy: -242.120557
where:
bonds (distance) C4'-P energy: -68.545
bonds (distance) P-C4' energy: -65.112
flat angles C4'-P-C4' energy: -49.845
flat angles P-C4'-P energy: -40.299
tors. eta vs tors. theta energy: -18.320
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 361
Temperature: 1.200000
Total energy: -330.108462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.108462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.108462 (E_RNA)
where:
Base-Base interactions energy: -104.112
where: short stacking energy: -84.893
Base-Backbone interact. energy: -2.610
local terms energy: -223.385938
where:
bonds (distance) C4'-P energy: -67.988
bonds (distance) P-C4' energy: -60.877
flat angles C4'-P-C4' energy: -66.483
flat angles P-C4'-P energy: -35.281
tors. eta vs tors. theta energy: 7.243
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: 10
=====================================
Write number: 361
Temperature: 1.250000
Total energy: -343.031004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.031004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.031004 (E_RNA)
where:
Base-Base interactions energy: -133.618
where: short stacking energy: -96.664
Base-Backbone interact. energy: 1.521
local terms energy: -210.934054
where:
bonds (distance) C4'-P energy: -57.257
bonds (distance) P-C4' energy: -52.347
flat angles C4'-P-C4' energy: -58.215
flat angles P-C4'-P energy: -41.473
tors. eta vs tors. theta energy: -1.642
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 361
Temperature: 1.300000
Total energy: -271.202425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.202425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.202425 (E_RNA)
where:
Base-Base interactions energy: -83.704
where: short stacking energy: -68.343
Base-Backbone interact. energy: -1.844
local terms energy: -185.654408
where:
bonds (distance) C4'-P energy: -52.554
bonds (distance) P-C4' energy: -58.474
flat angles C4'-P-C4' energy: -45.968
flat angles P-C4'-P energy: -33.739
tors. eta vs tors. theta energy: 5.081
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 361
Temperature: 1.350000
Total energy: -253.677851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.677851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.677851 (E_RNA)
where:
Base-Base interactions energy: -76.599
where: short stacking energy: -52.185
Base-Backbone interact. energy: -1.374
local terms energy: -175.704667
where:
bonds (distance) C4'-P energy: -54.335
bonds (distance) P-C4' energy: -55.347
flat angles C4'-P-C4' energy: -54.887
flat angles P-C4'-P energy: -28.380
tors. eta vs tors. theta energy: 17.244
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 362
Temperature: 0.900000
Total energy: -1136.050347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1136.050347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1136.050347 (E_RNA)
where:
Base-Base interactions energy: -746.392
where: short stacking energy: -340.125
Base-Backbone interact. energy: -0.233
local terms energy: -389.426023
where:
bonds (distance) C4'-P energy: -70.954
bonds (distance) P-C4' energy: -73.544
flat angles C4'-P-C4' energy: -82.004
flat angles P-C4'-P energy: -51.165
tors. eta vs tors. theta energy: -111.759
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: 1
=====================================
Write number: 362
Temperature: 0.950000
Total energy: -1020.641513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1020.641513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1020.641513 (E_RNA)
where:
Base-Base interactions energy: -689.100
where: short stacking energy: -298.489
Base-Backbone interact. energy: -1.219
local terms energy: -330.322942
where:
bonds (distance) C4'-P energy: -60.149
bonds (distance) P-C4' energy: -69.035
flat angles C4'-P-C4' energy: -69.586
flat angles P-C4'-P energy: -40.020
tors. eta vs tors. theta energy: -91.534
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: 5
=====================================
Write number: 362
Temperature: 1.000000
Total energy: -950.576681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -950.576681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -950.576681 (E_RNA)
where:
Base-Base interactions energy: -616.248
where: short stacking energy: -299.984
Base-Backbone interact. energy: -1.523
local terms energy: -332.805295
where:
bonds (distance) C4'-P energy: -65.399
bonds (distance) P-C4' energy: -70.924
flat angles C4'-P-C4' energy: -68.196
flat angles P-C4'-P energy: -41.254
tors. eta vs tors. theta energy: -87.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 362
Temperature: 1.050000
Total energy: -839.161217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -839.161217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -839.161217 (E_RNA)
where:
Base-Base interactions energy: -530.173
where: short stacking energy: -247.530
Base-Backbone interact. energy: -0.749
local terms energy: -308.239830
where:
bonds (distance) C4'-P energy: -53.918
bonds (distance) P-C4' energy: -63.736
flat angles C4'-P-C4' energy: -70.367
flat angles P-C4'-P energy: -49.658
tors. eta vs tors. theta energy: -70.560
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: 6
=====================================
Write number: 362
Temperature: 1.100000
Total energy: -636.171590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -636.171590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -636.171590 (E_RNA)
where:
Base-Base interactions energy: -369.785
where: short stacking energy: -173.822
Base-Backbone interact. energy: -0.911
local terms energy: -265.475917
where:
bonds (distance) C4'-P energy: -50.920
bonds (distance) P-C4' energy: -63.829
flat angles C4'-P-C4' energy: -63.277
flat angles P-C4'-P energy: -49.152
tors. eta vs tors. theta energy: -38.299
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 362
Temperature: 1.150000
Total energy: -488.951084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.951084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.951084 (E_RNA)
where:
Base-Base interactions energy: -255.755
where: short stacking energy: -151.057
Base-Backbone interact. energy: -2.161
local terms energy: -231.035359
where:
bonds (distance) C4'-P energy: -54.914
bonds (distance) P-C4' energy: -63.292
flat angles C4'-P-C4' energy: -53.444
flat angles P-C4'-P energy: -27.740
tors. eta vs tors. theta energy: -31.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 362
Temperature: 1.200000
Total energy: -355.002797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.002797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.002797 (E_RNA)
where:
Base-Base interactions energy: -156.683
where: short stacking energy: -99.040
Base-Backbone interact. energy: 0.155
local terms energy: -198.475410
where:
bonds (distance) C4'-P energy: -39.545
bonds (distance) P-C4' energy: -79.159
flat angles C4'-P-C4' energy: -56.981
flat angles P-C4'-P energy: -34.046
tors. eta vs tors. theta energy: 11.256
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: 9
=====================================
Write number: 362
Temperature: 1.250000
Total energy: -312.008779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.008779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.008779 (E_RNA)
where:
Base-Base interactions energy: -87.146
where: short stacking energy: -73.465
Base-Backbone interact. energy: -1.589
local terms energy: -223.274265
where:
bonds (distance) C4'-P energy: -67.023
bonds (distance) P-C4' energy: -59.840
flat angles C4'-P-C4' energy: -64.115
flat angles P-C4'-P energy: -43.327
tors. eta vs tors. theta energy: 11.031
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 362
Temperature: 1.300000
Total energy: -284.707005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.707005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.707005 (E_RNA)
where:
Base-Base interactions energy: -88.966
where: short stacking energy: -77.132
Base-Backbone interact. energy: -0.041
local terms energy: -195.699635
where:
bonds (distance) C4'-P energy: -61.037
bonds (distance) P-C4' energy: -60.996
flat angles C4'-P-C4' energy: -50.899
flat angles P-C4'-P energy: -30.892
tors. eta vs tors. theta energy: 8.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 362
Temperature: 1.350000
Total energy: -269.749939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.749939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.749939 (E_RNA)
where:
Base-Base interactions energy: -76.466
where: short stacking energy: -59.773
Base-Backbone interact. energy: 6.042
local terms energy: -199.325388
where:
bonds (distance) C4'-P energy: -61.472
bonds (distance) P-C4' energy: -64.885
flat angles C4'-P-C4' energy: -51.154
flat angles P-C4'-P energy: -30.964
tors. eta vs tors. theta energy: 9.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 363
Temperature: 0.900000
Total energy: -1135.125105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1135.125105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1135.125105 (E_RNA)
where:
Base-Base interactions energy: -764.063
where: short stacking energy: -349.566
Base-Backbone interact. energy: -0.633
local terms energy: -370.429754
where:
bonds (distance) C4'-P energy: -61.685
bonds (distance) P-C4' energy: -68.938
flat angles C4'-P-C4' energy: -74.912
flat angles P-C4'-P energy: -49.431
tors. eta vs tors. theta energy: -115.464
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 363
Temperature: 0.950000
Total energy: -1014.921660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1014.921660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1014.921660 (E_RNA)
where:
Base-Base interactions energy: -675.117
where: short stacking energy: -308.441
Base-Backbone interact. energy: -0.710
local terms energy: -339.094813
where:
bonds (distance) C4'-P energy: -66.826
bonds (distance) P-C4' energy: -65.037
flat angles C4'-P-C4' energy: -73.510
flat angles P-C4'-P energy: -39.669
tors. eta vs tors. theta energy: -94.053
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: 5
=====================================
Write number: 363
Temperature: 1.000000
Total energy: -918.331783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -918.331783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -918.331783 (E_RNA)
where:
Base-Base interactions energy: -594.062
where: short stacking energy: -296.204
Base-Backbone interact. energy: 2.409
local terms energy: -326.678072
where:
bonds (distance) C4'-P energy: -54.599
bonds (distance) P-C4' energy: -70.146
flat angles C4'-P-C4' energy: -70.679
flat angles P-C4'-P energy: -30.890
tors. eta vs tors. theta energy: -100.364
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: 3
=====================================
Write number: 363
Temperature: 1.050000
Total energy: -814.484018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -814.484018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -814.484018 (E_RNA)
where:
Base-Base interactions energy: -504.284
where: short stacking energy: -244.163
Base-Backbone interact. energy: 0.664
local terms energy: -310.863981
where:
bonds (distance) C4'-P energy: -60.242
bonds (distance) P-C4' energy: -58.864
flat angles C4'-P-C4' energy: -68.246
flat angles P-C4'-P energy: -48.713
tors. eta vs tors. theta energy: -74.800
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 363
Temperature: 1.100000
Total energy: -622.267824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -622.267824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -622.267824 (E_RNA)
where:
Base-Base interactions energy: -362.712
where: short stacking energy: -168.405
Base-Backbone interact. energy: -0.461
local terms energy: -259.094595
where:
bonds (distance) C4'-P energy: -65.574
bonds (distance) P-C4' energy: -68.122
flat angles C4'-P-C4' energy: -61.483
flat angles P-C4'-P energy: -33.063
tors. eta vs tors. theta energy: -30.853
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 363
Temperature: 1.150000
Total energy: -447.135288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -447.135288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -447.135288 (E_RNA)
where:
Base-Base interactions energy: -208.575
where: short stacking energy: -109.199
Base-Backbone interact. energy: -1.693
local terms energy: -236.867653
where:
bonds (distance) C4'-P energy: -61.133
bonds (distance) P-C4' energy: -72.209
flat angles C4'-P-C4' energy: -67.692
flat angles P-C4'-P energy: -28.301
tors. eta vs tors. theta energy: -7.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 363
Temperature: 1.200000
Total energy: -322.457271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.457271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.457271 (E_RNA)
where:
Base-Base interactions energy: -129.554
where: short stacking energy: -85.894
Base-Backbone interact. energy: -2.120
local terms energy: -190.783435
where:
bonds (distance) C4'-P energy: -49.790
bonds (distance) P-C4' energy: -58.808
flat angles C4'-P-C4' energy: -60.884
flat angles P-C4'-P energy: -32.454
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: 8, replica: 8
=====================================
Write number: 363
Temperature: 1.250000
Total energy: -311.555706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.555706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.555706 (E_RNA)
where:
Base-Base interactions energy: -105.691
where: short stacking energy: -78.927
Base-Backbone interact. energy: 2.329
local terms energy: -208.193302
where:
bonds (distance) C4'-P energy: -61.571
bonds (distance) P-C4' energy: -63.118
flat angles C4'-P-C4' energy: -54.368
flat angles P-C4'-P energy: -31.100
tors. eta vs tors. theta energy: 1.964
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 363
Temperature: 1.300000
Total energy: -286.090897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.090897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.090897 (E_RNA)
where:
Base-Base interactions energy: -92.624
where: short stacking energy: -85.083
Base-Backbone interact. energy: 0.393
local terms energy: -193.860545
where:
bonds (distance) C4'-P energy: -45.140
bonds (distance) P-C4' energy: -61.030
flat angles C4'-P-C4' energy: -50.617
flat angles P-C4'-P energy: -33.307
tors. eta vs tors. theta energy: -3.767
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: 2
=====================================
Write number: 363
Temperature: 1.350000
Total energy: -270.426015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.426015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.426015 (E_RNA)
where:
Base-Base interactions energy: -85.990
where: short stacking energy: -51.287
Base-Backbone interact. energy: 3.936
local terms energy: -188.372600
where:
bonds (distance) C4'-P energy: -64.985
bonds (distance) P-C4' energy: -49.909
flat angles C4'-P-C4' energy: -46.392
flat angles P-C4'-P energy: -34.764
tors. eta vs tors. theta energy: 7.678
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: 4
=====================================
Write number: 364
Temperature: 0.900000
Total energy: -1117.390241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1117.390241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1117.390241 (E_RNA)
where:
Base-Base interactions energy: -744.525
where: short stacking energy: -324.322
Base-Backbone interact. energy: -0.249
local terms energy: -372.616147
where:
bonds (distance) C4'-P energy: -69.682
bonds (distance) P-C4' energy: -66.149
flat angles C4'-P-C4' energy: -71.550
flat angles P-C4'-P energy: -55.280
tors. eta vs tors. theta energy: -109.955
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 364
Temperature: 0.950000
Total energy: -1019.299285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1019.299285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1019.299285 (E_RNA)
where:
Base-Base interactions energy: -669.925
where: short stacking energy: -301.527
Base-Backbone interact. energy: -1.292
local terms energy: -348.082622
where:
bonds (distance) C4'-P energy: -69.432
bonds (distance) P-C4' energy: -71.920
flat angles C4'-P-C4' energy: -73.075
flat angles P-C4'-P energy: -44.019
tors. eta vs tors. theta energy: -89.637
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 364
Temperature: 1.000000
Total energy: -951.281818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -951.281818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -951.281818 (E_RNA)
where:
Base-Base interactions energy: -618.487
where: short stacking energy: -313.586
Base-Backbone interact. energy: -0.432
local terms energy: -332.362733
where:
bonds (distance) C4'-P energy: -53.130
bonds (distance) P-C4' energy: -57.523
flat angles C4'-P-C4' energy: -75.505
flat angles P-C4'-P energy: -47.927
tors. eta vs tors. theta energy: -98.278
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 364
Temperature: 1.050000
Total energy: -863.732055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -863.732055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -863.732055 (E_RNA)
where:
Base-Base interactions energy: -539.710
where: short stacking energy: -240.558
Base-Backbone interact. energy: 1.003
local terms energy: -325.024819
where:
bonds (distance) C4'-P energy: -60.142
bonds (distance) P-C4' energy: -64.008
flat angles C4'-P-C4' energy: -74.830
flat angles P-C4'-P energy: -48.229
tors. eta vs tors. theta energy: -77.816
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: 5, replica: 6
=====================================
Write number: 364
Temperature: 1.100000
Total energy: -627.238801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -627.238801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -627.238801 (E_RNA)
where:
Base-Base interactions energy: -370.516
where: short stacking energy: -169.813
Base-Backbone interact. energy: 5.252
local terms energy: -261.975186
where:
bonds (distance) C4'-P energy: -56.704
bonds (distance) P-C4' energy: -58.643
flat angles C4'-P-C4' energy: -63.950
flat angles P-C4'-P energy: -45.251
tors. eta vs tors. theta energy: -37.427
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 364
Temperature: 1.150000
Total energy: -457.070547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -457.070547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -457.070547 (E_RNA)
where:
Base-Base interactions energy: -215.727
where: short stacking energy: -129.160
Base-Backbone interact. energy: 2.136
local terms energy: -243.479442
where:
bonds (distance) C4'-P energy: -59.908
bonds (distance) P-C4' energy: -63.989
flat angles C4'-P-C4' energy: -66.193
flat angles P-C4'-P energy: -42.369
tors. eta vs tors. theta energy: -11.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 364
Temperature: 1.200000
Total energy: -343.604857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.604857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.604857 (E_RNA)
where:
Base-Base interactions energy: -128.585
where: short stacking energy: -96.797
Base-Backbone interact. energy: 5.241
local terms energy: -220.260863
where:
bonds (distance) C4'-P energy: -60.130
bonds (distance) P-C4' energy: -65.461
flat angles C4'-P-C4' energy: -61.802
flat angles P-C4'-P energy: -28.986
tors. eta vs tors. theta energy: -3.882
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 364
Temperature: 1.250000
Total energy: -343.177300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.177300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.177300 (E_RNA)
where:
Base-Base interactions energy: -151.909
where: short stacking energy: -96.530
Base-Backbone interact. energy: 3.069
local terms energy: -194.337066
where:
bonds (distance) C4'-P energy: -61.413
bonds (distance) P-C4' energy: -54.866
flat angles C4'-P-C4' energy: -55.290
flat angles P-C4'-P energy: -26.418
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: 9, replica: 2
=====================================
Write number: 364
Temperature: 1.300000
Total energy: -315.176091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.176091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.176091 (E_RNA)
where:
Base-Base interactions energy: -121.085
where: short stacking energy: -86.400
Base-Backbone interact. energy: -0.362
local terms energy: -193.729012
where:
bonds (distance) C4'-P energy: -59.748
bonds (distance) P-C4' energy: -62.732
flat angles C4'-P-C4' energy: -53.886
flat angles P-C4'-P energy: -30.666
tors. eta vs tors. theta energy: 13.303
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 364
Temperature: 1.350000
Total energy: -284.388056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.388056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.388056 (E_RNA)
where:
Base-Base interactions energy: -99.970
where: short stacking energy: -83.571
Base-Backbone interact. energy: 0.282
local terms energy: -184.700001
where:
bonds (distance) C4'-P energy: -53.603
bonds (distance) P-C4' energy: -60.879
flat angles C4'-P-C4' energy: -47.381
flat angles P-C4'-P energy: -26.830
tors. eta vs tors. theta energy: 3.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 365
Temperature: 0.900000
Total energy: -1124.151863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1124.151863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1124.151863 (E_RNA)
where:
Base-Base interactions energy: -756.379
where: short stacking energy: -323.673
Base-Backbone interact. energy: 0.735
local terms energy: -368.507741
where:
bonds (distance) C4'-P energy: -75.035
bonds (distance) P-C4' energy: -73.603
flat angles C4'-P-C4' energy: -74.513
flat angles P-C4'-P energy: -41.189
tors. eta vs tors. theta energy: -104.168
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 365
Temperature: 0.950000
Total energy: -1012.104339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1012.104339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1012.104339 (E_RNA)
where:
Base-Base interactions energy: -645.066
where: short stacking energy: -278.073
Base-Backbone interact. energy: -2.097
local terms energy: -364.940966
where:
bonds (distance) C4'-P energy: -76.387
bonds (distance) P-C4' energy: -64.894
flat angles C4'-P-C4' energy: -82.068
flat angles P-C4'-P energy: -50.842
tors. eta vs tors. theta energy: -90.750
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 365
Temperature: 1.000000
Total energy: -939.386454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -939.386454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -939.386454 (E_RNA)
where:
Base-Base interactions energy: -575.786
where: short stacking energy: -308.028
Base-Backbone interact. energy: -1.240
local terms energy: -362.360514
where:
bonds (distance) C4'-P energy: -77.811
bonds (distance) P-C4' energy: -67.039
flat angles C4'-P-C4' energy: -61.962
flat angles P-C4'-P energy: -54.701
tors. eta vs tors. theta energy: -100.848
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 365
Temperature: 1.050000
Total energy: -879.617522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -879.617522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -879.617522 (E_RNA)
where:
Base-Base interactions energy: -543.093
where: short stacking energy: -255.924
Base-Backbone interact. energy: -1.388
local terms energy: -335.136259
where:
bonds (distance) C4'-P energy: -59.513
bonds (distance) P-C4' energy: -68.893
flat angles C4'-P-C4' energy: -66.449
flat angles P-C4'-P energy: -57.568
tors. eta vs tors. theta energy: -82.712
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: 6
=====================================
Write number: 365
Temperature: 1.100000
Total energy: -580.659386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -580.659386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -580.659386 (E_RNA)
where:
Base-Base interactions energy: -326.387
where: short stacking energy: -181.537
Base-Backbone interact. energy: -1.535
local terms energy: -252.737522
where:
bonds (distance) C4'-P energy: -60.027
bonds (distance) P-C4' energy: -58.701
flat angles C4'-P-C4' energy: -67.455
flat angles P-C4'-P energy: -39.987
tors. eta vs tors. theta energy: -26.568
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: 7
=====================================
Write number: 365
Temperature: 1.150000
Total energy: -459.042094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -459.042094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -459.042094 (E_RNA)
where:
Base-Base interactions energy: -239.673
where: short stacking energy: -141.848
Base-Backbone interact. energy: 1.371
local terms energy: -220.740074
where:
bonds (distance) C4'-P energy: -56.694
bonds (distance) P-C4' energy: -61.250
flat angles C4'-P-C4' energy: -52.201
flat angles P-C4'-P energy: -32.653
tors. eta vs tors. theta energy: -17.942
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 365
Temperature: 1.200000
Total energy: -354.619520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.619520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.619520 (E_RNA)
where:
Base-Base interactions energy: -148.191
where: short stacking energy: -114.885
Base-Backbone interact. energy: -0.393
local terms energy: -206.034961
where:
bonds (distance) C4'-P energy: -57.418
bonds (distance) P-C4' energy: -68.521
flat angles C4'-P-C4' energy: -55.151
flat angles P-C4'-P energy: -22.134
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: 8, replica: 8
=====================================
Write number: 365
Temperature: 1.250000
Total energy: -326.900575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.900575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.900575 (E_RNA)
where:
Base-Base interactions energy: -125.703
where: short stacking energy: -75.325
Base-Backbone interact. energy: 0.505
local terms energy: -201.701938
where:
bonds (distance) C4'-P energy: -58.593
bonds (distance) P-C4' energy: -54.824
flat angles C4'-P-C4' energy: -51.695
flat angles P-C4'-P energy: -41.453
tors. eta vs tors. theta energy: 4.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 365
Temperature: 1.300000
Total energy: -275.020168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.020168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.020168 (E_RNA)
where:
Base-Base interactions energy: -74.389
where: short stacking energy: -57.347
Base-Backbone interact. energy: 1.746
local terms energy: -202.377476
where:
bonds (distance) C4'-P energy: -59.137
bonds (distance) P-C4' energy: -63.417
flat angles C4'-P-C4' energy: -50.895
flat angles P-C4'-P energy: -38.172
tors. eta vs tors. theta energy: 9.243
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 365
Temperature: 1.350000
Total energy: -273.749940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.749940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.749940 (E_RNA)
where:
Base-Base interactions energy: -95.653
where: short stacking energy: -57.095
Base-Backbone interact. energy: -2.058
local terms energy: -176.038523
where:
bonds (distance) C4'-P energy: -53.003
bonds (distance) P-C4' energy: -63.942
flat angles C4'-P-C4' energy: -46.547
flat angles P-C4'-P energy: -33.881
tors. eta vs tors. theta energy: 21.335
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: 4
=====================================
Write number: 366
Temperature: 0.900000
Total energy: -1120.160337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1120.160337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1120.160337 (E_RNA)
where:
Base-Base interactions energy: -744.759
where: short stacking energy: -325.421
Base-Backbone interact. energy: 0.999
local terms energy: -376.400799
where:
bonds (distance) C4'-P energy: -72.083
bonds (distance) P-C4' energy: -61.680
flat angles C4'-P-C4' energy: -75.568
flat angles P-C4'-P energy: -54.073
tors. eta vs tors. theta energy: -112.996
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 366
Temperature: 0.950000
Total energy: -1045.774382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1045.774382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1045.774382 (E_RNA)
where:
Base-Base interactions energy: -692.787
where: short stacking energy: -289.371
Base-Backbone interact. energy: 2.065
local terms energy: -355.051823
where:
bonds (distance) C4'-P energy: -69.072
bonds (distance) P-C4' energy: -77.120
flat angles C4'-P-C4' energy: -67.779
flat angles P-C4'-P energy: -45.515
tors. eta vs tors. theta energy: -95.566
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 366
Temperature: 1.000000
Total energy: -957.654160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -957.654160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -957.654160 (E_RNA)
where:
Base-Base interactions energy: -615.464
where: short stacking energy: -312.788
Base-Backbone interact. energy: -1.902
local terms energy: -340.287311
where:
bonds (distance) C4'-P energy: -63.360
bonds (distance) P-C4' energy: -61.575
flat angles C4'-P-C4' energy: -68.853
flat angles P-C4'-P energy: -48.971
tors. eta vs tors. theta energy: -97.527
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 366
Temperature: 1.050000
Total energy: -871.823967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -871.823967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -871.823967 (E_RNA)
where:
Base-Base interactions energy: -556.614
where: short stacking energy: -260.097
Base-Backbone interact. energy: -0.313
local terms energy: -314.896755
where:
bonds (distance) C4'-P energy: -59.829
bonds (distance) P-C4' energy: -54.798
flat angles C4'-P-C4' energy: -69.463
flat angles P-C4'-P energy: -48.939
tors. eta vs tors. theta energy: -81.867
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 366
Temperature: 1.100000
Total energy: -609.491960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -609.491960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -609.491960 (E_RNA)
where:
Base-Base interactions energy: -345.718
where: short stacking energy: -172.400
Base-Backbone interact. energy: -0.093
local terms energy: -263.680337
where:
bonds (distance) C4'-P energy: -69.631
bonds (distance) P-C4' energy: -50.582
flat angles C4'-P-C4' energy: -69.841
flat angles P-C4'-P energy: -35.528
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: 6, replica: 7
=====================================
Write number: 366
Temperature: 1.150000
Total energy: -478.227104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.227104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -478.227104 (E_RNA)
where:
Base-Base interactions energy: -234.104
where: short stacking energy: -131.498
Base-Backbone interact. energy: -0.161
local terms energy: -243.963062
where:
bonds (distance) C4'-P energy: -63.283
bonds (distance) P-C4' energy: -58.476
flat angles C4'-P-C4' energy: -65.180
flat angles P-C4'-P energy: -37.432
tors. eta vs tors. theta energy: -19.592
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: 366
Temperature: 1.200000
Total energy: -354.279159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.279159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.279159 (E_RNA)
where:
Base-Base interactions energy: -125.571
where: short stacking energy: -99.361
Base-Backbone interact. energy: -0.645
local terms energy: -228.063800
where:
bonds (distance) C4'-P energy: -71.404
bonds (distance) P-C4' energy: -63.986
flat angles C4'-P-C4' energy: -58.453
flat angles P-C4'-P energy: -30.233
tors. eta vs tors. theta energy: -3.987
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 366
Temperature: 1.250000
Total energy: -340.129989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.129989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.129989 (E_RNA)
where:
Base-Base interactions energy: -120.440
where: short stacking energy: -78.532
Base-Backbone interact. energy: -1.272
local terms energy: -218.418655
where:
bonds (distance) C4'-P energy: -66.119
bonds (distance) P-C4' energy: -66.386
flat angles C4'-P-C4' energy: -55.829
flat angles P-C4'-P energy: -39.238
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: 9
=====================================
Write number: 366
Temperature: 1.300000
Total energy: -290.028618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.028618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.028618 (E_RNA)
where:
Base-Base interactions energy: -86.304
where: short stacking energy: -55.791
Base-Backbone interact. energy: -0.473
local terms energy: -203.251495
where:
bonds (distance) C4'-P energy: -59.258
bonds (distance) P-C4' energy: -70.576
flat angles C4'-P-C4' energy: -51.980
flat angles P-C4'-P energy: -49.466
tors. eta vs tors. theta energy: 28.028
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: 2
=====================================
Write number: 366
Temperature: 1.350000
Total energy: -303.149547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.149547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.149547 (E_RNA)
where:
Base-Base interactions energy: -84.575
where: short stacking energy: -63.897
Base-Backbone interact. energy: -1.629
local terms energy: -216.945096
where:
bonds (distance) C4'-P energy: -61.492
bonds (distance) P-C4' energy: -69.396
flat angles C4'-P-C4' energy: -69.971
flat angles P-C4'-P energy: -26.436
tors. eta vs tors. theta energy: 10.349
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 367
Temperature: 0.900000
Total energy: -1121.667615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1121.667615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1121.667615 (E_RNA)
where:
Base-Base interactions energy: -759.798
where: short stacking energy: -339.811
Base-Backbone interact. energy: 0.827
local terms energy: -362.697115
where:
bonds (distance) C4'-P energy: -65.827
bonds (distance) P-C4' energy: -69.953
flat angles C4'-P-C4' energy: -74.352
flat angles P-C4'-P energy: -42.605
tors. eta vs tors. theta energy: -109.961
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 367
Temperature: 0.950000
Total energy: -1035.557035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1035.557035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1035.557035 (E_RNA)
where:
Base-Base interactions energy: -680.039
where: short stacking energy: -326.920
Base-Backbone interact. energy: -0.892
local terms energy: -354.626204
where:
bonds (distance) C4'-P energy: -68.426
bonds (distance) P-C4' energy: -67.139
flat angles C4'-P-C4' energy: -71.537
flat angles P-C4'-P energy: -43.677
tors. eta vs tors. theta energy: -103.846
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 367
Temperature: 1.000000
Total energy: -931.036665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -931.036665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -931.036665 (E_RNA)
where:
Base-Base interactions energy: -591.522
where: short stacking energy: -277.617
Base-Backbone interact. energy: -1.579
local terms energy: -337.935289
where:
bonds (distance) C4'-P energy: -64.098
bonds (distance) P-C4' energy: -62.450
flat angles C4'-P-C4' energy: -66.720
flat angles P-C4'-P energy: -54.329
tors. eta vs tors. theta energy: -90.339
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: 3
=====================================
Write number: 367
Temperature: 1.050000
Total energy: -856.944989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -856.944989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -856.944989 (E_RNA)
where:
Base-Base interactions energy: -536.863
where: short stacking energy: -250.553
Base-Backbone interact. energy: 0.200
local terms energy: -320.281483
where:
bonds (distance) C4'-P energy: -68.000
bonds (distance) P-C4' energy: -64.539
flat angles C4'-P-C4' energy: -61.715
flat angles P-C4'-P energy: -43.957
tors. eta vs tors. theta energy: -82.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 367
Temperature: 1.100000
Total energy: -625.506267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -625.506267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -625.506267 (E_RNA)
where:
Base-Base interactions energy: -359.136
where: short stacking energy: -166.107
Base-Backbone interact. energy: 0.798
local terms energy: -267.167718
where:
bonds (distance) C4'-P energy: -62.991
bonds (distance) P-C4' energy: -72.797
flat angles C4'-P-C4' energy: -53.720
flat angles P-C4'-P energy: -42.873
tors. eta vs tors. theta energy: -34.787
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: 7
=====================================
Write number: 367
Temperature: 1.150000
Total energy: -533.139192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.139192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.139192 (E_RNA)
where:
Base-Base interactions energy: -280.503
where: short stacking energy: -158.733
Base-Backbone interact. energy: -0.968
local terms energy: -251.667614
where:
bonds (distance) C4'-P energy: -56.280
bonds (distance) P-C4' energy: -63.662
flat angles C4'-P-C4' energy: -58.035
flat angles P-C4'-P energy: -42.180
tors. eta vs tors. theta energy: -31.511
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 367
Temperature: 1.200000
Total energy: -368.678689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.678689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.678689 (E_RNA)
where:
Base-Base interactions energy: -154.937
where: short stacking energy: -94.955
Base-Backbone interact. energy: 1.130
local terms energy: -214.872604
where:
bonds (distance) C4'-P energy: -66.855
bonds (distance) P-C4' energy: -68.796
flat angles C4'-P-C4' energy: -49.134
flat angles P-C4'-P energy: -42.209
tors. eta vs tors. theta energy: 12.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 367
Temperature: 1.250000
Total energy: -315.715923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.715923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.715923 (E_RNA)
where:
Base-Base interactions energy: -106.598
where: short stacking energy: -70.908
Base-Backbone interact. energy: -0.410
local terms energy: -208.708300
where:
bonds (distance) C4'-P energy: -60.733
bonds (distance) P-C4' energy: -71.009
flat angles C4'-P-C4' energy: -52.487
flat angles P-C4'-P energy: -21.819
tors. eta vs tors. theta energy: -2.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 367
Temperature: 1.300000
Total energy: -282.922731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.922731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.922731 (E_RNA)
where:
Base-Base interactions energy: -87.944
where: short stacking energy: -71.950
Base-Backbone interact. energy: 1.216
local terms energy: -196.194568
where:
bonds (distance) C4'-P energy: -58.084
bonds (distance) P-C4' energy: -55.415
flat angles C4'-P-C4' energy: -52.288
flat angles P-C4'-P energy: -40.048
tors. eta vs tors. theta energy: 9.640
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 367
Temperature: 1.350000
Total energy: -275.829987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.829987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.829987 (E_RNA)
where:
Base-Base interactions energy: -85.047
where: short stacking energy: -72.315
Base-Backbone interact. energy: -2.518
local terms energy: -188.265636
where:
bonds (distance) C4'-P energy: -53.729
bonds (distance) P-C4' energy: -52.497
flat angles C4'-P-C4' energy: -44.830
flat angles P-C4'-P energy: -44.849
tors. eta vs tors. theta energy: 7.640
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 368
Temperature: 0.900000
Total energy: -1106.855263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1106.855263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1106.855263 (E_RNA)
where:
Base-Base interactions energy: -741.479
where: short stacking energy: -320.585
Base-Backbone interact. energy: -0.884
local terms energy: -364.491963
where:
bonds (distance) C4'-P energy: -59.686
bonds (distance) P-C4' energy: -69.263
flat angles C4'-P-C4' energy: -62.518
flat angles P-C4'-P energy: -64.493
tors. eta vs tors. theta energy: -108.531
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: 1
=====================================
Write number: 368
Temperature: 0.950000
Total energy: -1047.697696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1047.697696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1047.697696 (E_RNA)
where:
Base-Base interactions energy: -694.677
where: short stacking energy: -303.899
Base-Backbone interact. energy: -1.840
local terms energy: -351.180939
where:
bonds (distance) C4'-P energy: -62.413
bonds (distance) P-C4' energy: -69.170
flat angles C4'-P-C4' energy: -72.748
flat angles P-C4'-P energy: -47.276
tors. eta vs tors. theta energy: -99.574
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: 5
=====================================
Write number: 368
Temperature: 1.000000
Total energy: -918.811786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -918.811786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -918.811786 (E_RNA)
where:
Base-Base interactions energy: -584.281
where: short stacking energy: -286.578
Base-Backbone interact. energy: -0.978
local terms energy: -333.552822
where:
bonds (distance) C4'-P energy: -57.913
bonds (distance) P-C4' energy: -64.485
flat angles C4'-P-C4' energy: -75.920
flat angles P-C4'-P energy: -40.640
tors. eta vs tors. theta energy: -94.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 368
Temperature: 1.050000
Total energy: -857.234763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -857.234763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -857.234763 (E_RNA)
where:
Base-Base interactions energy: -528.588
where: short stacking energy: -242.373
Base-Backbone interact. energy: -0.673
local terms energy: -327.973884
where:
bonds (distance) C4'-P energy: -59.432
bonds (distance) P-C4' energy: -74.875
flat angles C4'-P-C4' energy: -65.111
flat angles P-C4'-P energy: -42.447
tors. eta vs tors. theta energy: -86.109
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: 7
=====================================
Write number: 368
Temperature: 1.100000
Total energy: -570.613585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -570.613585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -570.613585 (E_RNA)
where:
Base-Base interactions energy: -301.601
where: short stacking energy: -188.387
Base-Backbone interact. energy: 0.215
local terms energy: -269.227137
where:
bonds (distance) C4'-P energy: -74.157
bonds (distance) P-C4' energy: -51.256
flat angles C4'-P-C4' energy: -70.474
flat angles P-C4'-P energy: -33.850
tors. eta vs tors. theta energy: -39.490
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: 6, replica: 6
=====================================
Write number: 368
Temperature: 1.150000
Total energy: -568.249230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -568.249230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -568.249230 (E_RNA)
where:
Base-Base interactions energy: -309.009
where: short stacking energy: -142.517
Base-Backbone interact. energy: -0.161
local terms energy: -259.079721
where:
bonds (distance) C4'-P energy: -69.024
bonds (distance) P-C4' energy: -63.672
flat angles C4'-P-C4' energy: -51.335
flat angles P-C4'-P energy: -45.061
tors. eta vs tors. theta energy: -29.988
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: 9
=====================================
Write number: 368
Temperature: 1.200000
Total energy: -340.375098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.375098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.375098 (E_RNA)
where:
Base-Base interactions energy: -126.955
where: short stacking energy: -109.779
Base-Backbone interact. energy: -1.511
local terms energy: -211.908821
where:
bonds (distance) C4'-P energy: -58.558
bonds (distance) P-C4' energy: -58.125
flat angles C4'-P-C4' energy: -48.899
flat angles P-C4'-P energy: -37.640
tors. eta vs tors. theta energy: -8.687
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 368
Temperature: 1.250000
Total energy: -325.775256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.775256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.775256 (E_RNA)
where:
Base-Base interactions energy: -107.169
where: short stacking energy: -92.735
Base-Backbone interact. energy: 6.748
local terms energy: -225.354146
where:
bonds (distance) C4'-P energy: -61.144
bonds (distance) P-C4' energy: -65.594
flat angles C4'-P-C4' energy: -56.039
flat angles P-C4'-P energy: -41.615
tors. eta vs tors. theta energy: -0.962
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 368
Temperature: 1.300000
Total energy: -288.153588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.153588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.153588 (E_RNA)
where:
Base-Base interactions energy: -93.927
where: short stacking energy: -64.822
Base-Backbone interact. energy: -0.712
local terms energy: -193.514881
where:
bonds (distance) C4'-P energy: -62.536
bonds (distance) P-C4' energy: -51.747
flat angles C4'-P-C4' energy: -61.861
flat angles P-C4'-P energy: -31.058
tors. eta vs tors. theta energy: 13.687
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 368
Temperature: 1.350000
Total energy: -268.111290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.111290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.111290 (E_RNA)
where:
Base-Base interactions energy: -78.746
where: short stacking energy: -67.183
Base-Backbone interact. energy: 0.915
local terms energy: -190.280235
where:
bonds (distance) C4'-P energy: -55.068
bonds (distance) P-C4' energy: -60.805
flat angles C4'-P-C4' energy: -53.124
flat angles P-C4'-P energy: -31.802
tors. eta vs tors. theta energy: 10.519
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: 4
=====================================
Write number: 369
Temperature: 0.900000
Total energy: -1105.918537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1105.918537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1105.918537 (E_RNA)
where:
Base-Base interactions energy: -732.832
where: short stacking energy: -315.322
Base-Backbone interact. energy: -4.111
local terms energy: -368.975913
where:
bonds (distance) C4'-P energy: -69.275
bonds (distance) P-C4' energy: -61.949
flat angles C4'-P-C4' energy: -73.843
flat angles P-C4'-P energy: -58.732
tors. eta vs tors. theta energy: -105.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 369
Temperature: 0.950000
Total energy: -1032.650059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1032.650059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1032.650059 (E_RNA)
where:
Base-Base interactions energy: -661.551
where: short stacking energy: -299.222
Base-Backbone interact. energy: -1.612
local terms energy: -369.487612
where:
bonds (distance) C4'-P energy: -79.342
bonds (distance) P-C4' energy: -65.313
flat angles C4'-P-C4' energy: -76.795
flat angles P-C4'-P energy: -45.657
tors. eta vs tors. theta energy: -102.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 369
Temperature: 1.000000
Total energy: -891.868929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -891.868929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -891.868929 (E_RNA)
where:
Base-Base interactions energy: -552.493
where: short stacking energy: -269.253
Base-Backbone interact. energy: -1.631
local terms energy: -337.745135
where:
bonds (distance) C4'-P energy: -59.789
bonds (distance) P-C4' energy: -70.645
flat angles C4'-P-C4' energy: -72.506
flat angles P-C4'-P energy: -46.262
tors. eta vs tors. theta energy: -88.542
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: 3
=====================================
Write number: 369
Temperature: 1.050000
Total energy: -853.598622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -853.598622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -853.598622 (E_RNA)
where:
Base-Base interactions energy: -526.766
where: short stacking energy: -248.945
Base-Backbone interact. energy: -1.721
local terms energy: -325.111080
where:
bonds (distance) C4'-P energy: -71.113
bonds (distance) P-C4' energy: -69.104
flat angles C4'-P-C4' energy: -74.418
flat angles P-C4'-P energy: -45.720
tors. eta vs tors. theta energy: -64.756
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: 7
=====================================
Write number: 369
Temperature: 1.100000
Total energy: -561.132738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -561.132738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -561.132738 (E_RNA)
where:
Base-Base interactions energy: -274.127
where: short stacking energy: -156.418
Base-Backbone interact. energy: 0.474
local terms energy: -287.479684
where:
bonds (distance) C4'-P energy: -65.682
bonds (distance) P-C4' energy: -80.235
flat angles C4'-P-C4' energy: -70.115
flat angles P-C4'-P energy: -33.279
tors. eta vs tors. theta energy: -38.169
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: 6
=====================================
Write number: 369
Temperature: 1.150000
Total energy: -607.781741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -607.781741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -607.781741 (E_RNA)
where:
Base-Base interactions energy: -366.533
where: short stacking energy: -164.231
Base-Backbone interact. energy: -2.927
local terms energy: -238.321981
where:
bonds (distance) C4'-P energy: -58.017
bonds (distance) P-C4' energy: -65.148
flat angles C4'-P-C4' energy: -47.564
flat angles P-C4'-P energy: -31.555
tors. eta vs tors. theta energy: -36.038
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: 369
Temperature: 1.200000
Total energy: -339.227812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.227812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.227812 (E_RNA)
where:
Base-Base interactions energy: -132.210
where: short stacking energy: -91.650
Base-Backbone interact. energy: 2.093
local terms energy: -209.111035
where:
bonds (distance) C4'-P energy: -65.706
bonds (distance) P-C4' energy: -58.432
flat angles C4'-P-C4' energy: -53.292
flat angles P-C4'-P energy: -30.944
tors. eta vs tors. theta energy: -0.736
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: 8
=====================================
Write number: 369
Temperature: 1.250000
Total energy: -324.900028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.900028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.900028 (E_RNA)
where:
Base-Base interactions energy: -128.918
where: short stacking energy: -82.392
Base-Backbone interact. energy: -1.148
local terms energy: -194.833951
where:
bonds (distance) C4'-P energy: -64.012
bonds (distance) P-C4' energy: -51.699
flat angles C4'-P-C4' energy: -37.717
flat angles P-C4'-P energy: -41.100
tors. eta vs tors. theta energy: -0.306
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: 10
=====================================
Write number: 369
Temperature: 1.300000
Total energy: -299.535349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.535349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.535349 (E_RNA)
where:
Base-Base interactions energy: -86.034
where: short stacking energy: -71.516
Base-Backbone interact. energy: 0.454
local terms energy: -213.955065
where:
bonds (distance) C4'-P energy: -69.041
bonds (distance) P-C4' energy: -65.611
flat angles C4'-P-C4' energy: -57.380
flat angles P-C4'-P energy: -26.947
tors. eta vs tors. theta energy: 5.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 369
Temperature: 1.350000
Total energy: -286.238106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.238106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.238106 (E_RNA)
where:
Base-Base interactions energy: -86.506
where: short stacking energy: -85.299
Base-Backbone interact. energy: -1.672
local terms energy: -198.059864
where:
bonds (distance) C4'-P energy: -48.461
bonds (distance) P-C4' energy: -62.836
flat angles C4'-P-C4' energy: -48.918
flat angles P-C4'-P energy: -38.152
tors. eta vs tors. theta energy: 0.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 370
Temperature: 0.900000
Total energy: -1095.889593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1095.889593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1095.889593 (E_RNA)
where:
Base-Base interactions energy: -731.494
where: short stacking energy: -325.162
Base-Backbone interact. energy: -0.743
local terms energy: -363.652370
where:
bonds (distance) C4'-P energy: -62.808
bonds (distance) P-C4' energy: -73.482
flat angles C4'-P-C4' energy: -71.623
flat angles P-C4'-P energy: -43.834
tors. eta vs tors. theta energy: -111.905
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 370
Temperature: 0.950000
Total energy: -994.584966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -994.584966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -994.584966 (E_RNA)
where:
Base-Base interactions energy: -642.083
where: short stacking energy: -306.914
Base-Backbone interact. energy: -0.097
local terms energy: -352.405634
where:
bonds (distance) C4'-P energy: -58.635
bonds (distance) P-C4' energy: -78.167
flat angles C4'-P-C4' energy: -69.813
flat angles P-C4'-P energy: -43.732
tors. eta vs tors. theta energy: -102.060
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: 370
Temperature: 1.000000
Total energy: -911.908419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -911.908419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -911.908419 (E_RNA)
where:
Base-Base interactions energy: -567.911
where: short stacking energy: -278.614
Base-Backbone interact. energy: -0.204
local terms energy: -343.793487
where:
bonds (distance) C4'-P energy: -59.273
bonds (distance) P-C4' energy: -75.954
flat angles C4'-P-C4' energy: -74.170
flat angles P-C4'-P energy: -47.361
tors. eta vs tors. theta energy: -87.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 370
Temperature: 1.050000
Total energy: -896.023457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -896.023457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -896.023457 (E_RNA)
where:
Base-Base interactions energy: -577.252
where: short stacking energy: -280.908
Base-Backbone interact. energy: -1.517
local terms energy: -317.254361
where:
bonds (distance) C4'-P energy: -51.435
bonds (distance) P-C4' energy: -57.006
flat angles C4'-P-C4' energy: -74.029
flat angles P-C4'-P energy: -43.104
tors. eta vs tors. theta energy: -91.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 370
Temperature: 1.100000
Total energy: -631.157873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -631.157873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -631.157873 (E_RNA)
where:
Base-Base interactions energy: -372.151
where: short stacking energy: -176.345
Base-Backbone interact. energy: -0.308
local terms energy: -258.698836
where:
bonds (distance) C4'-P energy: -56.881
bonds (distance) P-C4' energy: -66.566
flat angles C4'-P-C4' energy: -63.645
flat angles P-C4'-P energy: -32.978
tors. eta vs tors. theta energy: -38.629
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: 7
=====================================
Write number: 370
Temperature: 1.150000
Total energy: -486.378805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -486.378805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -486.378805 (E_RNA)
where:
Base-Base interactions energy: -255.724
where: short stacking energy: -139.008
Base-Backbone interact. energy: -1.463
local terms energy: -229.191917
where:
bonds (distance) C4'-P energy: -46.782
bonds (distance) P-C4' energy: -60.046
flat angles C4'-P-C4' energy: -60.949
flat angles P-C4'-P energy: -42.001
tors. eta vs tors. theta energy: -19.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 370
Temperature: 1.200000
Total energy: -359.188850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.188850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.188850 (E_RNA)
where:
Base-Base interactions energy: -133.597
where: short stacking energy: -99.978
Base-Backbone interact. energy: 2.007
local terms energy: -227.598707
where:
bonds (distance) C4'-P energy: -57.424
bonds (distance) P-C4' energy: -60.235
flat angles C4'-P-C4' energy: -51.878
flat angles P-C4'-P energy: -40.319
tors. eta vs tors. theta energy: -17.742
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: 9
=====================================
Write number: 370
Temperature: 1.250000
Total energy: -330.556886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.556886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.556886 (E_RNA)
where:
Base-Base interactions energy: -152.052
where: short stacking energy: -107.364
Base-Backbone interact. energy: -0.792
local terms energy: -177.713423
where:
bonds (distance) C4'-P energy: -56.269
bonds (distance) P-C4' energy: -63.142
flat angles C4'-P-C4' energy: -46.754
flat angles P-C4'-P energy: -22.999
tors. eta vs tors. theta energy: 11.451
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: 370
Temperature: 1.300000
Total energy: -287.692449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.692449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.692449 (E_RNA)
where:
Base-Base interactions energy: -85.523
where: short stacking energy: -75.596
Base-Backbone interact. energy: 7.573
local terms energy: -209.742510
where:
bonds (distance) C4'-P energy: -71.264
bonds (distance) P-C4' energy: -65.550
flat angles C4'-P-C4' energy: -57.161
flat angles P-C4'-P energy: -28.783
tors. eta vs tors. theta energy: 13.014
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: 10, replica: 2
=====================================
Write number: 370
Temperature: 1.350000
Total energy: -259.929046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.929046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.929046 (E_RNA)
where:
Base-Base interactions energy: -72.856
where: short stacking energy: -57.796
Base-Backbone interact. energy: -1.305
local terms energy: -185.767849
where:
bonds (distance) C4'-P energy: -54.521
bonds (distance) P-C4' energy: -54.801
flat angles C4'-P-C4' energy: -49.966
flat angles P-C4'-P energy: -37.338
tors. eta vs tors. theta energy: 10.859
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: 1, replica: 4
=====================================
Write number: 371
Temperature: 0.900000
Total energy: -1090.826358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1090.826358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1090.826358 (E_RNA)
where:
Base-Base interactions energy: -721.294
where: short stacking energy: -324.772
Base-Backbone interact. energy: -2.023
local terms energy: -367.509102
where:
bonds (distance) C4'-P energy: -60.654
bonds (distance) P-C4' energy: -70.363
flat angles C4'-P-C4' energy: -86.179
flat angles P-C4'-P energy: -44.051
tors. eta vs tors. theta energy: -106.261
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 371
Temperature: 0.950000
Total energy: -970.166547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -970.166547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -970.166547 (E_RNA)
where:
Base-Base interactions energy: -615.640
where: short stacking energy: -290.136
Base-Backbone interact. energy: -0.051
local terms energy: -354.475536
where:
bonds (distance) C4'-P energy: -72.072
bonds (distance) P-C4' energy: -68.963
flat angles C4'-P-C4' energy: -70.632
flat angles P-C4'-P energy: -55.199
tors. eta vs tors. theta energy: -87.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 371
Temperature: 1.000000
Total energy: -926.228798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -926.228798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -926.228798 (E_RNA)
where:
Base-Base interactions energy: -572.631
where: short stacking energy: -272.893
Base-Backbone interact. energy: -0.968
local terms energy: -352.629975
where:
bonds (distance) C4'-P energy: -60.138
bonds (distance) P-C4' energy: -63.771
flat angles C4'-P-C4' energy: -80.343
flat angles P-C4'-P energy: -54.137
tors. eta vs tors. theta energy: -94.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 371
Temperature: 1.050000
Total energy: -918.361609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -918.361609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -918.361609 (E_RNA)
where:
Base-Base interactions energy: -581.973
where: short stacking energy: -283.166
Base-Backbone interact. energy: 1.464
local terms energy: -337.852397
where:
bonds (distance) C4'-P energy: -69.231
bonds (distance) P-C4' energy: -57.838
flat angles C4'-P-C4' energy: -72.646
flat angles P-C4'-P energy: -47.757
tors. eta vs tors. theta energy: -90.381
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: 6
=====================================
Write number: 371
Temperature: 1.100000
Total energy: -602.720828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -602.720828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -602.720828 (E_RNA)
where:
Base-Base interactions energy: -338.954
where: short stacking energy: -167.774
Base-Backbone interact. energy: -1.455
local terms energy: -262.311755
where:
bonds (distance) C4'-P energy: -51.813
bonds (distance) P-C4' energy: -56.289
flat angles C4'-P-C4' energy: -79.787
flat angles P-C4'-P energy: -39.339
tors. eta vs tors. theta energy: -35.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 371
Temperature: 1.150000
Total energy: -470.159243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -470.159243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -470.159243 (E_RNA)
where:
Base-Base interactions energy: -225.856
where: short stacking energy: -126.481
Base-Backbone interact. energy: -0.735
local terms energy: -243.568488
where:
bonds (distance) C4'-P energy: -67.865
bonds (distance) P-C4' energy: -63.384
flat angles C4'-P-C4' energy: -57.698
flat angles P-C4'-P energy: -35.046
tors. eta vs tors. theta energy: -19.576
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: 8
=====================================
Write number: 371
Temperature: 1.200000
Total energy: -356.047961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.047961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.047961 (E_RNA)
where:
Base-Base interactions energy: -139.649
where: short stacking energy: -95.731
Base-Backbone interact. energy: -0.996
local terms energy: -215.403476
where:
bonds (distance) C4'-P energy: -58.258
bonds (distance) P-C4' energy: -53.909
flat angles C4'-P-C4' energy: -70.680
flat angles P-C4'-P energy: -38.888
tors. eta vs tors. theta energy: 6.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 371
Temperature: 1.250000
Total energy: -320.697407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.697407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.697407 (E_RNA)
where:
Base-Base interactions energy: -116.186
where: short stacking energy: -97.703
Base-Backbone interact. energy: -1.472
local terms energy: -203.039321
where:
bonds (distance) C4'-P energy: -57.253
bonds (distance) P-C4' energy: -51.399
flat angles C4'-P-C4' energy: -57.595
flat angles P-C4'-P energy: -32.087
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: 9, replica: 9
=====================================
Write number: 371
Temperature: 1.300000
Total energy: -282.581352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.581352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.581352 (E_RNA)
where:
Base-Base interactions energy: -95.190
where: short stacking energy: -82.913
Base-Backbone interact. energy: 0.432
local terms energy: -187.823843
where:
bonds (distance) C4'-P energy: -57.079
bonds (distance) P-C4' energy: -65.807
flat angles C4'-P-C4' energy: -44.448
flat angles P-C4'-P energy: -34.158
tors. eta vs tors. theta energy: 13.668
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: 2
=====================================
Write number: 371
Temperature: 1.350000
Total energy: -266.414219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.414219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.414219 (E_RNA)
where:
Base-Base interactions energy: -103.438
where: short stacking energy: -85.917
Base-Backbone interact. energy: 0.799
local terms energy: -163.774724
where:
bonds (distance) C4'-P energy: -52.692
bonds (distance) P-C4' energy: -51.193
flat angles C4'-P-C4' energy: -50.163
flat angles P-C4'-P energy: -24.829
tors. eta vs tors. theta energy: 15.102
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: 4
=====================================
Write number: 372
Temperature: 0.900000
Total energy: -1131.175207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1131.175207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1131.175207 (E_RNA)
where:
Base-Base interactions energy: -739.650
where: short stacking energy: -334.626
Base-Backbone interact. energy: 0.232
local terms energy: -391.757436
where:
bonds (distance) C4'-P energy: -70.811
bonds (distance) P-C4' energy: -75.417
flat angles C4'-P-C4' energy: -80.035
flat angles P-C4'-P energy: -49.071
tors. eta vs tors. theta energy: -116.424
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 372
Temperature: 0.950000
Total energy: -962.878099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -962.878099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -962.878099 (E_RNA)
where:
Base-Base interactions energy: -604.625
where: short stacking energy: -307.219
Base-Backbone interact. energy: -0.448
local terms energy: -357.805116
where:
bonds (distance) C4'-P energy: -60.503
bonds (distance) P-C4' energy: -71.909
flat angles C4'-P-C4' energy: -74.975
flat angles P-C4'-P energy: -54.341
tors. eta vs tors. theta energy: -96.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 372
Temperature: 1.000000
Total energy: -899.340115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -899.340115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -899.340115 (E_RNA)
where:
Base-Base interactions energy: -570.315
where: short stacking energy: -285.554
Base-Backbone interact. energy: -1.126
local terms energy: -327.899162
where:
bonds (distance) C4'-P energy: -61.285
bonds (distance) P-C4' energy: -67.429
flat angles C4'-P-C4' energy: -75.671
flat angles P-C4'-P energy: -34.970
tors. eta vs tors. theta energy: -88.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 372
Temperature: 1.050000
Total energy: -920.639092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -920.639092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -920.639092 (E_RNA)
where:
Base-Base interactions energy: -598.772
where: short stacking energy: -277.321
Base-Backbone interact. energy: 2.333
local terms energy: -324.199254
where:
bonds (distance) C4'-P energy: -59.444
bonds (distance) P-C4' energy: -60.178
flat angles C4'-P-C4' energy: -73.537
flat angles P-C4'-P energy: -46.289
tors. eta vs tors. theta energy: -84.751
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 372
Temperature: 1.100000
Total energy: -586.267144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -586.267144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -586.267144 (E_RNA)
where:
Base-Base interactions energy: -311.585
where: short stacking energy: -181.959
Base-Backbone interact. energy: 0.689
local terms energy: -275.370297
where:
bonds (distance) C4'-P energy: -64.531
bonds (distance) P-C4' energy: -65.816
flat angles C4'-P-C4' energy: -64.457
flat angles P-C4'-P energy: -47.398
tors. eta vs tors. theta energy: -33.169
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 372
Temperature: 1.150000
Total energy: -513.424187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.424187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.424187 (E_RNA)
where:
Base-Base interactions energy: -281.235
where: short stacking energy: -142.719
Base-Backbone interact. energy: 0.236
local terms energy: -232.425099
where:
bonds (distance) C4'-P energy: -69.402
bonds (distance) P-C4' energy: -55.803
flat angles C4'-P-C4' energy: -57.307
flat angles P-C4'-P energy: -37.051
tors. eta vs tors. theta energy: -12.862
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: 372
Temperature: 1.200000
Total energy: -389.409098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -389.409098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -389.409098 (E_RNA)
where:
Base-Base interactions energy: -179.008
where: short stacking energy: -120.044
Base-Backbone interact. energy: 3.055
local terms energy: -213.455754
where:
bonds (distance) C4'-P energy: -52.818
bonds (distance) P-C4' energy: -69.894
flat angles C4'-P-C4' energy: -57.652
flat angles P-C4'-P energy: -30.949
tors. eta vs tors. theta energy: -2.143
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: 10
=====================================
Write number: 372
Temperature: 1.250000
Total energy: -333.021347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.021347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.021347 (E_RNA)
where:
Base-Base interactions energy: -113.304
where: short stacking energy: -95.149
Base-Backbone interact. energy: -1.003
local terms energy: -218.713949
where:
bonds (distance) C4'-P energy: -44.942
bonds (distance) P-C4' energy: -67.652
flat angles C4'-P-C4' energy: -65.328
flat angles P-C4'-P energy: -42.337
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: 9, replica: 9
=====================================
Write number: 372
Temperature: 1.300000
Total energy: -307.554673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.554673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.554673 (E_RNA)
where:
Base-Base interactions energy: -100.537
where: short stacking energy: -75.627
Base-Backbone interact. energy: -1.504
local terms energy: -205.513893
where:
bonds (distance) C4'-P energy: -55.296
bonds (distance) P-C4' energy: -62.797
flat angles C4'-P-C4' energy: -53.947
flat angles P-C4'-P energy: -39.555
tors. eta vs tors. theta energy: 6.081
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 372
Temperature: 1.350000
Total energy: -315.203794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.203794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.203794 (E_RNA)
where:
Base-Base interactions energy: -110.382
where: short stacking energy: -89.701
Base-Backbone interact. energy: -2.657
local terms energy: -202.164848
where:
bonds (distance) C4'-P energy: -52.890
bonds (distance) P-C4' energy: -64.430
flat angles C4'-P-C4' energy: -56.297
flat angles P-C4'-P energy: -30.248
tors. eta vs tors. theta energy: 1.701
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: 4
=====================================
Write number: 373
Temperature: 0.900000
Total energy: -1099.749752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1099.749752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1099.749752 (E_RNA)
where:
Base-Base interactions energy: -750.706
where: short stacking energy: -325.237
Base-Backbone interact. energy: -0.261
local terms energy: -348.783078
where:
bonds (distance) C4'-P energy: -69.277
bonds (distance) P-C4' energy: -60.260
flat angles C4'-P-C4' energy: -69.200
flat angles P-C4'-P energy: -39.326
tors. eta vs tors. theta energy: -110.721
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 373
Temperature: 0.950000
Total energy: -992.330650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -992.330650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -992.330650 (E_RNA)
where:
Base-Base interactions energy: -622.858
where: short stacking energy: -297.670
Base-Backbone interact. energy: -1.177
local terms energy: -368.296319
where:
bonds (distance) C4'-P energy: -66.221
bonds (distance) P-C4' energy: -67.747
flat angles C4'-P-C4' energy: -76.885
flat angles P-C4'-P energy: -49.284
tors. eta vs tors. theta energy: -108.160
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: 373
Temperature: 1.000000
Total energy: -894.780157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -894.780157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -894.780157 (E_RNA)
where:
Base-Base interactions energy: -559.034
where: short stacking energy: -259.902
Base-Backbone interact. energy: -1.176
local terms energy: -334.569323
where:
bonds (distance) C4'-P energy: -70.582
bonds (distance) P-C4' energy: -76.246
flat angles C4'-P-C4' energy: -64.537
flat angles P-C4'-P energy: -37.391
tors. eta vs tors. theta energy: -85.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 373
Temperature: 1.050000
Total energy: -876.869751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -876.869751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -876.869751 (E_RNA)
where:
Base-Base interactions energy: -549.719
where: short stacking energy: -268.553
Base-Backbone interact. energy: 0.074
local terms energy: -327.224263
where:
bonds (distance) C4'-P energy: -61.663
bonds (distance) P-C4' energy: -65.707
flat angles C4'-P-C4' energy: -73.341
flat angles P-C4'-P energy: -40.338
tors. eta vs tors. theta energy: -86.175
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 373
Temperature: 1.100000
Total energy: -598.429062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -598.429062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -598.429062 (E_RNA)
where:
Base-Base interactions energy: -319.370
where: short stacking energy: -178.114
Base-Backbone interact. energy: -2.015
local terms energy: -277.044208
where:
bonds (distance) C4'-P energy: -72.929
bonds (distance) P-C4' energy: -66.360
flat angles C4'-P-C4' energy: -59.663
flat angles P-C4'-P energy: -41.905
tors. eta vs tors. theta energy: -36.188
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 373
Temperature: 1.150000
Total energy: -482.930355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.930355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -482.930355 (E_RNA)
where:
Base-Base interactions energy: -231.956
where: short stacking energy: -128.641
Base-Backbone interact. energy: 2.060
local terms energy: -253.034309
where:
bonds (distance) C4'-P energy: -67.589
bonds (distance) P-C4' energy: -60.614
flat angles C4'-P-C4' energy: -62.572
flat angles P-C4'-P energy: -38.522
tors. eta vs tors. theta energy: -23.737
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 373
Temperature: 1.200000
Total energy: -353.102353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.102353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.102353 (E_RNA)
where:
Base-Base interactions energy: -134.845
where: short stacking energy: -98.639
Base-Backbone interact. energy: 2.598
local terms energy: -220.855170
where:
bonds (distance) C4'-P energy: -62.744
bonds (distance) P-C4' energy: -64.575
flat angles C4'-P-C4' energy: -57.429
flat angles P-C4'-P energy: -32.134
tors. eta vs tors. theta energy: -3.974
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: 9
=====================================
Write number: 373
Temperature: 1.250000
Total energy: -314.282099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.282099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.282099 (E_RNA)
where:
Base-Base interactions energy: -112.916
where: short stacking energy: -89.824
Base-Backbone interact. energy: -1.134
local terms energy: -200.232404
where:
bonds (distance) C4'-P energy: -43.672
bonds (distance) P-C4' energy: -73.112
flat angles C4'-P-C4' energy: -61.147
flat angles P-C4'-P energy: -24.248
tors. eta vs tors. theta energy: 1.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 373
Temperature: 1.300000
Total energy: -310.881285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.881285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.881285 (E_RNA)
where:
Base-Base interactions energy: -97.690
where: short stacking energy: -73.480
Base-Backbone interact. energy: -0.238
local terms energy: -212.953681
where:
bonds (distance) C4'-P energy: -66.848
bonds (distance) P-C4' energy: -58.657
flat angles C4'-P-C4' energy: -61.491
flat angles P-C4'-P energy: -32.640
tors. eta vs tors. theta energy: 6.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 373
Temperature: 1.350000
Total energy: -261.793968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.793968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.793968 (E_RNA)
where:
Base-Base interactions energy: -78.121
where: short stacking energy: -58.545
Base-Backbone interact. energy: -0.806
local terms energy: -182.866893
where:
bonds (distance) C4'-P energy: -51.887
bonds (distance) P-C4' energy: -62.485
flat angles C4'-P-C4' energy: -65.902
flat angles P-C4'-P energy: -13.317
tors. eta vs tors. theta energy: 10.725
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 374
Temperature: 0.900000
Total energy: -1124.194649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1124.194649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1124.194649 (E_RNA)
where:
Base-Base interactions energy: -746.732
where: short stacking energy: -320.926
Base-Backbone interact. energy: -0.791
local terms energy: -376.671858
where:
bonds (distance) C4'-P energy: -67.556
bonds (distance) P-C4' energy: -73.766
flat angles C4'-P-C4' energy: -79.912
flat angles P-C4'-P energy: -46.614
tors. eta vs tors. theta energy: -108.824
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 374
Temperature: 0.950000
Total energy: -987.844065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -987.844065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -987.844065 (E_RNA)
where:
Base-Base interactions energy: -642.145
where: short stacking energy: -311.363
Base-Backbone interact. energy: -1.064
local terms energy: -344.634924
where:
bonds (distance) C4'-P energy: -61.370
bonds (distance) P-C4' energy: -64.917
flat angles C4'-P-C4' energy: -78.048
flat angles P-C4'-P energy: -48.953
tors. eta vs tors. theta energy: -91.347
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: 3, replica: 3
=====================================
Write number: 374
Temperature: 1.000000
Total energy: -935.037312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -935.037312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -935.037312 (E_RNA)
where:
Base-Base interactions energy: -608.420
where: short stacking energy: -292.397
Base-Backbone interact. energy: 0.093
local terms energy: -326.709746
where:
bonds (distance) C4'-P energy: -57.224
bonds (distance) P-C4' energy: -65.787
flat angles C4'-P-C4' energy: -67.946
flat angles P-C4'-P energy: -43.136
tors. eta vs tors. theta energy: -92.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 374
Temperature: 1.050000
Total energy: -850.825510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -850.825510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -850.825510 (E_RNA)
where:
Base-Base interactions energy: -515.173
where: short stacking energy: -263.959
Base-Backbone interact. energy: -1.623
local terms energy: -334.030083
where:
bonds (distance) C4'-P energy: -68.726
bonds (distance) P-C4' energy: -68.966
flat angles C4'-P-C4' energy: -72.399
flat angles P-C4'-P energy: -45.920
tors. eta vs tors. theta energy: -78.019
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 374
Temperature: 1.100000
Total energy: -631.062614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -631.062614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -631.062614 (E_RNA)
where:
Base-Base interactions energy: -337.744
where: short stacking energy: -195.909
Base-Backbone interact. energy: -1.984
local terms energy: -291.333924
where:
bonds (distance) C4'-P energy: -64.294
bonds (distance) P-C4' energy: -67.873
flat angles C4'-P-C4' energy: -75.646
flat angles P-C4'-P energy: -34.153
tors. eta vs tors. theta energy: -49.368
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: 7
=====================================
Write number: 374
Temperature: 1.150000
Total energy: -484.283844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -484.283844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -484.283844 (E_RNA)
where:
Base-Base interactions energy: -251.600
where: short stacking energy: -157.821
Base-Backbone interact. energy: -1.621
local terms energy: -231.062029
where:
bonds (distance) C4'-P energy: -48.605
bonds (distance) P-C4' energy: -65.272
flat angles C4'-P-C4' energy: -59.277
flat angles P-C4'-P energy: -34.892
tors. eta vs tors. theta energy: -23.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 374
Temperature: 1.200000
Total energy: -334.444866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.444866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.444866 (E_RNA)
where:
Base-Base interactions energy: -129.110
where: short stacking energy: -100.612
Base-Backbone interact. energy: -1.573
local terms energy: -203.762376
where:
bonds (distance) C4'-P energy: -63.156
bonds (distance) P-C4' energy: -43.104
flat angles C4'-P-C4' energy: -63.052
flat angles P-C4'-P energy: -32.957
tors. eta vs tors. theta energy: -1.493
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: 8
=====================================
Write number: 374
Temperature: 1.250000
Total energy: -326.008045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.008045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.008045 (E_RNA)
where:
Base-Base interactions energy: -122.898
where: short stacking energy: -94.734
Base-Backbone interact. energy: -1.177
local terms energy: -201.932962
where:
bonds (distance) C4'-P energy: -56.748
bonds (distance) P-C4' energy: -56.218
flat angles C4'-P-C4' energy: -56.247
flat angles P-C4'-P energy: -39.874
tors. eta vs tors. theta energy: 7.154
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: 2
=====================================
Write number: 374
Temperature: 1.300000
Total energy: -299.934776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.934776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.934776 (E_RNA)
where:
Base-Base interactions energy: -103.910
where: short stacking energy: -82.698
Base-Backbone interact. energy: -1.046
local terms energy: -194.978858
where:
bonds (distance) C4'-P energy: -60.237
bonds (distance) P-C4' energy: -63.560
flat angles C4'-P-C4' energy: -55.990
flat angles P-C4'-P energy: -17.650
tors. eta vs tors. theta energy: 2.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 374
Temperature: 1.350000
Total energy: -285.455654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.455654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.455654 (E_RNA)
where:
Base-Base interactions energy: -120.524
where: short stacking energy: -75.422
Base-Backbone interact. energy: 0.691
local terms energy: -165.623395
where:
bonds (distance) C4'-P energy: -52.567
bonds (distance) P-C4' energy: -45.445
flat angles C4'-P-C4' energy: -47.295
flat angles P-C4'-P energy: -31.179
tors. eta vs tors. theta energy: 10.863
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: 4
=====================================
Write number: 375
Temperature: 0.900000
Total energy: -1121.579848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1121.579848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1121.579848 (E_RNA)
where:
Base-Base interactions energy: -737.629
where: short stacking energy: -337.371
Base-Backbone interact. energy: -0.415
local terms energy: -383.536481
where:
bonds (distance) C4'-P energy: -69.663
bonds (distance) P-C4' energy: -73.766
flat angles C4'-P-C4' energy: -77.779
flat angles P-C4'-P energy: -55.741
tors. eta vs tors. theta energy: -106.589
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 375
Temperature: 0.950000
Total energy: -985.565199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -985.565199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -985.565199 (E_RNA)
where:
Base-Base interactions energy: -631.035
where: short stacking energy: -303.274
Base-Backbone interact. energy: -0.928
local terms energy: -353.601439
where:
bonds (distance) C4'-P energy: -68.302
bonds (distance) P-C4' energy: -70.486
flat angles C4'-P-C4' energy: -70.542
flat angles P-C4'-P energy: -46.144
tors. eta vs tors. theta energy: -98.128
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 375
Temperature: 1.000000
Total energy: -937.646368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -937.646368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -937.646368 (E_RNA)
where:
Base-Base interactions energy: -597.916
where: short stacking energy: -281.459
Base-Backbone interact. energy: 3.900
local terms energy: -343.631168
where:
bonds (distance) C4'-P energy: -57.350
bonds (distance) P-C4' energy: -68.255
flat angles C4'-P-C4' energy: -78.551
flat angles P-C4'-P energy: -44.626
tors. eta vs tors. theta energy: -94.849
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: 5
=====================================
Write number: 375
Temperature: 1.050000
Total energy: -884.409092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -884.409092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -884.409092 (E_RNA)
where:
Base-Base interactions energy: -559.021
where: short stacking energy: -272.039
Base-Backbone interact. energy: -2.431
local terms energy: -322.957360
where:
bonds (distance) C4'-P energy: -65.858
bonds (distance) P-C4' energy: -65.598
flat angles C4'-P-C4' energy: -64.419
flat angles P-C4'-P energy: -49.873
tors. eta vs tors. theta energy: -77.210
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 375
Temperature: 1.100000
Total energy: -625.110938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -625.110938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -625.110938 (E_RNA)
where:
Base-Base interactions energy: -362.121
where: short stacking energy: -194.343
Base-Backbone interact. energy: 2.657
local terms energy: -265.647143
where:
bonds (distance) C4'-P energy: -74.985
bonds (distance) P-C4' energy: -51.709
flat angles C4'-P-C4' energy: -60.220
flat angles P-C4'-P energy: -38.250
tors. eta vs tors. theta energy: -40.483
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 375
Temperature: 1.150000
Total energy: -475.295315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -475.295315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -475.295315 (E_RNA)
where:
Base-Base interactions energy: -236.686
where: short stacking energy: -135.783
Base-Backbone interact. energy: -1.928
local terms energy: -236.681652
where:
bonds (distance) C4'-P energy: -65.978
bonds (distance) P-C4' energy: -66.333
flat angles C4'-P-C4' energy: -47.527
flat angles P-C4'-P energy: -39.875
tors. eta vs tors. theta energy: -16.969
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 375
Temperature: 1.200000
Total energy: -370.639241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.639241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.639241 (E_RNA)
where:
Base-Base interactions energy: -145.333
where: short stacking energy: -113.672
Base-Backbone interact. energy: -1.013
local terms energy: -224.293162
where:
bonds (distance) C4'-P energy: -63.133
bonds (distance) P-C4' energy: -57.930
flat angles C4'-P-C4' energy: -60.542
flat angles P-C4'-P energy: -32.141
tors. eta vs tors. theta energy: -10.547
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: 8, replica: 2
=====================================
Write number: 375
Temperature: 1.250000
Total energy: -324.665127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.665127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.665127 (E_RNA)
where:
Base-Base interactions energy: -129.865
where: short stacking energy: -93.258
Base-Backbone interact. energy: 1.322
local terms energy: -196.122351
where:
bonds (distance) C4'-P energy: -51.097
bonds (distance) P-C4' energy: -55.280
flat angles C4'-P-C4' energy: -51.457
flat angles P-C4'-P energy: -42.862
tors. eta vs tors. theta energy: 4.574
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 375
Temperature: 1.300000
Total energy: -314.383976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.383976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.383976 (E_RNA)
where:
Base-Base interactions energy: -106.465
where: short stacking energy: -101.584
Base-Backbone interact. energy: -0.930
local terms energy: -206.988701
where:
bonds (distance) C4'-P energy: -54.472
bonds (distance) P-C4' energy: -68.700
flat angles C4'-P-C4' energy: -44.330
flat angles P-C4'-P energy: -26.657
tors. eta vs tors. theta energy: -12.830
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 375
Temperature: 1.350000
Total energy: -287.743976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.743976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.743976 (E_RNA)
where:
Base-Base interactions energy: -112.833
where: short stacking energy: -82.066
Base-Backbone interact. energy: -1.358
local terms energy: -173.552846
where:
bonds (distance) C4'-P energy: -59.130
bonds (distance) P-C4' energy: -50.439
flat angles C4'-P-C4' energy: -54.232
flat angles P-C4'-P energy: -21.730
tors. eta vs tors. theta energy: 11.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 376
Temperature: 0.900000
Total energy: -1099.432143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1099.432143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1099.432143 (E_RNA)
where:
Base-Base interactions energy: -726.532
where: short stacking energy: -307.980
Base-Backbone interact. energy: -0.382
local terms energy: -372.518239
where:
bonds (distance) C4'-P energy: -64.091
bonds (distance) P-C4' energy: -69.686
flat angles C4'-P-C4' energy: -79.626
flat angles P-C4'-P energy: -54.599
tors. eta vs tors. theta energy: -104.516
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: 2, replica: 1
=====================================
Write number: 376
Temperature: 0.950000
Total energy: -977.232431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -977.232431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -977.232431 (E_RNA)
where:
Base-Base interactions energy: -619.055
where: short stacking energy: -294.788
Base-Backbone interact. energy: -1.591
local terms energy: -356.585777
where:
bonds (distance) C4'-P energy: -71.081
bonds (distance) P-C4' energy: -72.955
flat angles C4'-P-C4' energy: -75.099
flat angles P-C4'-P energy: -45.077
tors. eta vs tors. theta energy: -92.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 376
Temperature: 1.000000
Total energy: -904.436860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -904.436860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -904.436860 (E_RNA)
where:
Base-Base interactions energy: -580.538
where: short stacking energy: -267.603
Base-Backbone interact. energy: -1.288
local terms energy: -322.610121
where:
bonds (distance) C4'-P energy: -60.757
bonds (distance) P-C4' energy: -69.375
flat angles C4'-P-C4' energy: -71.683
flat angles P-C4'-P energy: -38.828
tors. eta vs tors. theta energy: -81.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 376
Temperature: 1.050000
Total energy: -868.815953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -868.815953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -868.815953 (E_RNA)
where:
Base-Base interactions energy: -550.697
where: short stacking energy: -256.510
Base-Backbone interact. energy: 0.180
local terms energy: -318.298777
where:
bonds (distance) C4'-P energy: -71.794
bonds (distance) P-C4' energy: -59.319
flat angles C4'-P-C4' energy: -59.635
flat angles P-C4'-P energy: -46.822
tors. eta vs tors. theta energy: -80.729
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 376
Temperature: 1.100000
Total energy: -597.402645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -597.402645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -597.402645 (E_RNA)
where:
Base-Base interactions energy: -350.148
where: short stacking energy: -175.740
Base-Backbone interact. energy: 3.555
local terms energy: -250.809600
where:
bonds (distance) C4'-P energy: -62.186
bonds (distance) P-C4' energy: -60.698
flat angles C4'-P-C4' energy: -65.468
flat angles P-C4'-P energy: -26.243
tors. eta vs tors. theta energy: -36.214
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 376
Temperature: 1.150000
Total energy: -444.487523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -444.487523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -444.487523 (E_RNA)
where:
Base-Base interactions energy: -195.912
where: short stacking energy: -136.498
Base-Backbone interact. energy: -0.876
local terms energy: -247.699793
where:
bonds (distance) C4'-P energy: -65.901
bonds (distance) P-C4' energy: -62.732
flat angles C4'-P-C4' energy: -48.610
flat angles P-C4'-P energy: -43.348
tors. eta vs tors. theta energy: -27.109
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 376
Temperature: 1.200000
Total energy: -355.442865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.442865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.442865 (E_RNA)
where:
Base-Base interactions energy: -138.591
where: short stacking energy: -127.896
Base-Backbone interact. energy: -0.571
local terms energy: -216.280736
where:
bonds (distance) C4'-P energy: -53.180
bonds (distance) P-C4' energy: -62.935
flat angles C4'-P-C4' energy: -66.658
flat angles P-C4'-P energy: -30.692
tors. eta vs tors. theta energy: -2.816
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 376
Temperature: 1.250000
Total energy: -302.454422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.454422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.454422 (E_RNA)
where:
Base-Base interactions energy: -122.903
where: short stacking energy: -72.203
Base-Backbone interact. energy: 3.716
local terms energy: -183.266856
where:
bonds (distance) C4'-P energy: -55.272
bonds (distance) P-C4' energy: -70.912
flat angles C4'-P-C4' energy: -54.243
flat angles P-C4'-P energy: -22.377
tors. eta vs tors. theta energy: 19.536
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 376
Temperature: 1.300000
Total energy: -313.458606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.458606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.458606 (E_RNA)
where:
Base-Base interactions energy: -112.461
where: short stacking energy: -91.684
Base-Backbone interact. energy: -2.606
local terms energy: -198.391791
where:
bonds (distance) C4'-P energy: -63.346
bonds (distance) P-C4' energy: -62.053
flat angles C4'-P-C4' energy: -44.583
flat angles P-C4'-P energy: -28.429
tors. eta vs tors. theta energy: 0.019
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 376
Temperature: 1.350000
Total energy: -280.950345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.950345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.950345 (E_RNA)
where:
Base-Base interactions energy: -86.433
where: short stacking energy: -71.538
Base-Backbone interact. energy: 0.888
local terms energy: -195.405291
where:
bonds (distance) C4'-P energy: -59.704
bonds (distance) P-C4' energy: -57.429
flat angles C4'-P-C4' energy: -50.148
flat angles P-C4'-P energy: -35.630
tors. eta vs tors. theta energy: 7.505
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: 4
=====================================
Write number: 377
Temperature: 0.900000
Total energy: -1106.436235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1106.436235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1106.436235 (E_RNA)
where:
Base-Base interactions energy: -734.794
where: short stacking energy: -326.464
Base-Backbone interact. energy: -0.977
local terms energy: -370.664978
where:
bonds (distance) C4'-P energy: -71.042
bonds (distance) P-C4' energy: -72.692
flat angles C4'-P-C4' energy: -67.569
flat angles P-C4'-P energy: -52.168
tors. eta vs tors. theta energy: -107.194
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: 1
=====================================
Write number: 377
Temperature: 0.950000
Total energy: -985.144206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -985.144206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -985.144206 (E_RNA)
where:
Base-Base interactions energy: -642.325
where: short stacking energy: -285.781
Base-Backbone interact. energy: -0.893
local terms energy: -341.926194
where:
bonds (distance) C4'-P energy: -70.270
bonds (distance) P-C4' energy: -64.783
flat angles C4'-P-C4' energy: -62.905
flat angles P-C4'-P energy: -48.931
tors. eta vs tors. theta energy: -95.038
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 377
Temperature: 1.000000
Total energy: -893.236868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -893.236868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -893.236868 (E_RNA)
where:
Base-Base interactions energy: -565.807
where: short stacking energy: -249.986
Base-Backbone interact. energy: -0.613
local terms energy: -326.816430
where:
bonds (distance) C4'-P energy: -64.018
bonds (distance) P-C4' energy: -69.989
flat angles C4'-P-C4' energy: -72.186
flat angles P-C4'-P energy: -50.141
tors. eta vs tors. theta energy: -70.482
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 377
Temperature: 1.050000
Total energy: -866.626478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -866.626478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -866.626478 (E_RNA)
where:
Base-Base interactions energy: -550.872
where: short stacking energy: -239.947
Base-Backbone interact. energy: -1.107
local terms energy: -314.648127
where:
bonds (distance) C4'-P energy: -67.046
bonds (distance) P-C4' energy: -67.924
flat angles C4'-P-C4' energy: -62.078
flat angles P-C4'-P energy: -46.895
tors. eta vs tors. theta energy: -70.705
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 377
Temperature: 1.100000
Total energy: -639.319741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -639.319741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -639.319741 (E_RNA)
where:
Base-Base interactions energy: -364.707
where: short stacking energy: -180.702
Base-Backbone interact. energy: -1.852
local terms energy: -272.760781
where:
bonds (distance) C4'-P energy: -71.786
bonds (distance) P-C4' energy: -63.156
flat angles C4'-P-C4' energy: -55.146
flat angles P-C4'-P energy: -41.809
tors. eta vs tors. theta energy: -40.864
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 377
Temperature: 1.150000
Total energy: -443.630813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -443.630813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -443.630813 (E_RNA)
where:
Base-Base interactions energy: -211.519
where: short stacking energy: -128.657
Base-Backbone interact. energy: -0.919
local terms energy: -231.192739
where:
bonds (distance) C4'-P energy: -53.165
bonds (distance) P-C4' energy: -64.972
flat angles C4'-P-C4' energy: -67.068
flat angles P-C4'-P energy: -30.270
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: 7, replica: 2
=====================================
Write number: 377
Temperature: 1.200000
Total energy: -350.082767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.082767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.082767 (E_RNA)
where:
Base-Base interactions energy: -138.660
where: short stacking energy: -95.316
Base-Backbone interact. energy: -0.827
local terms energy: -210.596023
where:
bonds (distance) C4'-P energy: -66.532
bonds (distance) P-C4' energy: -61.338
flat angles C4'-P-C4' energy: -51.886
flat angles P-C4'-P energy: -26.265
tors. eta vs tors. theta energy: -4.575
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 377
Temperature: 1.250000
Total energy: -324.525672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.525672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.525672 (E_RNA)
where:
Base-Base interactions energy: -120.234
where: short stacking energy: -84.624
Base-Backbone interact. energy: -1.936
local terms energy: -202.355699
where:
bonds (distance) C4'-P energy: -62.094
bonds (distance) P-C4' energy: -62.615
flat angles C4'-P-C4' energy: -45.257
flat angles P-C4'-P energy: -34.826
tors. eta vs tors. theta energy: 2.436
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: 377
Temperature: 1.300000
Total energy: -322.873312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.873312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.873312 (E_RNA)
where:
Base-Base interactions energy: -111.149
where: short stacking energy: -92.590
Base-Backbone interact. energy: 1.822
local terms energy: -213.546788
where:
bonds (distance) C4'-P energy: -51.647
bonds (distance) P-C4' energy: -61.347
flat angles C4'-P-C4' energy: -57.272
flat angles P-C4'-P energy: -39.846
tors. eta vs tors. theta energy: -3.434
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: 8
=====================================
Write number: 377
Temperature: 1.350000
Total energy: -253.893309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.893309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.893309 (E_RNA)
where:
Base-Base interactions energy: -99.966
where: short stacking energy: -72.710
Base-Backbone interact. energy: 3.278
local terms energy: -157.205755
where:
bonds (distance) C4'-P energy: -55.771
bonds (distance) P-C4' energy: -45.630
flat angles C4'-P-C4' energy: -39.752
flat angles P-C4'-P energy: -25.107
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: 1, replica: 4
=====================================
Write number: 378
Temperature: 0.900000
Total energy: -1118.384942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1118.384942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1118.384942 (E_RNA)
where:
Base-Base interactions energy: -740.117
where: short stacking energy: -323.716
Base-Backbone interact. energy: -0.577
local terms energy: -377.690967
where:
bonds (distance) C4'-P energy: -59.826
bonds (distance) P-C4' energy: -74.163
flat angles C4'-P-C4' energy: -84.907
flat angles P-C4'-P energy: -51.807
tors. eta vs tors. theta energy: -106.988
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 378
Temperature: 0.950000
Total energy: -991.675791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -991.675791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -991.675791 (E_RNA)
where:
Base-Base interactions energy: -632.555
where: short stacking energy: -299.522
Base-Backbone interact. energy: -0.942
local terms energy: -358.178630
where:
bonds (distance) C4'-P energy: -61.865
bonds (distance) P-C4' energy: -72.135
flat angles C4'-P-C4' energy: -80.331
flat angles P-C4'-P energy: -50.131
tors. eta vs tors. theta energy: -93.718
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 378
Temperature: 1.000000
Total energy: -883.662763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -883.662763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -883.662763 (E_RNA)
where:
Base-Base interactions energy: -563.905
where: short stacking energy: -262.223
Base-Backbone interact. energy: -0.812
local terms energy: -318.946105
where:
bonds (distance) C4'-P energy: -68.904
bonds (distance) P-C4' energy: -65.253
flat angles C4'-P-C4' energy: -75.716
flat angles P-C4'-P energy: -35.425
tors. eta vs tors. theta energy: -73.649
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: 3
=====================================
Write number: 378
Temperature: 1.050000
Total energy: -877.720376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -877.720376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -877.720376 (E_RNA)
where:
Base-Base interactions energy: -561.905
where: short stacking energy: -259.120
Base-Backbone interact. energy: -0.410
local terms energy: -315.405106
where:
bonds (distance) C4'-P energy: -61.449
bonds (distance) P-C4' energy: -60.628
flat angles C4'-P-C4' energy: -67.707
flat angles P-C4'-P energy: -48.442
tors. eta vs tors. theta energy: -77.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 378
Temperature: 1.100000
Total energy: -684.699368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -684.699368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -684.699368 (E_RNA)
where:
Base-Base interactions energy: -399.034
where: short stacking energy: -196.123
Base-Backbone interact. energy: -0.533
local terms energy: -285.132079
where:
bonds (distance) C4'-P energy: -59.242
bonds (distance) P-C4' energy: -71.582
flat angles C4'-P-C4' energy: -66.901
flat angles P-C4'-P energy: -40.566
tors. eta vs tors. theta energy: -46.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 378
Temperature: 1.150000
Total energy: -483.543927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.543927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -483.543927 (E_RNA)
where:
Base-Base interactions energy: -241.778
where: short stacking energy: -141.370
Base-Backbone interact. energy: -0.685
local terms energy: -241.080739
where:
bonds (distance) C4'-P energy: -64.038
bonds (distance) P-C4' energy: -65.106
flat angles C4'-P-C4' energy: -60.528
flat angles P-C4'-P energy: -33.795
tors. eta vs tors. theta energy: -17.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 378
Temperature: 1.200000
Total energy: -372.332596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -372.332596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -372.332596 (E_RNA)
where:
Base-Base interactions energy: -155.322
where: short stacking energy: -106.502
Base-Backbone interact. energy: 2.595
local terms energy: -219.604893
where:
bonds (distance) C4'-P energy: -68.984
bonds (distance) P-C4' energy: -69.908
flat angles C4'-P-C4' energy: -55.130
flat angles P-C4'-P energy: -35.748
tors. eta vs tors. theta energy: 10.164
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: 2
=====================================
Write number: 378
Temperature: 1.250000
Total energy: -345.878097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.878097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.878097 (E_RNA)
where:
Base-Base interactions energy: -143.070
where: short stacking energy: -106.750
Base-Backbone interact. energy: 0.866
local terms energy: -203.673425
where:
bonds (distance) C4'-P energy: -57.277
bonds (distance) P-C4' energy: -63.101
flat angles C4'-P-C4' energy: -58.831
flat angles P-C4'-P energy: -21.857
tors. eta vs tors. theta energy: -2.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 378
Temperature: 1.300000
Total energy: -294.337671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.337671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.337671 (E_RNA)
where:
Base-Base interactions energy: -93.291
where: short stacking energy: -70.517
Base-Backbone interact. energy: 2.306
local terms energy: -203.352482
where:
bonds (distance) C4'-P energy: -58.117
bonds (distance) P-C4' energy: -71.512
flat angles C4'-P-C4' energy: -54.899
flat angles P-C4'-P energy: -27.972
tors. eta vs tors. theta energy: 9.148
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 378
Temperature: 1.350000
Total energy: -291.413449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.413449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.413449 (E_RNA)
where:
Base-Base interactions energy: -100.521
where: short stacking energy: -70.399
Base-Backbone interact. energy: -3.238
local terms energy: -187.654811
where:
bonds (distance) C4'-P energy: -56.088
bonds (distance) P-C4' energy: -56.307
flat angles C4'-P-C4' energy: -51.131
flat angles P-C4'-P energy: -43.202
tors. eta vs tors. theta energy: 19.073
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: 1, replica: 4
=====================================
Write number: 379
Temperature: 0.900000
Total energy: -1108.117810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1108.117810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1108.117810 (E_RNA)
where:
Base-Base interactions energy: -740.230
where: short stacking energy: -337.199
Base-Backbone interact. energy: 0.683
local terms energy: -368.571412
where:
bonds (distance) C4'-P energy: -70.625
bonds (distance) P-C4' energy: -59.810
flat angles C4'-P-C4' energy: -69.635
flat angles P-C4'-P energy: -54.844
tors. eta vs tors. theta energy: -113.657
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: 1
=====================================
Write number: 379
Temperature: 0.950000
Total energy: -1007.301598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1007.301598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1007.301598 (E_RNA)
where:
Base-Base interactions energy: -662.048
where: short stacking energy: -318.116
Base-Backbone interact. energy: 2.186
local terms energy: -347.440069
where:
bonds (distance) C4'-P energy: -67.603
bonds (distance) P-C4' energy: -73.802
flat angles C4'-P-C4' energy: -74.723
flat angles P-C4'-P energy: -34.456
tors. eta vs tors. theta energy: -96.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 379
Temperature: 1.000000
Total energy: -900.799617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -900.799617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -900.799617 (E_RNA)
where:
Base-Base interactions energy: -570.143
where: short stacking energy: -256.432
Base-Backbone interact. energy: -1.223
local terms energy: -329.434392
where:
bonds (distance) C4'-P energy: -56.976
bonds (distance) P-C4' energy: -62.365
flat angles C4'-P-C4' energy: -66.998
flat angles P-C4'-P energy: -58.577
tors. eta vs tors. theta energy: -84.518
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: 379
Temperature: 1.050000
Total energy: -864.916813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -864.916813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -864.916813 (E_RNA)
where:
Base-Base interactions energy: -556.740
where: short stacking energy: -245.403
Base-Backbone interact. energy: -1.067
local terms energy: -307.109716
where:
bonds (distance) C4'-P energy: -64.009
bonds (distance) P-C4' energy: -60.765
flat angles C4'-P-C4' energy: -65.276
flat angles P-C4'-P energy: -38.227
tors. eta vs tors. theta energy: -78.834
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 379
Temperature: 1.100000
Total energy: -653.042767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -653.042767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -653.042767 (E_RNA)
where:
Base-Base interactions energy: -374.936
where: short stacking energy: -174.226
Base-Backbone interact. energy: -1.269
local terms energy: -276.837458
where:
bonds (distance) C4'-P energy: -62.610
bonds (distance) P-C4' energy: -61.494
flat angles C4'-P-C4' energy: -70.559
flat angles P-C4'-P energy: -48.080
tors. eta vs tors. theta energy: -34.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 379
Temperature: 1.150000
Total energy: -463.090320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -463.090320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -463.090320 (E_RNA)
where:
Base-Base interactions energy: -206.763
where: short stacking energy: -147.021
Base-Backbone interact. energy: -0.511
local terms energy: -255.816693
where:
bonds (distance) C4'-P energy: -53.838
bonds (distance) P-C4' energy: -55.085
flat angles C4'-P-C4' energy: -69.634
flat angles P-C4'-P energy: -41.131
tors. eta vs tors. theta energy: -36.128
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 379
Temperature: 1.200000
Total energy: -406.425741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.425741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -406.425741 (E_RNA)
where:
Base-Base interactions energy: -195.937
where: short stacking energy: -106.476
Base-Backbone interact. energy: -0.585
local terms energy: -209.902961
where:
bonds (distance) C4'-P energy: -56.173
bonds (distance) P-C4' energy: -62.078
flat angles C4'-P-C4' energy: -53.087
flat angles P-C4'-P energy: -31.665
tors. eta vs tors. theta energy: -6.900
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 379
Temperature: 1.250000
Total energy: -319.793048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.793048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.793048 (E_RNA)
where:
Base-Base interactions energy: -127.051
where: short stacking energy: -93.318
Base-Backbone interact. energy: -1.134
local terms energy: -191.608142
where:
bonds (distance) C4'-P energy: -46.543
bonds (distance) P-C4' energy: -62.976
flat angles C4'-P-C4' energy: -44.208
flat angles P-C4'-P energy: -39.198
tors. eta vs tors. theta energy: 1.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 379
Temperature: 1.300000
Total energy: -285.671484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.671484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.671484 (E_RNA)
where:
Base-Base interactions energy: -110.102
where: short stacking energy: -66.542
Base-Backbone interact. energy: 2.261
local terms energy: -177.830609
where:
bonds (distance) C4'-P energy: -60.234
bonds (distance) P-C4' energy: -67.294
flat angles C4'-P-C4' energy: -50.270
flat angles P-C4'-P energy: -28.614
tors. eta vs tors. theta energy: 28.582
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 379
Temperature: 1.350000
Total energy: -267.967198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.967198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.967198 (E_RNA)
where:
Base-Base interactions energy: -100.535
where: short stacking energy: -80.667
Base-Backbone interact. energy: 0.092
local terms energy: -167.523947
where:
bonds (distance) C4'-P energy: -53.705
bonds (distance) P-C4' energy: -64.270
flat angles C4'-P-C4' energy: -37.051
flat angles P-C4'-P energy: -20.699
tors. eta vs tors. theta energy: 8.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 380
Temperature: 0.900000
Total energy: -1102.154519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1102.154519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1102.154519 (E_RNA)
where:
Base-Base interactions energy: -724.165
where: short stacking energy: -323.083
Base-Backbone interact. energy: 4.631
local terms energy: -382.621219
where:
bonds (distance) C4'-P energy: -73.901
bonds (distance) P-C4' energy: -73.044
flat angles C4'-P-C4' energy: -77.921
flat angles P-C4'-P energy: -45.608
tors. eta vs tors. theta energy: -112.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 380
Temperature: 0.950000
Total energy: -1018.922815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1018.922815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1018.922815 (E_RNA)
where:
Base-Base interactions energy: -671.982
where: short stacking energy: -310.864
Base-Backbone interact. energy: 0.974
local terms energy: -347.914683
where:
bonds (distance) C4'-P energy: -62.853
bonds (distance) P-C4' energy: -63.752
flat angles C4'-P-C4' energy: -76.636
flat angles P-C4'-P energy: -51.525
tors. eta vs tors. theta energy: -93.149
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: 5
=====================================
Write number: 380
Temperature: 1.000000
Total energy: -875.714705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -875.714705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -875.714705 (E_RNA)
where:
Base-Base interactions energy: -561.898
where: short stacking energy: -256.077
Base-Backbone interact. energy: 0.280
local terms energy: -314.096971
where:
bonds (distance) C4'-P energy: -68.930
bonds (distance) P-C4' energy: -62.270
flat angles C4'-P-C4' energy: -73.174
flat angles P-C4'-P energy: -32.831
tors. eta vs tors. theta energy: -76.892
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: 3
=====================================
Write number: 380
Temperature: 1.050000
Total energy: -872.860071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -872.860071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -872.860071 (E_RNA)
where:
Base-Base interactions energy: -548.598
where: short stacking energy: -244.452
Base-Backbone interact. energy: -0.527
local terms energy: -323.734898
where:
bonds (distance) C4'-P energy: -61.063
bonds (distance) P-C4' energy: -64.570
flat angles C4'-P-C4' energy: -73.474
flat angles P-C4'-P energy: -37.320
tors. eta vs tors. theta energy: -87.308
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: 6
=====================================
Write number: 380
Temperature: 1.100000
Total energy: -693.924228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -693.924228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -693.924228 (E_RNA)
where:
Base-Base interactions energy: -390.955
where: short stacking energy: -181.868
Base-Backbone interact. energy: 1.117
local terms energy: -304.086394
where:
bonds (distance) C4'-P energy: -68.626
bonds (distance) P-C4' energy: -70.444
flat angles C4'-P-C4' energy: -68.824
flat angles P-C4'-P energy: -42.090
tors. eta vs tors. theta energy: -54.102
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 380
Temperature: 1.150000
Total energy: -515.323520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.323520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.323520 (E_RNA)
where:
Base-Base interactions energy: -244.044
where: short stacking energy: -163.053
Base-Backbone interact. energy: -1.089
local terms energy: -270.190543
where:
bonds (distance) C4'-P energy: -58.771
bonds (distance) P-C4' energy: -74.180
flat angles C4'-P-C4' energy: -60.467
flat angles P-C4'-P energy: -47.082
tors. eta vs tors. theta energy: -29.690
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 380
Temperature: 1.200000
Total energy: -419.491303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.491303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.491303 (E_RNA)
where:
Base-Base interactions energy: -170.654
where: short stacking energy: -112.364
Base-Backbone interact. energy: 0.005
local terms energy: -248.841821
where:
bonds (distance) C4'-P energy: -58.392
bonds (distance) P-C4' energy: -65.995
flat angles C4'-P-C4' energy: -55.658
flat angles P-C4'-P energy: -50.549
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: 380
Temperature: 1.250000
Total energy: -321.349326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.349326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.349326 (E_RNA)
where:
Base-Base interactions energy: -118.046
where: short stacking energy: -91.369
Base-Backbone interact. energy: -0.602
local terms energy: -202.701052
where:
bonds (distance) C4'-P energy: -50.053
bonds (distance) P-C4' energy: -65.812
flat angles C4'-P-C4' energy: -49.788
flat angles P-C4'-P energy: -35.612
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: 8
=====================================
Write number: 380
Temperature: 1.300000
Total energy: -306.283217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.283217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.283217 (E_RNA)
where:
Base-Base interactions energy: -94.700
where: short stacking energy: -67.357
Base-Backbone interact. energy: -2.630
local terms energy: -208.953177
where:
bonds (distance) C4'-P energy: -62.664
bonds (distance) P-C4' energy: -71.649
flat angles C4'-P-C4' energy: -59.564
flat angles P-C4'-P energy: -37.207
tors. eta vs tors. theta energy: 22.131
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: 2
=====================================
Write number: 380
Temperature: 1.350000
Total energy: -278.085123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.085123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.085123 (E_RNA)
where:
Base-Base interactions energy: -77.142
where: short stacking energy: -58.473
Base-Backbone interact. energy: -1.388
local terms energy: -199.554940
where:
bonds (distance) C4'-P energy: -57.976
bonds (distance) P-C4' energy: -59.782
flat angles C4'-P-C4' energy: -58.857
flat angles P-C4'-P energy: -38.808
tors. eta vs tors. theta energy: 15.867
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 381
Temperature: 0.900000
Total energy: -1126.281757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1126.281757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1126.281757 (E_RNA)
where:
Base-Base interactions energy: -754.597
where: short stacking energy: -344.599
Base-Backbone interact. energy: -1.034
local terms energy: -370.651350
where:
bonds (distance) C4'-P energy: -71.303
bonds (distance) P-C4' energy: -67.269
flat angles C4'-P-C4' energy: -77.830
flat angles P-C4'-P energy: -45.634
tors. eta vs tors. theta energy: -108.615
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: 2, replica: 1
=====================================
Write number: 381
Temperature: 0.950000
Total energy: -1040.378154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1040.378154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1040.378154 (E_RNA)
where:
Base-Base interactions energy: -681.403
where: short stacking energy: -307.721
Base-Backbone interact. energy: -1.822
local terms energy: -357.152825
where:
bonds (distance) C4'-P energy: -65.039
bonds (distance) P-C4' energy: -69.589
flat angles C4'-P-C4' energy: -78.875
flat angles P-C4'-P energy: -52.629
tors. eta vs tors. theta energy: -91.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 381
Temperature: 1.000000
Total energy: -884.341636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -884.341636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -884.341636 (E_RNA)
where:
Base-Base interactions energy: -558.538
where: short stacking energy: -270.548
Base-Backbone interact. energy: -0.450
local terms energy: -325.353423
where:
bonds (distance) C4'-P energy: -61.846
bonds (distance) P-C4' energy: -64.915
flat angles C4'-P-C4' energy: -73.048
flat angles P-C4'-P energy: -42.736
tors. eta vs tors. theta energy: -82.809
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 381
Temperature: 1.050000
Total energy: -865.022118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -865.022118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -865.022118 (E_RNA)
where:
Base-Base interactions energy: -543.139
where: short stacking energy: -256.218
Base-Backbone interact. energy: 0.276
local terms energy: -322.159406
where:
bonds (distance) C4'-P energy: -57.478
bonds (distance) P-C4' energy: -58.475
flat angles C4'-P-C4' energy: -81.028
flat angles P-C4'-P energy: -46.115
tors. eta vs tors. theta energy: -79.063
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 381
Temperature: 1.100000
Total energy: -708.101950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -708.101950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -708.101950 (E_RNA)
where:
Base-Base interactions energy: -418.998
where: short stacking energy: -208.148
Base-Backbone interact. energy: -0.423
local terms energy: -288.680790
where:
bonds (distance) C4'-P energy: -58.521
bonds (distance) P-C4' energy: -74.572
flat angles C4'-P-C4' energy: -73.260
flat angles P-C4'-P energy: -31.546
tors. eta vs tors. theta energy: -50.782
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: 7
=====================================
Write number: 381
Temperature: 1.150000
Total energy: -454.695240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -454.695240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -454.695240 (E_RNA)
where:
Base-Base interactions energy: -224.875
where: short stacking energy: -140.233
Base-Backbone interact. energy: -0.894
local terms energy: -228.926253
where:
bonds (distance) C4'-P energy: -65.881
bonds (distance) P-C4' energy: -52.473
flat angles C4'-P-C4' energy: -63.695
flat angles P-C4'-P energy: -32.999
tors. eta vs tors. theta energy: -13.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 381
Temperature: 1.200000
Total energy: -360.543319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.543319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.543319 (E_RNA)
where:
Base-Base interactions energy: -158.664
where: short stacking energy: -89.769
Base-Backbone interact. energy: -1.954
local terms energy: -199.925956
where:
bonds (distance) C4'-P energy: -65.134
bonds (distance) P-C4' energy: -60.733
flat angles C4'-P-C4' energy: -49.575
flat angles P-C4'-P energy: -30.576
tors. eta vs tors. theta energy: 6.092
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 381
Temperature: 1.250000
Total energy: -330.968078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.968078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.968078 (E_RNA)
where:
Base-Base interactions energy: -119.104
where: short stacking energy: -102.322
Base-Backbone interact. energy: -1.683
local terms energy: -210.180631
where:
bonds (distance) C4'-P energy: -67.603
bonds (distance) P-C4' energy: -60.045
flat angles C4'-P-C4' energy: -50.031
flat angles P-C4'-P energy: -30.252
tors. eta vs tors. theta energy: -2.250
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: 10
=====================================
Write number: 381
Temperature: 1.300000
Total energy: -291.926830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.926830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.926830 (E_RNA)
where:
Base-Base interactions energy: -131.924
where: short stacking energy: -53.962
Base-Backbone interact. energy: 0.576
local terms energy: -160.578139
where:
bonds (distance) C4'-P energy: -54.191
bonds (distance) P-C4' energy: -49.578
flat angles C4'-P-C4' energy: -44.881
flat angles P-C4'-P energy: -34.027
tors. eta vs tors. theta energy: 22.098
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 381
Temperature: 1.350000
Total energy: -277.938949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.938949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.938949 (E_RNA)
where:
Base-Base interactions energy: -95.024
where: short stacking energy: -55.685
Base-Backbone interact. energy: -1.745
local terms energy: -181.169965
where:
bonds (distance) C4'-P energy: -56.385
bonds (distance) P-C4' energy: -65.327
flat angles C4'-P-C4' energy: -41.481
flat angles P-C4'-P energy: -34.964
tors. eta vs tors. theta energy: 16.988
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 382
Temperature: 0.900000
Total energy: -1128.649915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1128.649915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1128.649915 (E_RNA)
where:
Base-Base interactions energy: -731.841
where: short stacking energy: -330.580
Base-Backbone interact. energy: 1.824
local terms energy: -398.632684
where:
bonds (distance) C4'-P energy: -78.332
bonds (distance) P-C4' energy: -71.870
flat angles C4'-P-C4' energy: -73.017
flat angles P-C4'-P energy: -61.232
tors. eta vs tors. theta energy: -114.182
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 382
Temperature: 0.950000
Total energy: -1033.940853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1033.940853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1033.940853 (E_RNA)
where:
Base-Base interactions energy: -683.618
where: short stacking energy: -315.917
Base-Backbone interact. energy: 2.886
local terms energy: -353.208707
where:
bonds (distance) C4'-P energy: -67.120
bonds (distance) P-C4' energy: -61.203
flat angles C4'-P-C4' energy: -74.708
flat angles P-C4'-P energy: -50.933
tors. eta vs tors. theta energy: -99.244
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: 5
=====================================
Write number: 382
Temperature: 1.000000
Total energy: -886.345111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -886.345111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -886.345111 (E_RNA)
where:
Base-Base interactions energy: -562.866
where: short stacking energy: -280.989
Base-Backbone interact. energy: -0.751
local terms energy: -322.728309
where:
bonds (distance) C4'-P energy: -69.568
bonds (distance) P-C4' energy: -63.190
flat angles C4'-P-C4' energy: -62.432
flat angles P-C4'-P energy: -46.370
tors. eta vs tors. theta energy: -81.168
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: 3
=====================================
Write number: 382
Temperature: 1.050000
Total energy: -787.206957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -787.206957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -787.206957 (E_RNA)
where:
Base-Base interactions energy: -489.632
where: short stacking energy: -234.002
Base-Backbone interact. energy: 0.836
local terms energy: -298.411434
where:
bonds (distance) C4'-P energy: -68.474
bonds (distance) P-C4' energy: -55.941
flat angles C4'-P-C4' energy: -60.123
flat angles P-C4'-P energy: -49.567
tors. eta vs tors. theta energy: -64.307
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 382
Temperature: 1.100000
Total energy: -681.527915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -681.527915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -681.527915 (E_RNA)
where:
Base-Base interactions energy: -398.062
where: short stacking energy: -192.028
Base-Backbone interact. energy: -4.594
local terms energy: -278.872077
where:
bonds (distance) C4'-P energy: -58.949
bonds (distance) P-C4' energy: -62.793
flat angles C4'-P-C4' energy: -72.550
flat angles P-C4'-P energy: -41.724
tors. eta vs tors. theta energy: -42.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 382
Temperature: 1.150000
Total energy: -443.418184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -443.418184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -443.418184 (E_RNA)
where:
Base-Base interactions energy: -200.759
where: short stacking energy: -114.299
Base-Backbone interact. energy: 0.151
local terms energy: -242.810360
where:
bonds (distance) C4'-P energy: -66.548
bonds (distance) P-C4' energy: -61.869
flat angles C4'-P-C4' energy: -58.324
flat angles P-C4'-P energy: -37.424
tors. eta vs tors. theta energy: -18.646
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: 8
=====================================
Write number: 382
Temperature: 1.200000
Total energy: -351.930391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.930391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.930391 (E_RNA)
where:
Base-Base interactions energy: -134.079
where: short stacking energy: -85.026
Base-Backbone interact. energy: -0.959
local terms energy: -216.891576
where:
bonds (distance) C4'-P energy: -71.106
bonds (distance) P-C4' energy: -67.785
flat angles C4'-P-C4' energy: -47.089
flat angles P-C4'-P energy: -38.741
tors. eta vs tors. theta energy: 7.829
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 382
Temperature: 1.250000
Total energy: -318.923730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.923730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.923730 (E_RNA)
where:
Base-Base interactions energy: -111.060
where: short stacking energy: -97.675
Base-Backbone interact. energy: -1.750
local terms energy: -206.114413
where:
bonds (distance) C4'-P energy: -54.207
bonds (distance) P-C4' energy: -57.871
flat angles C4'-P-C4' energy: -49.477
flat angles P-C4'-P energy: -41.782
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: 9, replica: 2
=====================================
Write number: 382
Temperature: 1.300000
Total energy: -283.583830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.583830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.583830 (E_RNA)
where:
Base-Base interactions energy: -94.639
where: short stacking energy: -72.577
Base-Backbone interact. energy: -0.562
local terms energy: -188.382278
where:
bonds (distance) C4'-P energy: -48.823
bonds (distance) P-C4' energy: -62.023
flat angles C4'-P-C4' energy: -56.224
flat angles P-C4'-P energy: -28.922
tors. eta vs tors. theta energy: 7.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 382
Temperature: 1.350000
Total energy: -281.782657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.782657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.782657 (E_RNA)
where:
Base-Base interactions energy: -102.267
where: short stacking energy: -60.878
Base-Backbone interact. energy: -3.230
local terms energy: -176.285456
where:
bonds (distance) C4'-P energy: -59.266
bonds (distance) P-C4' energy: -47.585
flat angles C4'-P-C4' energy: -57.116
flat angles P-C4'-P energy: -31.246
tors. eta vs tors. theta energy: 18.927
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: 1, replica: 4
=====================================
Write number: 383
Temperature: 0.900000
Total energy: -1135.406701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1135.406701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1135.406701 (E_RNA)
where:
Base-Base interactions energy: -753.971
where: short stacking energy: -340.416
Base-Backbone interact. energy: -0.728
local terms energy: -380.707770
where:
bonds (distance) C4'-P energy: -67.906
bonds (distance) P-C4' energy: -72.913
flat angles C4'-P-C4' energy: -79.790
flat angles P-C4'-P energy: -47.873
tors. eta vs tors. theta energy: -112.225
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: 383
Temperature: 0.950000
Total energy: -1011.486769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1011.486769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1011.486769 (E_RNA)
where:
Base-Base interactions energy: -662.633
where: short stacking energy: -300.493
Base-Backbone interact. energy: -0.988
local terms energy: -347.866071
where:
bonds (distance) C4'-P energy: -75.558
bonds (distance) P-C4' energy: -63.712
flat angles C4'-P-C4' energy: -74.617
flat angles P-C4'-P energy: -45.939
tors. eta vs tors. theta energy: -88.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 383
Temperature: 1.000000
Total energy: -874.491112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -874.491112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -874.491112 (E_RNA)
where:
Base-Base interactions energy: -564.147
where: short stacking energy: -264.792
Base-Backbone interact. energy: -1.472
local terms energy: -308.872165
where:
bonds (distance) C4'-P energy: -55.339
bonds (distance) P-C4' energy: -55.628
flat angles C4'-P-C4' energy: -69.978
flat angles P-C4'-P energy: -47.192
tors. eta vs tors. theta energy: -80.735
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: 4, replica: 3
=====================================
Write number: 383
Temperature: 1.050000
Total energy: -866.547894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -866.547894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -866.547894 (E_RNA)
where:
Base-Base interactions energy: -543.944
where: short stacking energy: -270.670
Base-Backbone interact. energy: -0.754
local terms energy: -321.850035
where:
bonds (distance) C4'-P energy: -62.806
bonds (distance) P-C4' energy: -64.966
flat angles C4'-P-C4' energy: -73.727
flat angles P-C4'-P energy: -39.240
tors. eta vs tors. theta energy: -81.111
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 383
Temperature: 1.100000
Total energy: -683.895694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -683.895694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -683.895694 (E_RNA)
where:
Base-Base interactions energy: -408.186
where: short stacking energy: -190.729
Base-Backbone interact. energy: -1.322
local terms energy: -274.388471
where:
bonds (distance) C4'-P energy: -58.165
bonds (distance) P-C4' energy: -58.239
flat angles C4'-P-C4' energy: -65.621
flat angles P-C4'-P energy: -43.049
tors. eta vs tors. theta energy: -49.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 383
Temperature: 1.150000
Total energy: -534.075854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.075854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.075854 (E_RNA)
where:
Base-Base interactions energy: -290.492
where: short stacking energy: -154.120
Base-Backbone interact. energy: 0.604
local terms energy: -244.188271
where:
bonds (distance) C4'-P energy: -60.928
bonds (distance) P-C4' energy: -59.703
flat angles C4'-P-C4' energy: -63.301
flat angles P-C4'-P energy: -36.991
tors. eta vs tors. theta energy: -23.266
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 383
Temperature: 1.200000
Total energy: -362.607188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.607188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.607188 (E_RNA)
where:
Base-Base interactions energy: -145.220
where: short stacking energy: -100.054
Base-Backbone interact. energy: -0.076
local terms energy: -217.310761
where:
bonds (distance) C4'-P energy: -54.826
bonds (distance) P-C4' energy: -63.226
flat angles C4'-P-C4' energy: -57.193
flat angles P-C4'-P energy: -35.382
tors. eta vs tors. theta energy: -6.684
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 383
Temperature: 1.250000
Total energy: -317.917004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.917004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.917004 (E_RNA)
where:
Base-Base interactions energy: -91.745
where: short stacking energy: -85.152
Base-Backbone interact. energy: -1.919
local terms energy: -224.252616
where:
bonds (distance) C4'-P energy: -60.968
bonds (distance) P-C4' energy: -71.922
flat angles C4'-P-C4' energy: -47.062
flat angles P-C4'-P energy: -38.073
tors. eta vs tors. theta energy: -6.227
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: 9, replica: 2
=====================================
Write number: 383
Temperature: 1.300000
Total energy: -297.050726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.050726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.050726 (E_RNA)
where:
Base-Base interactions energy: -92.661
where: short stacking energy: -68.970
Base-Backbone interact. energy: 0.370
local terms energy: -204.760082
where:
bonds (distance) C4'-P energy: -60.798
bonds (distance) P-C4' energy: -66.543
flat angles C4'-P-C4' energy: -52.343
flat angles P-C4'-P energy: -27.317
tors. eta vs tors. theta energy: 2.242
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: 10
=====================================
Write number: 383
Temperature: 1.350000
Total energy: -282.408613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.408613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.408613 (E_RNA)
where:
Base-Base interactions energy: -84.050
where: short stacking energy: -76.092
Base-Backbone interact. energy: 4.843
local terms energy: -203.201191
where:
bonds (distance) C4'-P energy: -55.035
bonds (distance) P-C4' energy: -51.277
flat angles C4'-P-C4' energy: -63.250
flat angles P-C4'-P energy: -31.026
tors. eta vs tors. theta energy: -2.612
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 384
Temperature: 0.900000
Total energy: -1105.095901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1105.095901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1105.095901 (E_RNA)
where:
Base-Base interactions energy: -736.008
where: short stacking energy: -327.924
Base-Backbone interact. energy: -1.504
local terms energy: -367.583747
where:
bonds (distance) C4'-P energy: -72.578
bonds (distance) P-C4' energy: -63.895
flat angles C4'-P-C4' energy: -68.136
flat angles P-C4'-P energy: -52.358
tors. eta vs tors. theta energy: -110.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 384
Temperature: 0.950000
Total energy: -994.303578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -994.303578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -994.303578 (E_RNA)
where:
Base-Base interactions energy: -630.249
where: short stacking energy: -294.647
Base-Backbone interact. energy: -1.111
local terms energy: -362.943108
where:
bonds (distance) C4'-P energy: -73.022
bonds (distance) P-C4' energy: -61.002
flat angles C4'-P-C4' energy: -78.515
flat angles P-C4'-P energy: -53.770
tors. eta vs tors. theta energy: -96.634
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 384
Temperature: 1.000000
Total energy: -925.372720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -925.372720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -925.372720 (E_RNA)
where:
Base-Base interactions energy: -589.729
where: short stacking energy: -278.167
Base-Backbone interact. energy: -0.956
local terms energy: -334.687445
where:
bonds (distance) C4'-P energy: -57.019
bonds (distance) P-C4' energy: -66.186
flat angles C4'-P-C4' energy: -73.304
flat angles P-C4'-P energy: -46.534
tors. eta vs tors. theta energy: -91.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 384
Temperature: 1.050000
Total energy: -880.702314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -880.702314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -880.702314 (E_RNA)
where:
Base-Base interactions energy: -548.416
where: short stacking energy: -260.416
Base-Backbone interact. energy: -1.239
local terms energy: -331.047414
where:
bonds (distance) C4'-P energy: -63.521
bonds (distance) P-C4' energy: -60.200
flat angles C4'-P-C4' energy: -72.880
flat angles P-C4'-P energy: -43.794
tors. eta vs tors. theta energy: -90.653
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: 6
=====================================
Write number: 384
Temperature: 1.100000
Total energy: -679.960938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -679.960938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -679.960938 (E_RNA)
where:
Base-Base interactions energy: -411.931
where: short stacking energy: -210.762
Base-Backbone interact. energy: 1.179
local terms energy: -269.209190
where:
bonds (distance) C4'-P energy: -52.559
bonds (distance) P-C4' energy: -66.200
flat angles C4'-P-C4' energy: -61.942
flat angles P-C4'-P energy: -38.822
tors. eta vs tors. theta energy: -49.687
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: 7
=====================================
Write number: 384
Temperature: 1.150000
Total energy: -497.370288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.370288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.370288 (E_RNA)
where:
Base-Base interactions energy: -268.721
where: short stacking energy: -111.431
Base-Backbone interact. energy: -1.873
local terms energy: -226.777241
where:
bonds (distance) C4'-P energy: -55.094
bonds (distance) P-C4' energy: -68.554
flat angles C4'-P-C4' energy: -59.110
flat angles P-C4'-P energy: -39.133
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: 7, replica: 8
=====================================
Write number: 384
Temperature: 1.200000
Total energy: -338.889439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.889439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.889439 (E_RNA)
where:
Base-Base interactions energy: -127.127
where: short stacking energy: -81.016
Base-Backbone interact. energy: 3.436
local terms energy: -215.198792
where:
bonds (distance) C4'-P energy: -63.007
bonds (distance) P-C4' energy: -68.820
flat angles C4'-P-C4' energy: -48.655
flat angles P-C4'-P energy: -35.952
tors. eta vs tors. theta energy: 1.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 384
Temperature: 1.250000
Total energy: -293.921078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.921078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.921078 (E_RNA)
where:
Base-Base interactions energy: -108.323
where: short stacking energy: -101.089
Base-Backbone interact. energy: 0.876
local terms energy: -186.473405
where:
bonds (distance) C4'-P energy: -48.904
bonds (distance) P-C4' energy: -59.505
flat angles C4'-P-C4' energy: -42.635
flat angles P-C4'-P energy: -39.226
tors. eta vs tors. theta energy: 3.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 384
Temperature: 1.300000
Total energy: -281.048333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.048333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.048333 (E_RNA)
where:
Base-Base interactions energy: -94.529
where: short stacking energy: -75.183
Base-Backbone interact. energy: -1.546
local terms energy: -184.972826
where:
bonds (distance) C4'-P energy: -61.951
bonds (distance) P-C4' energy: -56.996
flat angles C4'-P-C4' energy: -49.948
flat angles P-C4'-P energy: -20.208
tors. eta vs tors. theta energy: 4.129
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 384
Temperature: 1.350000
Total energy: -271.736297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.736297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.736297 (E_RNA)
where:
Base-Base interactions energy: -82.769
where: short stacking energy: -63.518
Base-Backbone interact. energy: -1.618
local terms energy: -187.350052
where:
bonds (distance) C4'-P energy: -56.416
bonds (distance) P-C4' energy: -65.290
flat angles C4'-P-C4' energy: -43.189
flat angles P-C4'-P energy: -35.125
tors. eta vs tors. theta energy: 12.669
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: 1, replica: 4
=====================================
Write number: 385
Temperature: 0.900000
Total energy: -1126.531911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1126.531911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1126.531911 (E_RNA)
where:
Base-Base interactions energy: -771.704
where: short stacking energy: -341.260
Base-Backbone interact. energy: 2.566
local terms energy: -357.394366
where:
bonds (distance) C4'-P energy: -70.800
bonds (distance) P-C4' energy: -69.677
flat angles C4'-P-C4' energy: -65.051
flat angles P-C4'-P energy: -45.088
tors. eta vs tors. theta energy: -106.778
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 385
Temperature: 0.950000
Total energy: -958.805093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -958.805093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -958.805093 (E_RNA)
where:
Base-Base interactions energy: -600.608
where: short stacking energy: -272.847
Base-Backbone interact. energy: -2.758
local terms energy: -355.439101
where:
bonds (distance) C4'-P energy: -69.376
bonds (distance) P-C4' energy: -65.320
flat angles C4'-P-C4' energy: -76.887
flat angles P-C4'-P energy: -50.536
tors. eta vs tors. theta energy: -93.319
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 385
Temperature: 1.000000
Total energy: -981.335357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -981.335357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -981.335357 (E_RNA)
where:
Base-Base interactions energy: -646.929
where: short stacking energy: -289.318
Base-Backbone interact. energy: 0.340
local terms energy: -334.746665
where:
bonds (distance) C4'-P energy: -62.138
bonds (distance) P-C4' energy: -67.965
flat angles C4'-P-C4' energy: -68.683
flat angles P-C4'-P energy: -41.413
tors. eta vs tors. theta energy: -94.548
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: 3
=====================================
Write number: 385
Temperature: 1.050000
Total energy: -915.274245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -915.274245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -915.274245 (E_RNA)
where:
Base-Base interactions energy: -591.506
where: short stacking energy: -269.241
Base-Backbone interact. energy: 0.246
local terms energy: -324.013350
where:
bonds (distance) C4'-P energy: -63.915
bonds (distance) P-C4' energy: -64.863
flat angles C4'-P-C4' energy: -63.283
flat angles P-C4'-P energy: -44.196
tors. eta vs tors. theta energy: -87.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 385
Temperature: 1.100000
Total energy: -683.093258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -683.093258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -683.093258 (E_RNA)
where:
Base-Base interactions energy: -386.453
where: short stacking energy: -190.516
Base-Backbone interact. energy: -0.718
local terms energy: -295.922898
where:
bonds (distance) C4'-P energy: -66.119
bonds (distance) P-C4' energy: -68.049
flat angles C4'-P-C4' energy: -65.755
flat angles P-C4'-P energy: -44.397
tors. eta vs tors. theta energy: -51.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 385
Temperature: 1.150000
Total energy: -465.459647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -465.459647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -465.459647 (E_RNA)
where:
Base-Base interactions energy: -232.881
where: short stacking energy: -123.169
Base-Backbone interact. energy: -2.341
local terms energy: -230.237632
where:
bonds (distance) C4'-P energy: -56.351
bonds (distance) P-C4' energy: -73.561
flat angles C4'-P-C4' energy: -53.420
flat angles P-C4'-P energy: -44.514
tors. eta vs tors. theta energy: -2.391
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: 8
=====================================
Write number: 385
Temperature: 1.200000
Total energy: -348.162914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.162914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.162914 (E_RNA)
where:
Base-Base interactions energy: -138.065
where: short stacking energy: -100.693
Base-Backbone interact. energy: -1.458
local terms energy: -208.640384
where:
bonds (distance) C4'-P energy: -61.193
bonds (distance) P-C4' energy: -60.922
flat angles C4'-P-C4' energy: -62.605
flat angles P-C4'-P energy: -25.047
tors. eta vs tors. theta energy: 1.127
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: 10
=====================================
Write number: 385
Temperature: 1.250000
Total energy: -331.689623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.689623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.689623 (E_RNA)
where:
Base-Base interactions energy: -101.951
where: short stacking energy: -93.650
Base-Backbone interact. energy: -0.265
local terms energy: -229.473301
where:
bonds (distance) C4'-P energy: -64.864
bonds (distance) P-C4' energy: -67.783
flat angles C4'-P-C4' energy: -60.819
flat angles P-C4'-P energy: -43.973
tors. eta vs tors. theta energy: 7.966
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 385
Temperature: 1.300000
Total energy: -302.680163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.680163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.680163 (E_RNA)
where:
Base-Base interactions energy: -108.540
where: short stacking energy: -69.317
Base-Backbone interact. energy: -1.046
local terms energy: -193.093992
where:
bonds (distance) C4'-P energy: -58.900
bonds (distance) P-C4' energy: -59.382
flat angles C4'-P-C4' energy: -49.821
flat angles P-C4'-P energy: -27.211
tors. eta vs tors. theta energy: 2.220
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: 10, replica: 2
=====================================
Write number: 385
Temperature: 1.350000
Total energy: -272.877189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.877189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.877189 (E_RNA)
where:
Base-Base interactions energy: -113.041
where: short stacking energy: -62.117
Base-Backbone interact. energy: 1.973
local terms energy: -161.809410
where:
bonds (distance) C4'-P energy: -58.311
bonds (distance) P-C4' energy: -59.230
flat angles C4'-P-C4' energy: -40.238
flat angles P-C4'-P energy: -25.986
tors. eta vs tors. theta energy: 21.955
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: 4
=====================================
Write number: 386
Temperature: 0.900000
Total energy: -1120.030977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1120.030977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1120.030977 (E_RNA)
where:
Base-Base interactions energy: -727.192
where: short stacking energy: -325.502
Base-Backbone interact. energy: -1.315
local terms energy: -391.523984
where:
bonds (distance) C4'-P energy: -70.138
bonds (distance) P-C4' energy: -80.615
flat angles C4'-P-C4' energy: -72.279
flat angles P-C4'-P energy: -55.120
tors. eta vs tors. theta energy: -113.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 386
Temperature: 0.950000
Total energy: -1003.523939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1003.523939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1003.523939 (E_RNA)
where:
Base-Base interactions energy: -624.300
where: short stacking energy: -308.694
Base-Backbone interact. energy: -0.431
local terms energy: -378.793669
where:
bonds (distance) C4'-P energy: -68.049
bonds (distance) P-C4' energy: -76.298
flat angles C4'-P-C4' energy: -74.976
flat angles P-C4'-P energy: -49.389
tors. eta vs tors. theta energy: -110.082
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 386
Temperature: 1.000000
Total energy: -974.519347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -974.519347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -974.519347 (E_RNA)
where:
Base-Base interactions energy: -641.970
where: short stacking energy: -292.296
Base-Backbone interact. energy: 8.032
local terms energy: -340.581258
where:
bonds (distance) C4'-P energy: -64.531
bonds (distance) P-C4' energy: -69.050
flat angles C4'-P-C4' energy: -68.164
flat angles P-C4'-P energy: -54.488
tors. eta vs tors. theta energy: -84.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 386
Temperature: 1.050000
Total energy: -882.797238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -882.797238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -882.797238 (E_RNA)
where:
Base-Base interactions energy: -570.561
where: short stacking energy: -265.938
Base-Backbone interact. energy: 1.505
local terms energy: -313.741236
where:
bonds (distance) C4'-P energy: -58.093
bonds (distance) P-C4' energy: -62.398
flat angles C4'-P-C4' energy: -61.802
flat angles P-C4'-P energy: -49.201
tors. eta vs tors. theta energy: -82.248
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: 6
=====================================
Write number: 386
Temperature: 1.100000
Total energy: -712.402073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -712.402073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -712.402073 (E_RNA)
where:
Base-Base interactions energy: -419.644
where: short stacking energy: -209.354
Base-Backbone interact. energy: -1.761
local terms energy: -290.997113
where:
bonds (distance) C4'-P energy: -65.490
bonds (distance) P-C4' energy: -61.287
flat angles C4'-P-C4' energy: -65.959
flat angles P-C4'-P energy: -33.914
tors. eta vs tors. theta energy: -64.347
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: 7
=====================================
Write number: 386
Temperature: 1.150000
Total energy: -521.293558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.293558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.293558 (E_RNA)
where:
Base-Base interactions energy: -302.525
where: short stacking energy: -154.792
Base-Backbone interact. energy: 2.677
local terms energy: -221.445602
where:
bonds (distance) C4'-P energy: -54.943
bonds (distance) P-C4' energy: -64.301
flat angles C4'-P-C4' energy: -51.506
flat angles P-C4'-P energy: -35.782
tors. eta vs tors. theta energy: -14.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 386
Temperature: 1.200000
Total energy: -337.760491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.760491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.760491 (E_RNA)
where:
Base-Base interactions energy: -126.388
where: short stacking energy: -90.931
Base-Backbone interact. energy: 0.830
local terms energy: -212.202073
where:
bonds (distance) C4'-P energy: -60.617
bonds (distance) P-C4' energy: -58.787
flat angles C4'-P-C4' energy: -64.132
flat angles P-C4'-P energy: -25.974
tors. eta vs tors. theta energy: -2.691
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 386
Temperature: 1.250000
Total energy: -308.751026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.751026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.751026 (E_RNA)
where:
Base-Base interactions energy: -121.203
where: short stacking energy: -91.583
Base-Backbone interact. energy: -1.469
local terms energy: -186.078749
where:
bonds (distance) C4'-P energy: -50.011
bonds (distance) P-C4' energy: -65.110
flat angles C4'-P-C4' energy: -49.901
flat angles P-C4'-P energy: -22.692
tors. eta vs tors. theta energy: 1.635
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 386
Temperature: 1.300000
Total energy: -299.618212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.618212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.618212 (E_RNA)
where:
Base-Base interactions energy: -110.922
where: short stacking energy: -77.267
Base-Backbone interact. energy: -0.545
local terms energy: -188.151000
where:
bonds (distance) C4'-P energy: -48.510
bonds (distance) P-C4' energy: -67.155
flat angles C4'-P-C4' energy: -53.295
flat angles P-C4'-P energy: -17.948
tors. eta vs tors. theta energy: -1.243
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 386
Temperature: 1.350000
Total energy: -271.415437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.415437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.415437 (E_RNA)
where:
Base-Base interactions energy: -74.310
where: short stacking energy: -70.211
Base-Backbone interact. energy: 0.251
local terms energy: -197.356789
where:
bonds (distance) C4'-P energy: -58.754
bonds (distance) P-C4' energy: -66.991
flat angles C4'-P-C4' energy: -47.005
flat angles P-C4'-P energy: -37.952
tors. eta vs tors. theta energy: 13.345
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: 4
=====================================
Write number: 387
Temperature: 0.900000
Total energy: -1100.101876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1100.101876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1100.101876 (E_RNA)
where:
Base-Base interactions energy: -726.635
where: short stacking energy: -330.683
Base-Backbone interact. energy: -1.468
local terms energy: -371.999215
where:
bonds (distance) C4'-P energy: -67.845
bonds (distance) P-C4' energy: -69.972
flat angles C4'-P-C4' energy: -68.759
flat angles P-C4'-P energy: -55.745
tors. eta vs tors. theta energy: -109.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 387
Temperature: 0.950000
Total energy: -1028.956961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1028.956961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1028.956961 (E_RNA)
where:
Base-Base interactions energy: -662.199
where: short stacking energy: -324.221
Base-Backbone interact. energy: -2.321
local terms energy: -364.436806
where:
bonds (distance) C4'-P energy: -67.873
bonds (distance) P-C4' energy: -57.553
flat angles C4'-P-C4' energy: -78.709
flat angles P-C4'-P energy: -52.274
tors. eta vs tors. theta energy: -108.028
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 387
Temperature: 1.000000
Total energy: -1015.474267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1015.474267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1015.474267 (E_RNA)
where:
Base-Base interactions energy: -677.388
where: short stacking energy: -290.033
Base-Backbone interact. energy: -0.227
local terms energy: -337.859406
where:
bonds (distance) C4'-P energy: -62.833
bonds (distance) P-C4' energy: -61.142
flat angles C4'-P-C4' energy: -67.443
flat angles P-C4'-P energy: -55.219
tors. eta vs tors. theta energy: -91.222
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 387
Temperature: 1.050000
Total energy: -862.490744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -862.490744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -862.490744 (E_RNA)
where:
Base-Base interactions energy: -537.847
where: short stacking energy: -240.717
Base-Backbone interact. energy: -1.631
local terms energy: -323.013506
where:
bonds (distance) C4'-P energy: -59.287
bonds (distance) P-C4' energy: -69.282
flat angles C4'-P-C4' energy: -73.565
flat angles P-C4'-P energy: -45.374
tors. eta vs tors. theta energy: -75.505
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 387
Temperature: 1.100000
Total energy: -718.730078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -718.730078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -718.730078 (E_RNA)
where:
Base-Base interactions energy: -427.096
where: short stacking energy: -202.376
Base-Backbone interact. energy: 2.047
local terms energy: -293.681007
where:
bonds (distance) C4'-P energy: -65.332
bonds (distance) P-C4' energy: -61.949
flat angles C4'-P-C4' energy: -67.561
flat angles P-C4'-P energy: -46.269
tors. eta vs tors. theta energy: -52.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 387
Temperature: 1.150000
Total energy: -550.605713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -550.605713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -550.605713 (E_RNA)
where:
Base-Base interactions energy: -324.003
where: short stacking energy: -153.711
Base-Backbone interact. energy: -2.652
local terms energy: -223.951452
where:
bonds (distance) C4'-P energy: -51.401
bonds (distance) P-C4' energy: -63.798
flat angles C4'-P-C4' energy: -49.759
flat angles P-C4'-P energy: -35.107
tors. eta vs tors. theta energy: -23.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 387
Temperature: 1.200000
Total energy: -369.777268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.777268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.777268 (E_RNA)
where:
Base-Base interactions energy: -153.793
where: short stacking energy: -107.227
Base-Backbone interact. energy: -2.067
local terms energy: -213.917390
where:
bonds (distance) C4'-P energy: -65.186
bonds (distance) P-C4' energy: -60.152
flat angles C4'-P-C4' energy: -54.649
flat angles P-C4'-P energy: -39.489
tors. eta vs tors. theta energy: 5.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 387
Temperature: 1.250000
Total energy: -337.113866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.113866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.113866 (E_RNA)
where:
Base-Base interactions energy: -119.517
where: short stacking energy: -94.494
Base-Backbone interact. energy: -2.971
local terms energy: -214.625518
where:
bonds (distance) C4'-P energy: -65.757
bonds (distance) P-C4' energy: -59.181
flat angles C4'-P-C4' energy: -54.365
flat angles P-C4'-P energy: -27.901
tors. eta vs tors. theta energy: -7.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 387
Temperature: 1.300000
Total energy: -303.920727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.920727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.920727 (E_RNA)
where:
Base-Base interactions energy: -112.961
where: short stacking energy: -74.336
Base-Backbone interact. energy: -0.796
local terms energy: -190.163570
where:
bonds (distance) C4'-P energy: -54.786
bonds (distance) P-C4' energy: -57.652
flat angles C4'-P-C4' energy: -57.272
flat angles P-C4'-P energy: -29.142
tors. eta vs tors. theta energy: 8.687
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 387
Temperature: 1.350000
Total energy: -259.884692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.884692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.884692 (E_RNA)
where:
Base-Base interactions energy: -68.798
where: short stacking energy: -65.327
Base-Backbone interact. energy: 0.455
local terms energy: -191.541523
where:
bonds (distance) C4'-P energy: -62.263
bonds (distance) P-C4' energy: -60.853
flat angles C4'-P-C4' energy: -54.104
flat angles P-C4'-P energy: -21.103
tors. eta vs tors. theta energy: 6.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 388
Temperature: 0.900000
Total energy: -1104.977596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1104.977596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1104.977596 (E_RNA)
where:
Base-Base interactions energy: -731.039
where: short stacking energy: -318.730
Base-Backbone interact. energy: 1.501
local terms energy: -375.438855
where:
bonds (distance) C4'-P energy: -71.018
bonds (distance) P-C4' energy: -66.252
flat angles C4'-P-C4' energy: -82.754
flat angles P-C4'-P energy: -47.627
tors. eta vs tors. theta energy: -107.788
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: 5
=====================================
Write number: 388
Temperature: 0.950000
Total energy: -1002.303984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1002.303984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1002.303984 (E_RNA)
where:
Base-Base interactions energy: -633.529
where: short stacking energy: -300.791
Base-Backbone interact. energy: 3.278
local terms energy: -372.052748
where:
bonds (distance) C4'-P energy: -70.025
bonds (distance) P-C4' energy: -70.185
flat angles C4'-P-C4' energy: -84.600
flat angles P-C4'-P energy: -52.712
tors. eta vs tors. theta energy: -94.530
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 388
Temperature: 1.000000
Total energy: -989.537347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -989.537347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -989.537347 (E_RNA)
where:
Base-Base interactions energy: -663.763
where: short stacking energy: -280.738
Base-Backbone interact. energy: -1.067
local terms energy: -324.707539
where:
bonds (distance) C4'-P energy: -61.891
bonds (distance) P-C4' energy: -59.142
flat angles C4'-P-C4' energy: -67.227
flat angles P-C4'-P energy: -52.757
tors. eta vs tors. theta energy: -83.690
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 388
Temperature: 1.050000
Total energy: -819.775282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -819.775282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -819.775282 (E_RNA)
where:
Base-Base interactions energy: -524.116
where: short stacking energy: -228.132
Base-Backbone interact. energy: -1.786
local terms energy: -293.873574
where:
bonds (distance) C4'-P energy: -62.789
bonds (distance) P-C4' energy: -68.282
flat angles C4'-P-C4' energy: -70.760
flat angles P-C4'-P energy: -38.133
tors. eta vs tors. theta energy: -53.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 388
Temperature: 1.100000
Total energy: -706.431789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -706.431789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -706.431789 (E_RNA)
where:
Base-Base interactions energy: -413.180
where: short stacking energy: -191.483
Base-Backbone interact. energy: -0.938
local terms energy: -292.313378
where:
bonds (distance) C4'-P energy: -56.496
bonds (distance) P-C4' energy: -68.710
flat angles C4'-P-C4' energy: -64.350
flat angles P-C4'-P energy: -49.322
tors. eta vs tors. theta energy: -53.435
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 388
Temperature: 1.150000
Total energy: -498.818652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.818652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.818652 (E_RNA)
where:
Base-Base interactions energy: -241.952
where: short stacking energy: -126.313
Base-Backbone interact. energy: -0.921
local terms energy: -255.945586
where:
bonds (distance) C4'-P energy: -63.276
bonds (distance) P-C4' energy: -57.468
flat angles C4'-P-C4' energy: -60.081
flat angles P-C4'-P energy: -46.382
tors. eta vs tors. theta energy: -28.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 388
Temperature: 1.200000
Total energy: -342.345027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.345027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.345027 (E_RNA)
where:
Base-Base interactions energy: -111.079
where: short stacking energy: -100.024
Base-Backbone interact. energy: -1.697
local terms energy: -229.568511
where:
bonds (distance) C4'-P energy: -69.510
bonds (distance) P-C4' energy: -60.575
flat angles C4'-P-C4' energy: -50.159
flat angles P-C4'-P energy: -45.497
tors. eta vs tors. theta energy: -3.828
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: 8, replica: 10
=====================================
Write number: 388
Temperature: 1.250000
Total energy: -330.961235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.961235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.961235 (E_RNA)
where:
Base-Base interactions energy: -115.911
where: short stacking energy: -81.604
Base-Backbone interact. energy: -0.862
local terms energy: -214.188265
where:
bonds (distance) C4'-P energy: -60.066
bonds (distance) P-C4' energy: -65.490
flat angles C4'-P-C4' energy: -46.401
flat angles P-C4'-P energy: -41.036
tors. eta vs tors. theta energy: -1.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 388
Temperature: 1.300000
Total energy: -271.955084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.955084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.955084 (E_RNA)
where:
Base-Base interactions energy: -95.044
where: short stacking energy: -74.357
Base-Backbone interact. energy: -1.323
local terms energy: -175.588251
where:
bonds (distance) C4'-P energy: -57.506
bonds (distance) P-C4' energy: -54.271
flat angles C4'-P-C4' energy: -42.080
flat angles P-C4'-P energy: -32.158
tors. eta vs tors. theta energy: 10.426
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: 2
=====================================
Write number: 388
Temperature: 1.350000
Total energy: -269.893292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.893292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.893292 (E_RNA)
where:
Base-Base interactions energy: -82.408
where: short stacking energy: -65.460
Base-Backbone interact. energy: -1.625
local terms energy: -185.860341
where:
bonds (distance) C4'-P energy: -54.400
bonds (distance) P-C4' energy: -66.857
flat angles C4'-P-C4' energy: -42.099
flat angles P-C4'-P energy: -22.101
tors. eta vs tors. theta energy: -0.404
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: 1, replica: 4
=====================================
Write number: 389
Temperature: 0.900000
Total energy: -1093.212902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1093.212902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1093.212902 (E_RNA)
where:
Base-Base interactions energy: -737.233
where: short stacking energy: -335.100
Base-Backbone interact. energy: -1.127
local terms energy: -354.852971
where:
bonds (distance) C4'-P energy: -62.289
bonds (distance) P-C4' energy: -70.803
flat angles C4'-P-C4' energy: -69.580
flat angles P-C4'-P energy: -43.948
tors. eta vs tors. theta energy: -108.232
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: 5
=====================================
Write number: 389
Temperature: 0.950000
Total energy: -988.779814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -988.779814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -988.779814 (E_RNA)
where:
Base-Base interactions energy: -651.321
where: short stacking energy: -310.094
Base-Backbone interact. energy: 0.823
local terms energy: -338.281234
where:
bonds (distance) C4'-P energy: -59.992
bonds (distance) P-C4' energy: -64.358
flat angles C4'-P-C4' energy: -67.047
flat angles P-C4'-P energy: -49.224
tors. eta vs tors. theta energy: -97.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 389
Temperature: 1.000000
Total energy: -983.745852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -983.745852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -983.745852 (E_RNA)
where:
Base-Base interactions energy: -632.468
where: short stacking energy: -292.143
Base-Backbone interact. energy: -2.578
local terms energy: -348.699295
where:
bonds (distance) C4'-P energy: -60.018
bonds (distance) P-C4' energy: -68.892
flat angles C4'-P-C4' energy: -80.627
flat angles P-C4'-P energy: -48.097
tors. eta vs tors. theta energy: -91.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 389
Temperature: 1.050000
Total energy: -848.856809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -848.856809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -848.856809 (E_RNA)
where:
Base-Base interactions energy: -542.879
where: short stacking energy: -238.641
Base-Backbone interact. energy: -1.419
local terms energy: -304.558603
where:
bonds (distance) C4'-P energy: -66.966
bonds (distance) P-C4' energy: -60.699
flat angles C4'-P-C4' energy: -70.503
flat angles P-C4'-P energy: -44.511
tors. eta vs tors. theta energy: -61.880
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: 5, replica: 6
=====================================
Write number: 389
Temperature: 1.100000
Total energy: -714.056702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -714.056702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -714.056702 (E_RNA)
where:
Base-Base interactions energy: -421.873
where: short stacking energy: -184.364
Base-Backbone interact. energy: 2.940
local terms energy: -295.124018
where:
bonds (distance) C4'-P energy: -60.438
bonds (distance) P-C4' energy: -69.383
flat angles C4'-P-C4' energy: -66.505
flat angles P-C4'-P energy: -49.843
tors. eta vs tors. theta energy: -48.954
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 389
Temperature: 1.150000
Total energy: -480.969099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -480.969099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -480.969099 (E_RNA)
where:
Base-Base interactions energy: -248.365
where: short stacking energy: -141.509
Base-Backbone interact. energy: 1.499
local terms energy: -234.102441
where:
bonds (distance) C4'-P energy: -56.525
bonds (distance) P-C4' energy: -56.057
flat angles C4'-P-C4' energy: -59.701
flat angles P-C4'-P energy: -43.704
tors. eta vs tors. theta energy: -18.115
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: 8
=====================================
Write number: 389
Temperature: 1.200000
Total energy: -334.447397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.447397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.447397 (E_RNA)
where:
Base-Base interactions energy: -122.150
where: short stacking energy: -93.059
Base-Backbone interact. energy: 6.819
local terms energy: -219.116608
where:
bonds (distance) C4'-P energy: -60.452
bonds (distance) P-C4' energy: -69.998
flat angles C4'-P-C4' energy: -53.265
flat angles P-C4'-P energy: -41.102
tors. eta vs tors. theta energy: 5.700
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 389
Temperature: 1.250000
Total energy: -320.635489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.635489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.635489 (E_RNA)
where:
Base-Base interactions energy: -102.509
where: short stacking energy: -95.289
Base-Backbone interact. energy: -0.822
local terms energy: -217.304013
where:
bonds (distance) C4'-P energy: -59.432
bonds (distance) P-C4' energy: -66.973
flat angles C4'-P-C4' energy: -53.587
flat angles P-C4'-P energy: -33.671
tors. eta vs tors. theta energy: -3.641
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 389
Temperature: 1.300000
Total energy: -291.568874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.568874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.568874 (E_RNA)
where:
Base-Base interactions energy: -94.532
where: short stacking energy: -54.298
Base-Backbone interact. energy: 1.495
local terms energy: -198.532168
where:
bonds (distance) C4'-P energy: -56.180
bonds (distance) P-C4' energy: -67.647
flat angles C4'-P-C4' energy: -53.858
flat angles P-C4'-P energy: -39.400
tors. eta vs tors. theta energy: 18.552
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 389
Temperature: 1.350000
Total energy: -262.497628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.497628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.497628 (E_RNA)
where:
Base-Base interactions energy: -68.598
where: short stacking energy: -65.723
Base-Backbone interact. energy: -0.821
local terms energy: -193.078400
where:
bonds (distance) C4'-P energy: -48.670
bonds (distance) P-C4' energy: -65.976
flat angles C4'-P-C4' energy: -57.373
flat angles P-C4'-P energy: -32.251
tors. eta vs tors. theta energy: 11.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 390
Temperature: 0.900000
Total energy: -1095.060993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1095.060993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1095.060993 (E_RNA)
where:
Base-Base interactions energy: -721.072
where: short stacking energy: -341.670
Base-Backbone interact. energy: -0.047
local terms energy: -373.941951
where:
bonds (distance) C4'-P energy: -75.291
bonds (distance) P-C4' energy: -63.296
flat angles C4'-P-C4' energy: -80.527
flat angles P-C4'-P energy: -46.045
tors. eta vs tors. theta energy: -108.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 390
Temperature: 0.950000
Total energy: -996.734690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -996.734690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -996.734690 (E_RNA)
where:
Base-Base interactions energy: -641.182
where: short stacking energy: -323.260
Base-Backbone interact. energy: -0.186
local terms energy: -355.367040
where:
bonds (distance) C4'-P energy: -66.810
bonds (distance) P-C4' energy: -63.742
flat angles C4'-P-C4' energy: -67.684
flat angles P-C4'-P energy: -53.031
tors. eta vs tors. theta energy: -104.101
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 390
Temperature: 1.000000
Total energy: -1026.442091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1026.442091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1026.442091 (E_RNA)
where:
Base-Base interactions energy: -671.579
where: short stacking energy: -316.196
Base-Backbone interact. energy: -2.560
local terms energy: -352.302248
where:
bonds (distance) C4'-P energy: -68.835
bonds (distance) P-C4' energy: -75.838
flat angles C4'-P-C4' energy: -59.597
flat angles P-C4'-P energy: -54.526
tors. eta vs tors. theta energy: -93.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 390
Temperature: 1.050000
Total energy: -841.637770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -841.637770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -841.637770 (E_RNA)
where:
Base-Base interactions energy: -529.425
where: short stacking energy: -249.143
Base-Backbone interact. energy: -1.034
local terms energy: -311.178541
where:
bonds (distance) C4'-P energy: -59.822
bonds (distance) P-C4' energy: -68.469
flat angles C4'-P-C4' energy: -70.245
flat angles P-C4'-P energy: -39.920
tors. eta vs tors. theta energy: -72.722
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: 6
=====================================
Write number: 390
Temperature: 1.100000
Total energy: -708.450153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -708.450153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -708.450153 (E_RNA)
where:
Base-Base interactions energy: -442.374
where: short stacking energy: -220.746
Base-Backbone interact. energy: 0.370
local terms energy: -266.445697
where:
bonds (distance) C4'-P energy: -54.999
bonds (distance) P-C4' energy: -63.053
flat angles C4'-P-C4' energy: -60.498
flat angles P-C4'-P energy: -42.108
tors. eta vs tors. theta energy: -45.788
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 390
Temperature: 1.150000
Total energy: -501.193013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.193013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.193013 (E_RNA)
where:
Base-Base interactions energy: -246.590
where: short stacking energy: -136.125
Base-Backbone interact. energy: -2.028
local terms energy: -252.574709
where:
bonds (distance) C4'-P energy: -54.221
bonds (distance) P-C4' energy: -66.377
flat angles C4'-P-C4' energy: -66.279
flat angles P-C4'-P energy: -42.926
tors. eta vs tors. theta energy: -22.771
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: 7, replica: 8
=====================================
Write number: 390
Temperature: 1.200000
Total energy: -342.363494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.363494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.363494 (E_RNA)
where:
Base-Base interactions energy: -125.031
where: short stacking energy: -84.570
Base-Backbone interact. energy: -1.048
local terms energy: -216.284099
where:
bonds (distance) C4'-P energy: -58.150
bonds (distance) P-C4' energy: -57.986
flat angles C4'-P-C4' energy: -57.398
flat angles P-C4'-P energy: -41.799
tors. eta vs tors. theta energy: -0.951
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 390
Temperature: 1.250000
Total energy: -313.504114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.504114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.504114 (E_RNA)
where:
Base-Base interactions energy: -128.439
where: short stacking energy: -100.878
Base-Backbone interact. energy: -1.756
local terms energy: -183.308850
where:
bonds (distance) C4'-P energy: -60.638
bonds (distance) P-C4' energy: -56.874
flat angles C4'-P-C4' energy: -59.650
flat angles P-C4'-P energy: -21.224
tors. eta vs tors. theta energy: 15.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 390
Temperature: 1.300000
Total energy: -306.588140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.588140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.588140 (E_RNA)
where:
Base-Base interactions energy: -104.574
where: short stacking energy: -88.477
Base-Backbone interact. energy: -1.288
local terms energy: -200.725944
where:
bonds (distance) C4'-P energy: -60.984
bonds (distance) P-C4' energy: -53.780
flat angles C4'-P-C4' energy: -46.732
flat angles P-C4'-P energy: -38.276
tors. eta vs tors. theta energy: -0.954
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 390
Temperature: 1.350000
Total energy: -269.469300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.469300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.469300 (E_RNA)
where:
Base-Base interactions energy: -85.851
where: short stacking energy: -56.950
Base-Backbone interact. energy: -1.569
local terms energy: -182.049737
where:
bonds (distance) C4'-P energy: -49.208
bonds (distance) P-C4' energy: -66.739
flat angles C4'-P-C4' energy: -44.424
flat angles P-C4'-P energy: -36.163
tors. eta vs tors. theta energy: 14.485
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: 4
=====================================
Write number: 391
Temperature: 0.900000
Total energy: -1080.783109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1080.783109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1080.783109 (E_RNA)
where:
Base-Base interactions energy: -724.170
where: short stacking energy: -329.700
Base-Backbone interact. energy: 4.593
local terms energy: -361.206595
where:
bonds (distance) C4'-P energy: -66.812
bonds (distance) P-C4' energy: -56.420
flat angles C4'-P-C4' energy: -73.655
flat angles P-C4'-P energy: -51.866
tors. eta vs tors. theta energy: -112.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 391
Temperature: 0.950000
Total energy: -991.944920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -991.944920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -991.944920 (E_RNA)
where:
Base-Base interactions energy: -627.992
where: short stacking energy: -292.589
Base-Backbone interact. energy: -1.100
local terms energy: -362.852132
where:
bonds (distance) C4'-P energy: -73.127
bonds (distance) P-C4' energy: -67.399
flat angles C4'-P-C4' energy: -69.063
flat angles P-C4'-P energy: -55.246
tors. eta vs tors. theta energy: -98.017
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 391
Temperature: 1.000000
Total energy: -963.667224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -963.667224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -963.667224 (E_RNA)
where:
Base-Base interactions energy: -617.737
where: short stacking energy: -297.289
Base-Backbone interact. energy: -0.143
local terms energy: -345.787080
where:
bonds (distance) C4'-P energy: -62.347
bonds (distance) P-C4' energy: -65.861
flat angles C4'-P-C4' energy: -79.239
flat angles P-C4'-P energy: -44.862
tors. eta vs tors. theta energy: -93.479
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 391
Temperature: 1.050000
Total energy: -875.122659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -875.122659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -875.122659 (E_RNA)
where:
Base-Base interactions energy: -562.358
where: short stacking energy: -273.805
Base-Backbone interact. energy: -1.579
local terms energy: -311.185646
where:
bonds (distance) C4'-P energy: -57.320
bonds (distance) P-C4' energy: -64.514
flat angles C4'-P-C4' energy: -74.370
flat angles P-C4'-P energy: -42.712
tors. eta vs tors. theta energy: -72.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 391
Temperature: 1.100000
Total energy: -693.328578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -693.328578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -693.328578 (E_RNA)
where:
Base-Base interactions energy: -393.752
where: short stacking energy: -201.563
Base-Backbone interact. energy: 0.125
local terms energy: -299.702364
where:
bonds (distance) C4'-P energy: -66.552
bonds (distance) P-C4' energy: -66.637
flat angles C4'-P-C4' energy: -69.851
flat angles P-C4'-P energy: -42.511
tors. eta vs tors. theta energy: -54.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 391
Temperature: 1.150000
Total energy: -447.043195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -447.043195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -447.043195 (E_RNA)
where:
Base-Base interactions energy: -223.594
where: short stacking energy: -104.292
Base-Backbone interact. energy: 2.666
local terms energy: -226.115718
where:
bonds (distance) C4'-P energy: -68.664
bonds (distance) P-C4' energy: -69.933
flat angles C4'-P-C4' energy: -53.206
flat angles P-C4'-P energy: -39.552
tors. eta vs tors. theta energy: 5.239
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 391
Temperature: 1.200000
Total energy: -346.582270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.582270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.582270 (E_RNA)
where:
Base-Base interactions energy: -121.432
where: short stacking energy: -88.668
Base-Backbone interact. energy: -1.163
local terms energy: -223.987390
where:
bonds (distance) C4'-P energy: -65.946
bonds (distance) P-C4' energy: -61.085
flat angles C4'-P-C4' energy: -51.749
flat angles P-C4'-P energy: -44.819
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: 8, replica: 9
=====================================
Write number: 391
Temperature: 1.250000
Total energy: -315.983929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.983929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.983929 (E_RNA)
where:
Base-Base interactions energy: -111.022
where: short stacking energy: -86.991
Base-Backbone interact. energy: 2.823
local terms energy: -207.785253
where:
bonds (distance) C4'-P energy: -56.166
bonds (distance) P-C4' energy: -54.284
flat angles C4'-P-C4' energy: -56.148
flat angles P-C4'-P energy: -34.507
tors. eta vs tors. theta energy: -6.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 391
Temperature: 1.300000
Total energy: -304.134388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.134388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.134388 (E_RNA)
where:
Base-Base interactions energy: -106.599
where: short stacking energy: -77.119
Base-Backbone interact. energy: -0.333
local terms energy: -197.202585
where:
bonds (distance) C4'-P energy: -57.245
bonds (distance) P-C4' energy: -73.951
flat angles C4'-P-C4' energy: -42.121
flat angles P-C4'-P energy: -28.437
tors. eta vs tors. theta energy: 4.552
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 391
Temperature: 1.350000
Total energy: -288.386577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.386577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.386577 (E_RNA)
where:
Base-Base interactions energy: -109.886
where: short stacking energy: -87.619
Base-Backbone interact. energy: -0.948
local terms energy: -177.552404
where:
bonds (distance) C4'-P energy: -47.460
bonds (distance) P-C4' energy: -47.539
flat angles C4'-P-C4' energy: -55.181
flat angles P-C4'-P energy: -23.911
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: 1, replica: 4
=====================================
Write number: 392
Temperature: 0.900000
Total energy: -1109.081716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1109.081716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1109.081716 (E_RNA)
where:
Base-Base interactions energy: -732.840
where: short stacking energy: -343.175
Base-Backbone interact. energy: 0.957
local terms energy: -377.198749
where:
bonds (distance) C4'-P energy: -71.905
bonds (distance) P-C4' energy: -74.000
flat angles C4'-P-C4' energy: -75.936
flat angles P-C4'-P energy: -42.897
tors. eta vs tors. theta energy: -112.461
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: 2, replica: 1
=====================================
Write number: 392
Temperature: 0.950000
Total energy: -995.826533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -995.826533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -995.826533 (E_RNA)
where:
Base-Base interactions energy: -651.002
where: short stacking energy: -303.204
Base-Backbone interact. energy: -0.744
local terms energy: -344.080367
where:
bonds (distance) C4'-P energy: -64.892
bonds (distance) P-C4' energy: -60.778
flat angles C4'-P-C4' energy: -75.845
flat angles P-C4'-P energy: -48.017
tors. eta vs tors. theta energy: -94.548
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: 3, replica: 5
=====================================
Write number: 392
Temperature: 1.000000
Total energy: -991.702387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -991.702387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -991.702387 (E_RNA)
where:
Base-Base interactions energy: -634.716
where: short stacking energy: -313.563
Base-Backbone interact. energy: -1.072
local terms energy: -355.914875
where:
bonds (distance) C4'-P energy: -75.179
bonds (distance) P-C4' energy: -66.458
flat angles C4'-P-C4' energy: -74.104
flat angles P-C4'-P energy: -42.125
tors. eta vs tors. theta energy: -98.049
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 392
Temperature: 1.050000
Total energy: -834.979987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -834.979987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -834.979987 (E_RNA)
where:
Base-Base interactions energy: -506.069
where: short stacking energy: -227.599
Base-Backbone interact. energy: -0.331
local terms energy: -328.579128
where:
bonds (distance) C4'-P energy: -71.771
bonds (distance) P-C4' energy: -77.519
flat angles C4'-P-C4' energy: -68.566
flat angles P-C4'-P energy: -52.118
tors. eta vs tors. theta energy: -58.605
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: 6
=====================================
Write number: 392
Temperature: 1.100000
Total energy: -759.333686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -759.333686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -759.333686 (E_RNA)
where:
Base-Base interactions energy: -452.447
where: short stacking energy: -235.342
Base-Backbone interact. energy: -1.496
local terms energy: -305.390379
where:
bonds (distance) C4'-P energy: -62.340
bonds (distance) P-C4' energy: -70.507
flat angles C4'-P-C4' energy: -70.576
flat angles P-C4'-P energy: -42.317
tors. eta vs tors. theta energy: -59.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 392
Temperature: 1.150000
Total energy: -459.895312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -459.895312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -459.895312 (E_RNA)
where:
Base-Base interactions energy: -231.615
where: short stacking energy: -126.288
Base-Backbone interact. energy: -1.313
local terms energy: -226.966789
where:
bonds (distance) C4'-P energy: -66.906
bonds (distance) P-C4' energy: -54.176
flat angles C4'-P-C4' energy: -62.505
flat angles P-C4'-P energy: -38.846
tors. eta vs tors. theta energy: -4.535
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 392
Temperature: 1.200000
Total energy: -332.318263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.318263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.318263 (E_RNA)
where:
Base-Base interactions energy: -124.416
where: short stacking energy: -94.794
Base-Backbone interact. energy: 0.136
local terms energy: -208.038613
where:
bonds (distance) C4'-P energy: -48.449
bonds (distance) P-C4' energy: -68.427
flat angles C4'-P-C4' energy: -51.004
flat angles P-C4'-P energy: -39.655
tors. eta vs tors. theta energy: -0.504
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 392
Temperature: 1.250000
Total energy: -310.063648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.063648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.063648 (E_RNA)
where:
Base-Base interactions energy: -114.404
where: short stacking energy: -78.151
Base-Backbone interact. energy: -0.516
local terms energy: -195.143776
where:
bonds (distance) C4'-P energy: -56.683
bonds (distance) P-C4' energy: -64.130
flat angles C4'-P-C4' energy: -56.930
flat angles P-C4'-P energy: -36.648
tors. eta vs tors. theta energy: 19.248
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 392
Temperature: 1.300000
Total energy: -284.299170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.299170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.299170 (E_RNA)
where:
Base-Base interactions energy: -98.698
where: short stacking energy: -70.547
Base-Backbone interact. energy: -0.914
local terms energy: -184.686484
where:
bonds (distance) C4'-P energy: -55.281
bonds (distance) P-C4' energy: -62.896
flat angles C4'-P-C4' energy: -57.354
flat angles P-C4'-P energy: -23.268
tors. eta vs tors. theta energy: 14.112
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: 392
Temperature: 1.350000
Total energy: -270.528964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.528964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.528964 (E_RNA)
where:
Base-Base interactions energy: -93.479
where: short stacking energy: -81.864
Base-Backbone interact. energy: -1.667
local terms energy: -175.382621
where:
bonds (distance) C4'-P energy: -56.428
bonds (distance) P-C4' energy: -59.526
flat angles C4'-P-C4' energy: -43.999
flat angles P-C4'-P energy: -25.510
tors. eta vs tors. theta energy: 10.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 393
Temperature: 0.900000
Total energy: -1078.371404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1078.371404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1078.371404 (E_RNA)
where:
Base-Base interactions energy: -711.204
where: short stacking energy: -322.682
Base-Backbone interact. energy: 1.093
local terms energy: -368.260192
where:
bonds (distance) C4'-P energy: -72.857
bonds (distance) P-C4' energy: -74.487
flat angles C4'-P-C4' energy: -70.821
flat angles P-C4'-P energy: -42.939
tors. eta vs tors. theta energy: -107.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 393
Temperature: 0.950000
Total energy: -966.331178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -966.331178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -966.331178 (E_RNA)
where:
Base-Base interactions energy: -629.761
where: short stacking energy: -289.546
Base-Backbone interact. energy: -1.281
local terms energy: -335.288686
where:
bonds (distance) C4'-P energy: -62.544
bonds (distance) P-C4' energy: -65.590
flat angles C4'-P-C4' energy: -67.430
flat angles P-C4'-P energy: -47.067
tors. eta vs tors. theta energy: -92.658
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 393
Temperature: 1.000000
Total energy: -961.236204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -961.236204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -961.236204 (E_RNA)
where:
Base-Base interactions energy: -617.971
where: short stacking energy: -311.688
Base-Backbone interact. energy: 1.034
local terms energy: -344.298586
where:
bonds (distance) C4'-P energy: -64.061
bonds (distance) P-C4' energy: -69.216
flat angles C4'-P-C4' energy: -67.261
flat angles P-C4'-P energy: -45.554
tors. eta vs tors. theta energy: -98.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 393
Temperature: 1.050000
Total energy: -821.568520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -821.568520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -821.568520 (E_RNA)
where:
Base-Base interactions energy: -499.001
where: short stacking energy: -226.351
Base-Backbone interact. energy: -1.262
local terms energy: -321.305294
where:
bonds (distance) C4'-P energy: -64.846
bonds (distance) P-C4' energy: -58.288
flat angles C4'-P-C4' energy: -70.294
flat angles P-C4'-P energy: -56.673
tors. eta vs tors. theta energy: -71.205
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: 5, replica: 6
=====================================
Write number: 393
Temperature: 1.100000
Total energy: -673.517996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -673.517996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -673.517996 (E_RNA)
where:
Base-Base interactions energy: -394.855
where: short stacking energy: -166.755
Base-Backbone interact. energy: 0.690
local terms energy: -279.352611
where:
bonds (distance) C4'-P energy: -55.562
bonds (distance) P-C4' energy: -77.598
flat angles C4'-P-C4' energy: -56.928
flat angles P-C4'-P energy: -44.317
tors. eta vs tors. theta energy: -44.948
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: 6, replica: 7
=====================================
Write number: 393
Temperature: 1.150000
Total energy: -450.630008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -450.630008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -450.630008 (E_RNA)
where:
Base-Base interactions energy: -213.282
where: short stacking energy: -136.562
Base-Backbone interact. energy: -1.795
local terms energy: -235.553536
where:
bonds (distance) C4'-P energy: -63.892
bonds (distance) P-C4' energy: -63.770
flat angles C4'-P-C4' energy: -61.230
flat angles P-C4'-P energy: -31.037
tors. eta vs tors. theta energy: -15.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 393
Temperature: 1.200000
Total energy: -354.269219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.269219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.269219 (E_RNA)
where:
Base-Base interactions energy: -148.980
where: short stacking energy: -96.387
Base-Backbone interact. energy: -0.779
local terms energy: -204.510225
where:
bonds (distance) C4'-P energy: -62.639
bonds (distance) P-C4' energy: -55.954
flat angles C4'-P-C4' energy: -62.936
flat angles P-C4'-P energy: -26.027
tors. eta vs tors. theta energy: 3.046
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: 8, replica: 2
=====================================
Write number: 393
Temperature: 1.250000
Total energy: -321.825705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.825705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.825705 (E_RNA)
where:
Base-Base interactions energy: -124.963
where: short stacking energy: -81.398
Base-Backbone interact. energy: -1.169
local terms energy: -195.694412
where:
bonds (distance) C4'-P energy: -61.893
bonds (distance) P-C4' energy: -56.904
flat angles C4'-P-C4' energy: -60.257
flat angles P-C4'-P energy: -23.449
tors. eta vs tors. theta energy: 6.808
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: 8
=====================================
Write number: 393
Temperature: 1.300000
Total energy: -296.048825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.048825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.048825 (E_RNA)
where:
Base-Base interactions energy: -97.610
where: short stacking energy: -73.032
Base-Backbone interact. energy: 1.103
local terms energy: -199.541515
where:
bonds (distance) C4'-P energy: -58.772
bonds (distance) P-C4' energy: -66.568
flat angles C4'-P-C4' energy: -47.127
flat angles P-C4'-P energy: -35.585
tors. eta vs tors. theta energy: 8.511
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 393
Temperature: 1.350000
Total energy: -293.188433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.188433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.188433 (E_RNA)
where:
Base-Base interactions energy: -94.782
where: short stacking energy: -60.344
Base-Backbone interact. energy: 3.813
local terms energy: -202.219331
where:
bonds (distance) C4'-P energy: -60.481
bonds (distance) P-C4' energy: -63.969
flat angles C4'-P-C4' energy: -57.312
flat angles P-C4'-P energy: -38.652
tors. eta vs tors. theta energy: 18.194
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 394
Temperature: 0.900000
Total energy: -1087.530014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1087.530014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1087.530014 (E_RNA)
where:
Base-Base interactions energy: -723.858
where: short stacking energy: -334.301
Base-Backbone interact. energy: -0.458
local terms energy: -363.214739
where:
bonds (distance) C4'-P energy: -71.163
bonds (distance) P-C4' energy: -61.676
flat angles C4'-P-C4' energy: -71.999
flat angles P-C4'-P energy: -51.917
tors. eta vs tors. theta energy: -106.460
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: 394
Temperature: 0.950000
Total energy: -980.825910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -980.825910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -980.825910 (E_RNA)
where:
Base-Base interactions energy: -615.600
where: short stacking energy: -305.500
Base-Backbone interact. energy: -0.782
local terms energy: -364.444134
where:
bonds (distance) C4'-P energy: -69.475
bonds (distance) P-C4' energy: -67.329
flat angles C4'-P-C4' energy: -76.610
flat angles P-C4'-P energy: -53.753
tors. eta vs tors. theta energy: -97.277
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: 5
=====================================
Write number: 394
Temperature: 1.000000
Total energy: -906.878786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -906.878786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -906.878786 (E_RNA)
where:
Base-Base interactions energy: -580.107
where: short stacking energy: -273.428
Base-Backbone interact. energy: 1.504
local terms energy: -328.275738
where:
bonds (distance) C4'-P energy: -67.003
bonds (distance) P-C4' energy: -59.923
flat angles C4'-P-C4' energy: -70.691
flat angles P-C4'-P energy: -39.602
tors. eta vs tors. theta energy: -91.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 394
Temperature: 1.050000
Total energy: -837.247493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -837.247493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -837.247493 (E_RNA)
where:
Base-Base interactions energy: -533.876
where: short stacking energy: -242.876
Base-Backbone interact. energy: 1.005
local terms energy: -304.376430
where:
bonds (distance) C4'-P energy: -58.564
bonds (distance) P-C4' energy: -68.453
flat angles C4'-P-C4' energy: -72.994
flat angles P-C4'-P energy: -36.307
tors. eta vs tors. theta energy: -68.058
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: 6
=====================================
Write number: 394
Temperature: 1.100000
Total energy: -679.532086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -679.532086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -679.532086 (E_RNA)
where:
Base-Base interactions energy: -393.310
where: short stacking energy: -175.915
Base-Backbone interact. energy: -1.263
local terms energy: -284.959049
where:
bonds (distance) C4'-P energy: -58.736
bonds (distance) P-C4' energy: -67.778
flat angles C4'-P-C4' energy: -61.581
flat angles P-C4'-P energy: -53.533
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: 7
=====================================
Write number: 394
Temperature: 1.150000
Total energy: -411.611900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.611900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.611900 (E_RNA)
where:
Base-Base interactions energy: -191.177
where: short stacking energy: -108.660
Base-Backbone interact. energy: -1.305
local terms energy: -219.130200
where:
bonds (distance) C4'-P energy: -61.057
bonds (distance) P-C4' energy: -65.960
flat angles C4'-P-C4' energy: -54.734
flat angles P-C4'-P energy: -33.871
tors. eta vs tors. theta energy: -3.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 394
Temperature: 1.200000
Total energy: -365.354049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.354049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.354049 (E_RNA)
where:
Base-Base interactions energy: -140.137
where: short stacking energy: -106.335
Base-Backbone interact. energy: 4.152
local terms energy: -229.368111
where:
bonds (distance) C4'-P energy: -52.772
bonds (distance) P-C4' energy: -66.556
flat angles C4'-P-C4' energy: -55.562
flat angles P-C4'-P energy: -50.243
tors. eta vs tors. theta energy: -4.236
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: 9
=====================================
Write number: 394
Temperature: 1.250000
Total energy: -321.414568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.414568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.414568 (E_RNA)
where:
Base-Base interactions energy: -133.974
where: short stacking energy: -90.726
Base-Backbone interact. energy: -1.886
local terms energy: -185.554545
where:
bonds (distance) C4'-P energy: -56.948
bonds (distance) P-C4' energy: -59.970
flat angles C4'-P-C4' energy: -38.868
flat angles P-C4'-P energy: -32.384
tors. eta vs tors. theta energy: 2.616
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 394
Temperature: 1.300000
Total energy: -301.580439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.580439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.580439 (E_RNA)
where:
Base-Base interactions energy: -112.800
where: short stacking energy: -81.449
Base-Backbone interact. energy: 1.194
local terms energy: -189.975061
where:
bonds (distance) C4'-P energy: -53.215
bonds (distance) P-C4' energy: -70.049
flat angles C4'-P-C4' energy: -37.151
flat angles P-C4'-P energy: -23.985
tors. eta vs tors. theta energy: -5.575
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 394
Temperature: 1.350000
Total energy: -297.922695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.922695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.922695 (E_RNA)
where:
Base-Base interactions energy: -105.745
where: short stacking energy: -94.497
Base-Backbone interact. energy: 1.190
local terms energy: -193.367863
where:
bonds (distance) C4'-P energy: -48.452
bonds (distance) P-C4' energy: -56.278
flat angles C4'-P-C4' energy: -50.661
flat angles P-C4'-P energy: -31.698
tors. eta vs tors. theta energy: -6.278
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 395
Temperature: 0.900000
Total energy: -1075.338275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1075.338275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1075.338275 (E_RNA)
where:
Base-Base interactions energy: -698.499
where: short stacking energy: -325.465
Base-Backbone interact. energy: -1.040
local terms energy: -375.799648
where:
bonds (distance) C4'-P energy: -68.856
bonds (distance) P-C4' energy: -66.225
flat angles C4'-P-C4' energy: -74.116
flat angles P-C4'-P energy: -51.848
tors. eta vs tors. theta energy: -114.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 395
Temperature: 0.950000
Total energy: -983.837443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -983.837443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -983.837443 (E_RNA)
where:
Base-Base interactions energy: -629.325
where: short stacking energy: -283.421
Base-Backbone interact. energy: -2.500
local terms energy: -352.012947
where:
bonds (distance) C4'-P energy: -70.441
bonds (distance) P-C4' energy: -67.157
flat angles C4'-P-C4' energy: -85.834
flat angles P-C4'-P energy: -47.085
tors. eta vs tors. theta energy: -81.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 395
Temperature: 1.000000
Total energy: -903.991106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -903.991106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -903.991106 (E_RNA)
where:
Base-Base interactions energy: -545.279
where: short stacking energy: -280.514
Base-Backbone interact. energy: 0.185
local terms energy: -358.897826
where:
bonds (distance) C4'-P energy: -70.259
bonds (distance) P-C4' energy: -69.800
flat angles C4'-P-C4' energy: -79.646
flat angles P-C4'-P energy: -48.714
tors. eta vs tors. theta energy: -90.480
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 395
Temperature: 1.050000
Total energy: -788.149282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -788.149282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -788.149282 (E_RNA)
where:
Base-Base interactions energy: -490.418
where: short stacking energy: -213.920
Base-Backbone interact. energy: -2.175
local terms energy: -295.556534
where:
bonds (distance) C4'-P energy: -63.040
bonds (distance) P-C4' energy: -65.404
flat angles C4'-P-C4' energy: -68.955
flat angles P-C4'-P energy: -37.975
tors. eta vs tors. theta energy: -60.183
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 395
Temperature: 1.100000
Total energy: -704.408195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -704.408195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -704.408195 (E_RNA)
where:
Base-Base interactions energy: -424.288
where: short stacking energy: -215.456
Base-Backbone interact. energy: 1.493
local terms energy: -281.613315
where:
bonds (distance) C4'-P energy: -61.205
bonds (distance) P-C4' energy: -65.376
flat angles C4'-P-C4' energy: -68.553
flat angles P-C4'-P energy: -32.599
tors. eta vs tors. theta energy: -53.880
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 395
Temperature: 1.150000
Total energy: -456.436734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -456.436734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -456.436734 (E_RNA)
where:
Base-Base interactions energy: -205.355
where: short stacking energy: -131.846
Base-Backbone interact. energy: 0.496
local terms energy: -251.578160
where:
bonds (distance) C4'-P energy: -59.411
bonds (distance) P-C4' energy: -65.462
flat angles C4'-P-C4' energy: -63.146
flat angles P-C4'-P energy: -50.777
tors. eta vs tors. theta energy: -12.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 395
Temperature: 1.200000
Total energy: -353.706037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.706037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.706037 (E_RNA)
where:
Base-Base interactions energy: -140.238
where: short stacking energy: -75.216
Base-Backbone interact. energy: 0.171
local terms energy: -213.638999
where:
bonds (distance) C4'-P energy: -64.112
bonds (distance) P-C4' energy: -65.356
flat angles C4'-P-C4' energy: -53.131
flat angles P-C4'-P energy: -32.816
tors. eta vs tors. theta energy: 1.777
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 395
Temperature: 1.250000
Total energy: -315.598772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.598772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.598772 (E_RNA)
where:
Base-Base interactions energy: -101.770
where: short stacking energy: -77.467
Base-Backbone interact. energy: 0.060
local terms energy: -213.888901
where:
bonds (distance) C4'-P energy: -61.735
bonds (distance) P-C4' energy: -61.263
flat angles C4'-P-C4' energy: -61.946
flat angles P-C4'-P energy: -41.938
tors. eta vs tors. theta energy: 12.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 395
Temperature: 1.300000
Total energy: -300.231524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.231524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.231524 (E_RNA)
where:
Base-Base interactions energy: -112.029
where: short stacking energy: -68.201
Base-Backbone interact. energy: -0.547
local terms energy: -187.655521
where:
bonds (distance) C4'-P energy: -68.553
bonds (distance) P-C4' energy: -57.468
flat angles C4'-P-C4' energy: -43.380
flat angles P-C4'-P energy: -30.730
tors. eta vs tors. theta energy: 12.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 395
Temperature: 1.350000
Total energy: -267.875908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.875908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.875908 (E_RNA)
where:
Base-Base interactions energy: -111.144
where: short stacking energy: -66.238
Base-Backbone interact. energy: -0.846
local terms energy: -155.885898
where:
bonds (distance) C4'-P energy: -53.065
bonds (distance) P-C4' energy: -62.671
flat angles C4'-P-C4' energy: -31.089
flat angles P-C4'-P energy: -23.196
tors. eta vs tors. theta energy: 14.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 396
Temperature: 0.900000
Total energy: -1087.978163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1087.978163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1087.978163 (E_RNA)
where:
Base-Base interactions energy: -707.124
where: short stacking energy: -311.594
Base-Backbone interact. energy: -1.296
local terms energy: -379.558166
where:
bonds (distance) C4'-P energy: -76.608
bonds (distance) P-C4' energy: -63.665
flat angles C4'-P-C4' energy: -75.849
flat angles P-C4'-P energy: -53.360
tors. eta vs tors. theta energy: -110.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 396
Temperature: 0.950000
Total energy: -996.099219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -996.099219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -996.099219 (E_RNA)
where:
Base-Base interactions energy: -663.962
where: short stacking energy: -319.323
Base-Backbone interact. energy: -1.995
local terms energy: -330.142223
where:
bonds (distance) C4'-P energy: -64.070
bonds (distance) P-C4' energy: -53.428
flat angles C4'-P-C4' energy: -82.662
flat angles P-C4'-P energy: -38.648
tors. eta vs tors. theta energy: -91.334
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: 5
=====================================
Write number: 396
Temperature: 1.000000
Total energy: -920.852337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -920.852337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -920.852337 (E_RNA)
where:
Base-Base interactions energy: -593.739
where: short stacking energy: -283.506
Base-Backbone interact. energy: -1.098
local terms energy: -326.015129
where:
bonds (distance) C4'-P energy: -59.088
bonds (distance) P-C4' energy: -68.897
flat angles C4'-P-C4' energy: -66.311
flat angles P-C4'-P energy: -42.847
tors. eta vs tors. theta energy: -88.872
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: 3
=====================================
Write number: 396
Temperature: 1.050000
Total energy: -809.508737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -809.508737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -809.508737 (E_RNA)
where:
Base-Base interactions energy: -483.936
where: short stacking energy: -240.882
Base-Backbone interact. energy: -1.943
local terms energy: -323.628916
where:
bonds (distance) C4'-P energy: -61.392
bonds (distance) P-C4' energy: -72.440
flat angles C4'-P-C4' energy: -69.009
flat angles P-C4'-P energy: -47.469
tors. eta vs tors. theta energy: -73.319
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: 6
=====================================
Write number: 396
Temperature: 1.100000
Total energy: -716.780771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -716.780771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -716.780771 (E_RNA)
where:
Base-Base interactions energy: -411.100
where: short stacking energy: -201.608
Base-Backbone interact. energy: -1.268
local terms energy: -304.412500
where:
bonds (distance) C4'-P energy: -67.672
bonds (distance) P-C4' energy: -65.696
flat angles C4'-P-C4' energy: -75.435
flat angles P-C4'-P energy: -49.460
tors. eta vs tors. theta energy: -46.149
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: 6, replica: 7
=====================================
Write number: 396
Temperature: 1.150000
Total energy: -464.937384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -464.937384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -464.937384 (E_RNA)
where:
Base-Base interactions energy: -225.504
where: short stacking energy: -141.601
Base-Backbone interact. energy: 2.070
local terms energy: -241.503062
where:
bonds (distance) C4'-P energy: -69.679
bonds (distance) P-C4' energy: -61.353
flat angles C4'-P-C4' energy: -52.515
flat angles P-C4'-P energy: -31.883
tors. eta vs tors. theta energy: -26.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 396
Temperature: 1.200000
Total energy: -382.475493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -382.475493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -382.475493 (E_RNA)
where:
Base-Base interactions energy: -158.191
where: short stacking energy: -109.444
Base-Backbone interact. energy: -1.351
local terms energy: -222.933272
where:
bonds (distance) C4'-P energy: -57.006
bonds (distance) P-C4' energy: -74.301
flat angles C4'-P-C4' energy: -60.596
flat angles P-C4'-P energy: -25.510
tors. eta vs tors. theta energy: -5.521
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 396
Temperature: 1.250000
Total energy: -313.759798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.759798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.759798 (E_RNA)
where:
Base-Base interactions energy: -107.994
where: short stacking energy: -75.281
Base-Backbone interact. energy: -1.173
local terms energy: -204.593283
where:
bonds (distance) C4'-P energy: -56.368
bonds (distance) P-C4' energy: -66.492
flat angles C4'-P-C4' energy: -56.143
flat angles P-C4'-P energy: -32.906
tors. eta vs tors. theta energy: 7.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 396
Temperature: 1.300000
Total energy: -291.292659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.292659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.292659 (E_RNA)
where:
Base-Base interactions energy: -109.565
where: short stacking energy: -70.043
Base-Backbone interact. energy: 1.676
local terms energy: -183.403340
where:
bonds (distance) C4'-P energy: -58.383
bonds (distance) P-C4' energy: -60.658
flat angles C4'-P-C4' energy: -32.797
flat angles P-C4'-P energy: -39.247
tors. eta vs tors. theta energy: 7.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 396
Temperature: 1.350000
Total energy: -292.650056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.650056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.650056 (E_RNA)
where:
Base-Base interactions energy: -92.556
where: short stacking energy: -72.083
Base-Backbone interact. energy: 1.132
local terms energy: -201.225839
where:
bonds (distance) C4'-P energy: -52.297
bonds (distance) P-C4' energy: -76.954
flat angles C4'-P-C4' energy: -40.097
flat angles P-C4'-P energy: -36.546
tors. eta vs tors. theta energy: 4.668
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 397
Temperature: 0.900000
Total energy: -1078.249869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1078.249869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1078.249869 (E_RNA)
where:
Base-Base interactions energy: -702.665
where: short stacking energy: -317.356
Base-Backbone interact. energy: -0.335
local terms energy: -375.249985
where:
bonds (distance) C4'-P energy: -74.079
bonds (distance) P-C4' energy: -62.891
flat angles C4'-P-C4' energy: -75.765
flat angles P-C4'-P energy: -55.704
tors. eta vs tors. theta energy: -106.811
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 397
Temperature: 0.950000
Total energy: -972.265490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -972.265490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -972.265490 (E_RNA)
where:
Base-Base interactions energy: -622.847
where: short stacking energy: -289.775
Base-Backbone interact. energy: 0.478
local terms energy: -349.896251
where:
bonds (distance) C4'-P energy: -69.283
bonds (distance) P-C4' energy: -68.551
flat angles C4'-P-C4' energy: -75.428
flat angles P-C4'-P energy: -42.771
tors. eta vs tors. theta energy: -93.863
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: 5
=====================================
Write number: 397
Temperature: 1.000000
Total energy: -918.818474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -918.818474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -918.818474 (E_RNA)
where:
Base-Base interactions energy: -589.077
where: short stacking energy: -283.863
Base-Backbone interact. energy: -0.957
local terms energy: -328.784276
where:
bonds (distance) C4'-P energy: -66.620
bonds (distance) P-C4' energy: -68.801
flat angles C4'-P-C4' energy: -64.137
flat angles P-C4'-P energy: -41.844
tors. eta vs tors. theta energy: -87.383
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 397
Temperature: 1.050000
Total energy: -865.003477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -865.003477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -865.003477 (E_RNA)
where:
Base-Base interactions energy: -553.907
where: short stacking energy: -260.635
Base-Backbone interact. energy: -0.696
local terms energy: -310.400445
where:
bonds (distance) C4'-P energy: -52.914
bonds (distance) P-C4' energy: -70.920
flat angles C4'-P-C4' energy: -69.442
flat angles P-C4'-P energy: -42.769
tors. eta vs tors. theta energy: -74.356
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 397
Temperature: 1.100000
Total energy: -692.805444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -692.805444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -692.805444 (E_RNA)
where:
Base-Base interactions energy: -409.065
where: short stacking energy: -214.690
Base-Backbone interact. energy: -0.619
local terms energy: -283.120754
where:
bonds (distance) C4'-P energy: -63.398
bonds (distance) P-C4' energy: -69.363
flat angles C4'-P-C4' energy: -53.868
flat angles P-C4'-P energy: -45.253
tors. eta vs tors. theta energy: -51.238
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 397
Temperature: 1.150000
Total energy: -515.316524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.316524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.316524 (E_RNA)
where:
Base-Base interactions energy: -279.029
where: short stacking energy: -147.183
Base-Backbone interact. energy: -2.344
local terms energy: -233.943577
where:
bonds (distance) C4'-P energy: -50.463
bonds (distance) P-C4' energy: -65.915
flat angles C4'-P-C4' energy: -66.612
flat angles P-C4'-P energy: -33.169
tors. eta vs tors. theta energy: -17.785
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 397
Temperature: 1.200000
Total energy: -357.251389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.251389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.251389 (E_RNA)
where:
Base-Base interactions energy: -149.107
where: short stacking energy: -91.027
Base-Backbone interact. energy: -0.972
local terms energy: -207.172784
where:
bonds (distance) C4'-P energy: -58.583
bonds (distance) P-C4' energy: -58.202
flat angles C4'-P-C4' energy: -54.140
flat angles P-C4'-P energy: -39.578
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: 8, replica: 8
=====================================
Write number: 397
Temperature: 1.250000
Total energy: -315.410185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.410185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.410185 (E_RNA)
where:
Base-Base interactions energy: -116.097
where: short stacking energy: -106.445
Base-Backbone interact. energy: -1.723
local terms energy: -197.590297
where:
bonds (distance) C4'-P energy: -62.667
bonds (distance) P-C4' energy: -64.937
flat angles C4'-P-C4' energy: -55.051
flat angles P-C4'-P energy: -12.084
tors. eta vs tors. theta energy: -2.851
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 397
Temperature: 1.300000
Total energy: -288.759296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.759296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.759296 (E_RNA)
where:
Base-Base interactions energy: -96.095
where: short stacking energy: -73.413
Base-Backbone interact. energy: -2.490
local terms energy: -190.174167
where:
bonds (distance) C4'-P energy: -57.193
bonds (distance) P-C4' energy: -58.746
flat angles C4'-P-C4' energy: -58.846
flat angles P-C4'-P energy: -29.065
tors. eta vs tors. theta energy: 13.676
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: 10, replica: 9
=====================================
Write number: 397
Temperature: 1.350000
Total energy: -287.360638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.360638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.360638 (E_RNA)
where:
Base-Base interactions energy: -88.076
where: short stacking energy: -64.419
Base-Backbone interact. energy: -1.052
local terms energy: -198.232261
where:
bonds (distance) C4'-P energy: -65.613
bonds (distance) P-C4' energy: -53.126
flat angles C4'-P-C4' energy: -56.023
flat angles P-C4'-P energy: -31.250
tors. eta vs tors. theta energy: 7.780
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 398
Temperature: 0.900000
Total energy: -1076.161306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1076.161306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1076.161306 (E_RNA)
where:
Base-Base interactions energy: -692.416
where: short stacking energy: -305.111
Base-Backbone interact. energy: -0.650
local terms energy: -383.095122
where:
bonds (distance) C4'-P energy: -71.545
bonds (distance) P-C4' energy: -72.174
flat angles C4'-P-C4' energy: -81.167
flat angles P-C4'-P energy: -52.727
tors. eta vs tors. theta energy: -105.483
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: 1
=====================================
Write number: 398
Temperature: 0.950000
Total energy: -984.249387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -984.249387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -984.249387 (E_RNA)
where:
Base-Base interactions energy: -621.131
where: short stacking energy: -292.997
Base-Backbone interact. energy: -2.372
local terms energy: -360.747311
where:
bonds (distance) C4'-P energy: -77.400
bonds (distance) P-C4' energy: -62.034
flat angles C4'-P-C4' energy: -73.135
flat angles P-C4'-P energy: -50.921
tors. eta vs tors. theta energy: -97.256
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 398
Temperature: 1.000000
Total energy: -879.977692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -879.977692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -879.977692 (E_RNA)
where:
Base-Base interactions energy: -548.815
where: short stacking energy: -253.166
Base-Backbone interact. energy: 0.497
local terms energy: -331.660244
where:
bonds (distance) C4'-P energy: -58.091
bonds (distance) P-C4' energy: -58.966
flat angles C4'-P-C4' energy: -70.685
flat angles P-C4'-P energy: -60.395
tors. eta vs tors. theta energy: -83.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 398
Temperature: 1.050000
Total energy: -836.973687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -836.973687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -836.973687 (E_RNA)
where:
Base-Base interactions energy: -515.705
where: short stacking energy: -247.644
Base-Backbone interact. energy: -0.063
local terms energy: -321.205733
where:
bonds (distance) C4'-P energy: -62.040
bonds (distance) P-C4' energy: -64.754
flat angles C4'-P-C4' energy: -65.458
flat angles P-C4'-P energy: -50.432
tors. eta vs tors. theta energy: -78.521
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 398
Temperature: 1.100000
Total energy: -683.678075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -683.678075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -683.678075 (E_RNA)
where:
Base-Base interactions energy: -388.023
where: short stacking energy: -203.898
Base-Backbone interact. energy: -1.665
local terms energy: -293.990066
where:
bonds (distance) C4'-P energy: -72.012
bonds (distance) P-C4' energy: -54.888
flat angles C4'-P-C4' energy: -69.515
flat angles P-C4'-P energy: -42.259
tors. eta vs tors. theta energy: -55.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 398
Temperature: 1.150000
Total energy: -518.046920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.046920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.046920 (E_RNA)
where:
Base-Base interactions energy: -287.450
where: short stacking energy: -148.242
Base-Backbone interact. energy: 0.420
local terms energy: -231.016834
where:
bonds (distance) C4'-P energy: -62.718
bonds (distance) P-C4' energy: -60.765
flat angles C4'-P-C4' energy: -55.724
flat angles P-C4'-P energy: -41.331
tors. eta vs tors. theta energy: -10.478
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: 2
=====================================
Write number: 398
Temperature: 1.200000
Total energy: -352.850163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.850163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.850163 (E_RNA)
where:
Base-Base interactions energy: -141.617
where: short stacking energy: -109.313
Base-Backbone interact. energy: 2.461
local terms energy: -213.694268
where:
bonds (distance) C4'-P energy: -54.675
bonds (distance) P-C4' energy: -59.334
flat angles C4'-P-C4' energy: -56.098
flat angles P-C4'-P energy: -36.345
tors. eta vs tors. theta energy: -7.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 398
Temperature: 1.250000
Total energy: -322.358477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.358477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.358477 (E_RNA)
where:
Base-Base interactions energy: -122.232
where: short stacking energy: -89.471
Base-Backbone interact. energy: 1.576
local terms energy: -201.702484
where:
bonds (distance) C4'-P energy: -58.715
bonds (distance) P-C4' energy: -58.210
flat angles C4'-P-C4' energy: -53.781
flat angles P-C4'-P energy: -29.957
tors. eta vs tors. theta energy: -1.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 398
Temperature: 1.300000
Total energy: -286.816210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.816210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.816210 (E_RNA)
where:
Base-Base interactions energy: -103.866
where: short stacking energy: -72.037
Base-Backbone interact. energy: -1.715
local terms energy: -181.235036
where:
bonds (distance) C4'-P energy: -55.678
bonds (distance) P-C4' energy: -58.430
flat angles C4'-P-C4' energy: -58.079
flat angles P-C4'-P energy: -26.544
tors. eta vs tors. theta energy: 17.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 398
Temperature: 1.350000
Total energy: -278.038474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.038474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.038474 (E_RNA)
where:
Base-Base interactions energy: -105.272
where: short stacking energy: -71.688
Base-Backbone interact. energy: -1.160
local terms energy: -171.606248
where:
bonds (distance) C4'-P energy: -48.197
bonds (distance) P-C4' energy: -62.556
flat angles C4'-P-C4' energy: -52.058
flat angles P-C4'-P energy: -24.230
tors. eta vs tors. theta energy: 15.435
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: 399
Temperature: 0.900000
Total energy: -1088.141624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1088.141624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1088.141624 (E_RNA)
where:
Base-Base interactions energy: -710.374
where: short stacking energy: -314.484
Base-Backbone interact. energy: -2.364
local terms energy: -375.403296
where:
bonds (distance) C4'-P energy: -69.289
bonds (distance) P-C4' energy: -69.533
flat angles C4'-P-C4' energy: -70.317
flat angles P-C4'-P energy: -53.404
tors. eta vs tors. theta energy: -112.860
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: 1
=====================================
Write number: 399
Temperature: 0.950000
Total energy: -1002.334615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1002.334615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1002.334615 (E_RNA)
where:
Base-Base interactions energy: -656.621
where: short stacking energy: -303.148
Base-Backbone interact. energy: -3.863
local terms energy: -341.850594
where:
bonds (distance) C4'-P energy: -73.408
bonds (distance) P-C4' energy: -56.831
flat angles C4'-P-C4' energy: -74.064
flat angles P-C4'-P energy: -42.656
tors. eta vs tors. theta energy: -94.892
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: 3
=====================================
Write number: 399
Temperature: 1.000000
Total energy: -886.654625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -886.654625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -886.654625 (E_RNA)
where:
Base-Base interactions energy: -567.429
where: short stacking energy: -276.341
Base-Backbone interact. energy: -0.837
local terms energy: -318.389282
where:
bonds (distance) C4'-P energy: -62.175
bonds (distance) P-C4' energy: -70.823
flat angles C4'-P-C4' energy: -66.594
flat angles P-C4'-P energy: -44.970
tors. eta vs tors. theta energy: -73.826
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: 5
=====================================
Write number: 399
Temperature: 1.050000
Total energy: -803.557135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -803.557135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -803.557135 (E_RNA)
where:
Base-Base interactions energy: -512.978
where: short stacking energy: -240.257
Base-Backbone interact. energy: 0.144
local terms energy: -290.723692
where:
bonds (distance) C4'-P energy: -51.324
bonds (distance) P-C4' energy: -74.297
flat angles C4'-P-C4' energy: -63.981
flat angles P-C4'-P energy: -27.483
tors. eta vs tors. theta energy: -73.639
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: 6
=====================================
Write number: 399
Temperature: 1.100000
Total energy: -706.134571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -706.134571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -706.134571 (E_RNA)
where:
Base-Base interactions energy: -442.429
where: short stacking energy: -216.643
Base-Backbone interact. energy: -1.591
local terms energy: -262.114312
where:
bonds (distance) C4'-P energy: -57.468
bonds (distance) P-C4' energy: -59.427
flat angles C4'-P-C4' energy: -59.490
flat angles P-C4'-P energy: -28.591
tors. eta vs tors. theta energy: -57.138
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 399
Temperature: 1.150000
Total energy: -535.555470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.555470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.555470 (E_RNA)
where:
Base-Base interactions energy: -282.802
where: short stacking energy: -144.848
Base-Backbone interact. energy: 1.081
local terms energy: -253.834827
where:
bonds (distance) C4'-P energy: -59.582
bonds (distance) P-C4' energy: -65.510
flat angles C4'-P-C4' energy: -68.686
flat angles P-C4'-P energy: -38.973
tors. eta vs tors. theta energy: -21.083
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: 2
=====================================
Write number: 399
Temperature: 1.200000
Total energy: -372.574770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -372.574770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -372.574770 (E_RNA)
where:
Base-Base interactions energy: -151.223
where: short stacking energy: -92.365
Base-Backbone interact. energy: -3.071
local terms energy: -218.280811
where:
bonds (distance) C4'-P energy: -58.749
bonds (distance) P-C4' energy: -50.712
flat angles C4'-P-C4' energy: -62.108
flat angles P-C4'-P energy: -37.692
tors. eta vs tors. theta energy: -9.020
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: 8, replica: 8
=====================================
Write number: 399
Temperature: 1.250000
Total energy: -323.545264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.545264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.545264 (E_RNA)
where:
Base-Base interactions energy: -133.229
where: short stacking energy: -104.762
Base-Backbone interact. energy: 1.969
local terms energy: -192.285479
where:
bonds (distance) C4'-P energy: -56.215
bonds (distance) P-C4' energy: -66.467
flat angles C4'-P-C4' energy: -50.598
flat angles P-C4'-P energy: -20.759
tors. eta vs tors. theta energy: 1.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 399
Temperature: 1.300000
Total energy: -309.073123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.073123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.073123 (E_RNA)
where:
Base-Base interactions energy: -114.352
where: short stacking energy: -86.179
Base-Backbone interact. energy: 2.561
local terms energy: -197.282203
where:
bonds (distance) C4'-P energy: -36.727
bonds (distance) P-C4' energy: -71.498
flat angles C4'-P-C4' energy: -49.893
flat angles P-C4'-P energy: -39.653
tors. eta vs tors. theta energy: 0.490
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 399
Temperature: 1.350000
Total energy: -300.976005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.976005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.976005 (E_RNA)
where:
Base-Base interactions energy: -132.566
where: short stacking energy: -69.562
Base-Backbone interact. energy: 0.009
local terms energy: -168.419123
where:
bonds (distance) C4'-P energy: -56.435
bonds (distance) P-C4' energy: -61.675
flat angles C4'-P-C4' energy: -25.338
flat angles P-C4'-P energy: -34.238
tors. eta vs tors. theta energy: 9.266
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: 4
=====================================
Write number: 400
Temperature: 0.900000
Total energy: -1079.649658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1079.649658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1079.649658 (E_RNA)
where:
Base-Base interactions energy: -707.726
where: short stacking energy: -333.436
Base-Backbone interact. energy: -0.194
local terms energy: -371.728850
where:
bonds (distance) C4'-P energy: -72.519
bonds (distance) P-C4' energy: -65.877
flat angles C4'-P-C4' energy: -76.591
flat angles P-C4'-P energy: -44.960
tors. eta vs tors. theta energy: -111.781
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: 400
Temperature: 0.950000
Total energy: -1001.220267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1001.220267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1001.220267 (E_RNA)
where:
Base-Base interactions energy: -636.210
where: short stacking energy: -315.199
Base-Backbone interact. energy: -1.948
local terms energy: -363.062306
where:
bonds (distance) C4'-P energy: -70.153
bonds (distance) P-C4' energy: -70.118
flat angles C4'-P-C4' energy: -73.156
flat angles P-C4'-P energy: -43.044
tors. eta vs tors. theta energy: -106.593
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 400
Temperature: 1.000000
Total energy: -904.198566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -904.198566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -904.198566 (E_RNA)
where:
Base-Base interactions energy: -562.108
where: short stacking energy: -259.629
Base-Backbone interact. energy: -1.260
local terms energy: -340.830299
where:
bonds (distance) C4'-P energy: -63.542
bonds (distance) P-C4' energy: -71.129
flat angles C4'-P-C4' energy: -71.815
flat angles P-C4'-P energy: -53.754
tors. eta vs tors. theta energy: -80.590
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: 400
Temperature: 1.050000
Total energy: -764.246169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -764.246169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -764.246169 (E_RNA)
where:
Base-Base interactions energy: -453.373
where: short stacking energy: -212.242
Base-Backbone interact. energy: -2.067
local terms energy: -308.806385
where:
bonds (distance) C4'-P energy: -66.730
bonds (distance) P-C4' energy: -69.577
flat angles C4'-P-C4' energy: -68.066
flat angles P-C4'-P energy: -43.939
tors. eta vs tors. theta energy: -60.495
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 400
Temperature: 1.100000
Total energy: -712.028406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -712.028406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -712.028406 (E_RNA)
where:
Base-Base interactions energy: -437.451
where: short stacking energy: -204.376
Base-Backbone interact. energy: -2.017
local terms energy: -272.559760
where:
bonds (distance) C4'-P energy: -57.187
bonds (distance) P-C4' energy: -51.202
flat angles C4'-P-C4' energy: -65.608
flat angles P-C4'-P energy: -47.540
tors. eta vs tors. theta energy: -51.023
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 400
Temperature: 1.150000
Total energy: -561.684406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -561.684406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -561.684406 (E_RNA)
where:
Base-Base interactions energy: -303.364
where: short stacking energy: -157.482
Base-Backbone interact. energy: -2.115
local terms energy: -256.206118
where:
bonds (distance) C4'-P energy: -52.680
bonds (distance) P-C4' energy: -67.758
flat angles C4'-P-C4' energy: -70.384
flat angles P-C4'-P energy: -34.699
tors. eta vs tors. theta energy: -30.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 400
Temperature: 1.200000
Total energy: -313.304522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.304522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.304522 (E_RNA)
where:
Base-Base interactions energy: -111.230
where: short stacking energy: -80.383
Base-Backbone interact. energy: -0.524
local terms energy: -201.550886
where:
bonds (distance) C4'-P energy: -51.518
bonds (distance) P-C4' energy: -70.882
flat angles C4'-P-C4' energy: -55.290
flat angles P-C4'-P energy: -35.892
tors. eta vs tors. theta energy: 12.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 400
Temperature: 1.250000
Total energy: -325.294955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.294955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.294955 (E_RNA)
where:
Base-Base interactions energy: -130.701
where: short stacking energy: -85.004
Base-Backbone interact. energy: -0.417
local terms energy: -194.176151
where:
bonds (distance) C4'-P energy: -47.382
bonds (distance) P-C4' energy: -68.428
flat angles C4'-P-C4' energy: -56.558
flat angles P-C4'-P energy: -22.969
tors. eta vs tors. theta energy: 1.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 400
Temperature: 1.300000
Total energy: -307.681123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.681123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.681123 (E_RNA)
where:
Base-Base interactions energy: -130.968
where: short stacking energy: -73.922
Base-Backbone interact. energy: -0.335
local terms energy: -176.377374
where:
bonds (distance) C4'-P energy: -53.377
bonds (distance) P-C4' energy: -55.024
flat angles C4'-P-C4' energy: -48.733
flat angles P-C4'-P energy: -31.049
tors. eta vs tors. theta energy: 11.805
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: 9
=====================================
Write number: 400
Temperature: 1.350000
Total energy: -280.116420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.116420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.116420 (E_RNA)
where:
Base-Base interactions energy: -104.410
where: short stacking energy: -79.311
Base-Backbone interact. energy: -0.930
local terms energy: -174.776128
where:
bonds (distance) C4'-P energy: -57.402
bonds (distance) P-C4' energy: -52.275
flat angles C4'-P-C4' energy: -53.052
flat angles P-C4'-P energy: -24.156
tors. eta vs tors. theta energy: 12.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 401
Temperature: 0.900000
Total energy: -1083.499177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1083.499177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1083.499177 (E_RNA)
where:
Base-Base interactions energy: -697.064
where: short stacking energy: -317.102
Base-Backbone interact. energy: -0.652
local terms energy: -385.783308
where:
bonds (distance) C4'-P energy: -74.544
bonds (distance) P-C4' energy: -64.744
flat angles C4'-P-C4' energy: -80.494
flat angles P-C4'-P energy: -56.782
tors. eta vs tors. theta energy: -109.220
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: 2, replica: 1
=====================================
Write number: 401
Temperature: 0.950000
Total energy: -999.546543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -999.546543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -999.546543 (E_RNA)
where:
Base-Base interactions energy: -623.546
where: short stacking energy: -288.279
Base-Backbone interact. energy: -0.461
local terms energy: -375.539719
where:
bonds (distance) C4'-P energy: -73.101
bonds (distance) P-C4' energy: -71.659
flat angles C4'-P-C4' energy: -80.301
flat angles P-C4'-P energy: -50.667
tors. eta vs tors. theta energy: -99.812
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: 3
=====================================
Write number: 401
Temperature: 1.000000
Total energy: -923.643175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -923.643175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -923.643175 (E_RNA)
where:
Base-Base interactions energy: -593.692
where: short stacking energy: -273.429
Base-Backbone interact. energy: 2.318
local terms energy: -332.269329
where:
bonds (distance) C4'-P energy: -69.666
bonds (distance) P-C4' energy: -68.231
flat angles C4'-P-C4' energy: -67.887
flat angles P-C4'-P energy: -44.282
tors. eta vs tors. theta energy: -82.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 401
Temperature: 1.050000
Total energy: -755.211289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -755.211289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -755.211289 (E_RNA)
where:
Base-Base interactions energy: -447.373
where: short stacking energy: -238.049
Base-Backbone interact. energy: -0.066
local terms energy: -307.772625
where:
bonds (distance) C4'-P energy: -63.564
bonds (distance) P-C4' energy: -71.757
flat angles C4'-P-C4' energy: -71.716
flat angles P-C4'-P energy: -33.811
tors. eta vs tors. theta energy: -66.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 401
Temperature: 1.100000
Total energy: -783.369397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -783.369397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -783.369397 (E_RNA)
where:
Base-Base interactions energy: -489.564
where: short stacking energy: -241.203
Base-Backbone interact. energy: 1.163
local terms energy: -294.968500
where:
bonds (distance) C4'-P energy: -63.145
bonds (distance) P-C4' energy: -59.907
flat angles C4'-P-C4' energy: -66.210
flat angles P-C4'-P energy: -40.131
tors. eta vs tors. theta energy: -65.575
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 401
Temperature: 1.150000
Total energy: -518.935595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.935595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.935595 (E_RNA)
where:
Base-Base interactions energy: -264.310
where: short stacking energy: -134.404
Base-Backbone interact. energy: -0.209
local terms energy: -254.417012
where:
bonds (distance) C4'-P energy: -55.682
bonds (distance) P-C4' energy: -63.598
flat angles C4'-P-C4' energy: -68.972
flat angles P-C4'-P energy: -43.519
tors. eta vs tors. theta energy: -22.646
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: 8
=====================================
Write number: 401
Temperature: 1.200000
Total energy: -340.290074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.290074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.290074 (E_RNA)
where:
Base-Base interactions energy: -123.345
where: short stacking energy: -85.655
Base-Backbone interact. energy: 0.654
local terms energy: -217.598687
where:
bonds (distance) C4'-P energy: -64.332
bonds (distance) P-C4' energy: -68.230
flat angles C4'-P-C4' energy: -62.550
flat angles P-C4'-P energy: -22.015
tors. eta vs tors. theta energy: -0.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 401
Temperature: 1.250000
Total energy: -306.221631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.221631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.221631 (E_RNA)
where:
Base-Base interactions energy: -98.195
where: short stacking energy: -88.680
Base-Backbone interact. energy: 2.468
local terms energy: -210.494930
where:
bonds (distance) C4'-P energy: -61.798
bonds (distance) P-C4' energy: -53.087
flat angles C4'-P-C4' energy: -58.860
flat angles P-C4'-P energy: -28.462
tors. eta vs tors. theta energy: -8.287
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: 2
=====================================
Write number: 401
Temperature: 1.300000
Total energy: -314.137252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.137252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.137252 (E_RNA)
where:
Base-Base interactions energy: -126.500
where: short stacking energy: -78.395
Base-Backbone interact. energy: 1.618
local terms energy: -189.255834
where:
bonds (distance) C4'-P energy: -64.165
bonds (distance) P-C4' energy: -60.706
flat angles C4'-P-C4' energy: -51.516
flat angles P-C4'-P energy: -26.387
tors. eta vs tors. theta energy: 13.518
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: 9
=====================================
Write number: 401
Temperature: 1.350000
Total energy: -260.809816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.809816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.809816 (E_RNA)
where:
Base-Base interactions energy: -73.374
where: short stacking energy: -51.644
Base-Backbone interact. energy: 10.016
local terms energy: -197.451400
where:
bonds (distance) C4'-P energy: -49.996
bonds (distance) P-C4' energy: -65.778
flat angles C4'-P-C4' energy: -53.863
flat angles P-C4'-P energy: -42.272
tors. eta vs tors. theta energy: 14.458
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: 4
=====================================
Write number: 402
Temperature: 0.900000
Total energy: -1076.149837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1076.149837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1076.149837 (E_RNA)
where:
Base-Base interactions energy: -701.678
where: short stacking energy: -318.904
Base-Backbone interact. energy: -0.610
local terms energy: -373.862076
where:
bonds (distance) C4'-P energy: -68.192
bonds (distance) P-C4' energy: -64.756
flat angles C4'-P-C4' energy: -81.691
flat angles P-C4'-P energy: -49.083
tors. eta vs tors. theta energy: -110.139
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 402
Temperature: 0.950000
Total energy: -1000.379617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1000.379617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1000.379617 (E_RNA)
where:
Base-Base interactions energy: -646.041
where: short stacking energy: -292.009
Base-Backbone interact. energy: 0.836
local terms energy: -355.174953
where:
bonds (distance) C4'-P energy: -58.803
bonds (distance) P-C4' energy: -64.606
flat angles C4'-P-C4' energy: -82.188
flat angles P-C4'-P energy: -53.024
tors. eta vs tors. theta energy: -96.552
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 402
Temperature: 1.000000
Total energy: -886.293512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -886.293512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -886.293512 (E_RNA)
where:
Base-Base interactions energy: -580.931
where: short stacking energy: -239.594
Base-Backbone interact. energy: 0.627
local terms energy: -305.989075
where:
bonds (distance) C4'-P energy: -68.017
bonds (distance) P-C4' energy: -63.786
flat angles C4'-P-C4' energy: -70.223
flat angles P-C4'-P energy: -40.586
tors. eta vs tors. theta energy: -63.377
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 402
Temperature: 1.050000
Total energy: -749.804966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -749.804966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -749.804966 (E_RNA)
where:
Base-Base interactions energy: -452.216
where: short stacking energy: -240.914
Base-Backbone interact. energy: 0.578
local terms energy: -298.166929
where:
bonds (distance) C4'-P energy: -47.962
bonds (distance) P-C4' energy: -69.420
flat angles C4'-P-C4' energy: -65.727
flat angles P-C4'-P energy: -42.252
tors. eta vs tors. theta energy: -72.805
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: 5
=====================================
Write number: 402
Temperature: 1.100000
Total energy: -768.961628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -768.961628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -768.961628 (E_RNA)
where:
Base-Base interactions energy: -475.522
where: short stacking energy: -236.761
Base-Backbone interact. energy: 3.133
local terms energy: -296.572655
where:
bonds (distance) C4'-P energy: -59.286
bonds (distance) P-C4' energy: -59.823
flat angles C4'-P-C4' energy: -70.952
flat angles P-C4'-P energy: -42.014
tors. eta vs tors. theta energy: -64.498
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 402
Temperature: 1.150000
Total energy: -528.781215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.781215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.781215 (E_RNA)
where:
Base-Base interactions energy: -306.771
where: short stacking energy: -145.124
Base-Backbone interact. energy: 2.701
local terms energy: -224.710368
where:
bonds (distance) C4'-P energy: -62.717
bonds (distance) P-C4' energy: -66.260
flat angles C4'-P-C4' energy: -49.886
flat angles P-C4'-P energy: -30.753
tors. eta vs tors. theta energy: -15.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 402
Temperature: 1.200000
Total energy: -348.727823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.727823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.727823 (E_RNA)
where:
Base-Base interactions energy: -133.454
where: short stacking energy: -83.972
Base-Backbone interact. energy: -1.753
local terms energy: -213.520347
where:
bonds (distance) C4'-P energy: -52.481
bonds (distance) P-C4' energy: -67.409
flat angles C4'-P-C4' energy: -59.461
flat angles P-C4'-P energy: -36.647
tors. eta vs tors. theta energy: 2.478
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 402
Temperature: 1.250000
Total energy: -327.470470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.470470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.470470 (E_RNA)
where:
Base-Base interactions energy: -89.505
where: short stacking energy: -87.311
Base-Backbone interact. energy: -0.534
local terms energy: -237.431128
where:
bonds (distance) C4'-P energy: -53.183
bonds (distance) P-C4' energy: -65.512
flat angles C4'-P-C4' energy: -70.248
flat angles P-C4'-P energy: -36.708
tors. eta vs tors. theta energy: -11.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 402
Temperature: 1.300000
Total energy: -312.489302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.489302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.489302 (E_RNA)
where:
Base-Base interactions energy: -122.442
where: short stacking energy: -101.809
Base-Backbone interact. energy: -1.977
local terms energy: -188.069659
where:
bonds (distance) C4'-P energy: -49.103
bonds (distance) P-C4' energy: -60.919
flat angles C4'-P-C4' energy: -40.269
flat angles P-C4'-P energy: -35.298
tors. eta vs tors. theta energy: -2.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 402
Temperature: 1.350000
Total energy: -289.372515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.372515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.372515 (E_RNA)
where:
Base-Base interactions energy: -104.886
where: short stacking energy: -66.992
Base-Backbone interact. energy: -0.568
local terms energy: -183.918748
where:
bonds (distance) C4'-P energy: -56.157
bonds (distance) P-C4' energy: -59.086
flat angles C4'-P-C4' energy: -51.851
flat angles P-C4'-P energy: -31.081
tors. eta vs tors. theta energy: 14.257
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 403
Temperature: 0.900000
Total energy: -1085.623426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1085.623426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1085.623426 (E_RNA)
where:
Base-Base interactions energy: -719.993
where: short stacking energy: -336.759
Base-Backbone interact. energy: -0.429
local terms energy: -365.201113
where:
bonds (distance) C4'-P energy: -66.796
bonds (distance) P-C4' energy: -64.366
flat angles C4'-P-C4' energy: -79.229
flat angles P-C4'-P energy: -48.778
tors. eta vs tors. theta energy: -106.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 403
Temperature: 0.950000
Total energy: -983.043948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -983.043948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -983.043948 (E_RNA)
where:
Base-Base interactions energy: -633.447
where: short stacking energy: -296.463
Base-Backbone interact. energy: -2.526
local terms energy: -347.071272
where:
bonds (distance) C4'-P energy: -60.254
bonds (distance) P-C4' energy: -69.253
flat angles C4'-P-C4' energy: -75.069
flat angles P-C4'-P energy: -52.263
tors. eta vs tors. theta energy: -90.233
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 403
Temperature: 1.000000
Total energy: -887.200923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -887.200923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -887.200923 (E_RNA)
where:
Base-Base interactions energy: -567.749
where: short stacking energy: -242.721
Base-Backbone interact. energy: -2.015
local terms energy: -317.436974
where:
bonds (distance) C4'-P energy: -64.237
bonds (distance) P-C4' energy: -70.602
flat angles C4'-P-C4' energy: -72.483
flat angles P-C4'-P energy: -41.411
tors. eta vs tors. theta energy: -68.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 403
Temperature: 1.050000
Total energy: -814.101176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -814.101176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -814.101176 (E_RNA)
where:
Base-Base interactions energy: -506.658
where: short stacking energy: -239.823
Base-Backbone interact. energy: -2.403
local terms energy: -305.040104
where:
bonds (distance) C4'-P energy: -58.392
bonds (distance) P-C4' energy: -53.025
flat angles C4'-P-C4' energy: -77.358
flat angles P-C4'-P energy: -46.647
tors. eta vs tors. theta energy: -69.619
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: 6
=====================================
Write number: 403
Temperature: 1.100000
Total energy: -690.981493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -690.981493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -690.981493 (E_RNA)
where:
Base-Base interactions energy: -415.146
where: short stacking energy: -213.609
Base-Backbone interact. energy: -0.994
local terms energy: -274.841815
where:
bonds (distance) C4'-P energy: -69.135
bonds (distance) P-C4' energy: -62.777
flat angles C4'-P-C4' energy: -70.664
flat angles P-C4'-P energy: -34.237
tors. eta vs tors. theta energy: -38.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 403
Temperature: 1.150000
Total energy: -545.356102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.356102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.356102 (E_RNA)
where:
Base-Base interactions energy: -315.683
where: short stacking energy: -160.336
Base-Backbone interact. energy: -0.625
local terms energy: -229.048348
where:
bonds (distance) C4'-P energy: -51.663
bonds (distance) P-C4' energy: -65.636
flat angles C4'-P-C4' energy: -59.557
flat angles P-C4'-P energy: -37.898
tors. eta vs tors. theta energy: -14.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 403
Temperature: 1.200000
Total energy: -329.135864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.135864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.135864 (E_RNA)
where:
Base-Base interactions energy: -104.200
where: short stacking energy: -84.912
Base-Backbone interact. energy: -2.174
local terms energy: -222.762376
where:
bonds (distance) C4'-P energy: -59.853
bonds (distance) P-C4' energy: -54.321
flat angles C4'-P-C4' energy: -61.372
flat angles P-C4'-P energy: -43.003
tors. eta vs tors. theta energy: -4.213
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 403
Temperature: 1.250000
Total energy: -311.645991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.645991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.645991 (E_RNA)
where:
Base-Base interactions energy: -93.236
where: short stacking energy: -70.488
Base-Backbone interact. energy: -1.021
local terms energy: -217.389072
where:
bonds (distance) C4'-P energy: -66.890
bonds (distance) P-C4' energy: -70.539
flat angles C4'-P-C4' energy: -46.542
flat angles P-C4'-P energy: -39.488
tors. eta vs tors. theta energy: 6.069
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: 9, replica: 2
=====================================
Write number: 403
Temperature: 1.300000
Total energy: -294.634902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.634902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.634902 (E_RNA)
where:
Base-Base interactions energy: -114.193
where: short stacking energy: -81.402
Base-Backbone interact. energy: 2.720
local terms energy: -183.161257
where:
bonds (distance) C4'-P energy: -62.527
bonds (distance) P-C4' energy: -62.114
flat angles C4'-P-C4' energy: -32.549
flat angles P-C4'-P energy: -25.099
tors. eta vs tors. theta energy: -0.873
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 403
Temperature: 1.350000
Total energy: -263.780227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.780227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.780227 (E_RNA)
where:
Base-Base interactions energy: -86.695
where: short stacking energy: -55.524
Base-Backbone interact. energy: -1.706
local terms energy: -175.379711
where:
bonds (distance) C4'-P energy: -71.433
bonds (distance) P-C4' energy: -57.981
flat angles C4'-P-C4' energy: -41.452
flat angles P-C4'-P energy: -21.979
tors. eta vs tors. theta energy: 17.466
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 404
Temperature: 0.900000
Total energy: -1071.875876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1071.875876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1071.875876 (E_RNA)
where:
Base-Base interactions energy: -694.818
where: short stacking energy: -310.854
Base-Backbone interact. energy: -1.840
local terms energy: -375.217697
where:
bonds (distance) C4'-P energy: -66.030
bonds (distance) P-C4' energy: -76.197
flat angles C4'-P-C4' energy: -71.062
flat angles P-C4'-P energy: -52.765
tors. eta vs tors. theta energy: -109.163
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: 2, replica: 1
=====================================
Write number: 404
Temperature: 0.950000
Total energy: -1007.619527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1007.619527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1007.619527 (E_RNA)
where:
Base-Base interactions energy: -649.377
where: short stacking energy: -307.369
Base-Backbone interact. energy: 0.645
local terms energy: -358.888113
where:
bonds (distance) C4'-P energy: -70.808
bonds (distance) P-C4' energy: -73.443
flat angles C4'-P-C4' energy: -72.790
flat angles P-C4'-P energy: -46.246
tors. eta vs tors. theta energy: -95.601
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: 3, replica: 3
=====================================
Write number: 404
Temperature: 1.000000
Total energy: -904.329498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -904.329498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -904.329498 (E_RNA)
where:
Base-Base interactions energy: -599.496
where: short stacking energy: -285.294
Base-Backbone interact. energy: -1.117
local terms energy: -303.715914
where:
bonds (distance) C4'-P energy: -62.196
bonds (distance) P-C4' energy: -51.912
flat angles C4'-P-C4' energy: -63.639
flat angles P-C4'-P energy: -41.703
tors. eta vs tors. theta energy: -84.266
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 404
Temperature: 1.050000
Total energy: -824.162477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -824.162477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -824.162477 (E_RNA)
where:
Base-Base interactions energy: -523.237
where: short stacking energy: -261.257
Base-Backbone interact. energy: 2.135
local terms energy: -303.060848
where:
bonds (distance) C4'-P energy: -70.483
bonds (distance) P-C4' energy: -54.935
flat angles C4'-P-C4' energy: -66.613
flat angles P-C4'-P energy: -44.314
tors. eta vs tors. theta energy: -66.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 404
Temperature: 1.100000
Total energy: -713.617752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -713.617752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -713.617752 (E_RNA)
where:
Base-Base interactions energy: -431.862
where: short stacking energy: -215.508
Base-Backbone interact. energy: 0.950
local terms energy: -282.705277
where:
bonds (distance) C4'-P energy: -59.967
bonds (distance) P-C4' energy: -70.221
flat angles C4'-P-C4' energy: -56.609
flat angles P-C4'-P energy: -40.851
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: 6, replica: 7
=====================================
Write number: 404
Temperature: 1.150000
Total energy: -592.816148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -592.816148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -592.816148 (E_RNA)
where:
Base-Base interactions energy: -331.541
where: short stacking energy: -163.656
Base-Backbone interact. energy: -0.968
local terms energy: -260.306457
where:
bonds (distance) C4'-P energy: -63.937
bonds (distance) P-C4' energy: -70.489
flat angles C4'-P-C4' energy: -53.463
flat angles P-C4'-P energy: -40.207
tors. eta vs tors. theta energy: -32.210
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 404
Temperature: 1.200000
Total energy: -359.666157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.666157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.666157 (E_RNA)
where:
Base-Base interactions energy: -125.382
where: short stacking energy: -118.723
Base-Backbone interact. energy: 1.525
local terms energy: -235.809549
where:
bonds (distance) C4'-P energy: -54.210
bonds (distance) P-C4' energy: -69.650
flat angles C4'-P-C4' energy: -56.079
flat angles P-C4'-P energy: -47.845
tors. eta vs tors. theta energy: -8.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 404
Temperature: 1.250000
Total energy: -301.438704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.438704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.438704 (E_RNA)
where:
Base-Base interactions energy: -108.828
where: short stacking energy: -70.932
Base-Backbone interact. energy: 5.628
local terms energy: -198.238076
where:
bonds (distance) C4'-P energy: -62.445
bonds (distance) P-C4' energy: -66.938
flat angles C4'-P-C4' energy: -54.754
flat angles P-C4'-P energy: -31.323
tors. eta vs tors. theta energy: 17.222
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: 2
=====================================
Write number: 404
Temperature: 1.300000
Total energy: -284.243901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.243901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.243901 (E_RNA)
where:
Base-Base interactions energy: -87.132
where: short stacking energy: -78.793
Base-Backbone interact. energy: 2.937
local terms energy: -200.049169
where:
bonds (distance) C4'-P energy: -63.751
bonds (distance) P-C4' energy: -63.443
flat angles C4'-P-C4' energy: -42.893
flat angles P-C4'-P energy: -29.875
tors. eta vs tors. theta energy: -0.087
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: 9
=====================================
Write number: 404
Temperature: 1.350000
Total energy: -305.192458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.192458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.192458 (E_RNA)
where:
Base-Base interactions energy: -125.278
where: short stacking energy: -101.308
Base-Backbone interact. energy: 0.655
local terms energy: -180.570100
where:
bonds (distance) C4'-P energy: -41.516
bonds (distance) P-C4' energy: -59.957
flat angles C4'-P-C4' energy: -52.522
flat angles P-C4'-P energy: -17.675
tors. eta vs tors. theta energy: -8.900
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 405
Temperature: 0.900000
Total energy: -1085.023827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1085.023827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1085.023827 (E_RNA)
where:
Base-Base interactions energy: -713.570
where: short stacking energy: -310.157
Base-Backbone interact. energy: -0.747
local terms energy: -370.707368
where:
bonds (distance) C4'-P energy: -74.346
bonds (distance) P-C4' energy: -64.326
flat angles C4'-P-C4' energy: -77.620
flat angles P-C4'-P energy: -44.894
tors. eta vs tors. theta energy: -109.522
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: 1
=====================================
Write number: 405
Temperature: 0.950000
Total energy: -1006.049047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1006.049047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1006.049047 (E_RNA)
where:
Base-Base interactions energy: -655.243
where: short stacking energy: -301.038
Base-Backbone interact. energy: -0.175
local terms energy: -350.631062
where:
bonds (distance) C4'-P energy: -65.103
bonds (distance) P-C4' energy: -65.894
flat angles C4'-P-C4' energy: -80.822
flat angles P-C4'-P energy: -51.498
tors. eta vs tors. theta energy: -87.314
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 405
Temperature: 1.000000
Total energy: -928.026557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -928.026557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -928.026557 (E_RNA)
where:
Base-Base interactions energy: -590.754
where: short stacking energy: -253.670
Base-Backbone interact. energy: -0.287
local terms energy: -336.985896
where:
bonds (distance) C4'-P energy: -60.658
bonds (distance) P-C4' energy: -68.654
flat angles C4'-P-C4' energy: -79.146
flat angles P-C4'-P energy: -49.679
tors. eta vs tors. theta energy: -78.850
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: 5
=====================================
Write number: 405
Temperature: 1.050000
Total energy: -793.451342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -793.451342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -793.451342 (E_RNA)
where:
Base-Base interactions energy: -476.589
where: short stacking energy: -235.966
Base-Backbone interact. energy: 2.481
local terms energy: -319.343791
where:
bonds (distance) C4'-P energy: -69.014
bonds (distance) P-C4' energy: -66.437
flat angles C4'-P-C4' energy: -73.831
flat angles P-C4'-P energy: -37.794
tors. eta vs tors. theta energy: -72.268
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 405
Temperature: 1.100000
Total energy: -711.633768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -711.633768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -711.633768 (E_RNA)
where:
Base-Base interactions energy: -425.511
where: short stacking energy: -210.348
Base-Backbone interact. energy: -0.817
local terms energy: -285.305567
where:
bonds (distance) C4'-P energy: -66.640
bonds (distance) P-C4' energy: -52.900
flat angles C4'-P-C4' energy: -65.601
flat angles P-C4'-P energy: -47.984
tors. eta vs tors. theta energy: -52.180
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 405
Temperature: 1.150000
Total energy: -555.288711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -555.288711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -555.288711 (E_RNA)
where:
Base-Base interactions energy: -317.095
where: short stacking energy: -144.090
Base-Backbone interact. energy: 1.997
local terms energy: -240.191130
where:
bonds (distance) C4'-P energy: -54.351
bonds (distance) P-C4' energy: -63.796
flat angles C4'-P-C4' energy: -52.184
flat angles P-C4'-P energy: -45.208
tors. eta vs tors. theta energy: -24.653
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: 8
=====================================
Write number: 405
Temperature: 1.200000
Total energy: -394.715424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -394.715424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -394.715424 (E_RNA)
where:
Base-Base interactions energy: -169.546
where: short stacking energy: -127.353
Base-Backbone interact. energy: 0.684
local terms energy: -225.853239
where:
bonds (distance) C4'-P energy: -57.406
bonds (distance) P-C4' energy: -59.502
flat angles C4'-P-C4' energy: -59.978
flat angles P-C4'-P energy: -35.810
tors. eta vs tors. theta energy: -13.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 405
Temperature: 1.250000
Total energy: -298.577687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.577687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.577687 (E_RNA)
where:
Base-Base interactions energy: -90.058
where: short stacking energy: -76.840
Base-Backbone interact. energy: 0.873
local terms energy: -209.392511
where:
bonds (distance) C4'-P energy: -50.490
bonds (distance) P-C4' energy: -72.980
flat angles C4'-P-C4' energy: -55.795
flat angles P-C4'-P energy: -34.675
tors. eta vs tors. theta energy: 4.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 405
Temperature: 1.300000
Total energy: -287.126033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.126033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.126033 (E_RNA)
where:
Base-Base interactions energy: -94.812
where: short stacking energy: -79.957
Base-Backbone interact. energy: 2.557
local terms energy: -194.870528
where:
bonds (distance) C4'-P energy: -62.494
bonds (distance) P-C4' energy: -61.153
flat angles C4'-P-C4' energy: -48.890
flat angles P-C4'-P energy: -24.011
tors. eta vs tors. theta energy: 1.677
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: 10, replica: 9
=====================================
Write number: 405
Temperature: 1.350000
Total energy: -290.227917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.227917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.227917 (E_RNA)
where:
Base-Base interactions energy: -91.602
where: short stacking energy: -83.270
Base-Backbone interact. energy: -1.421
local terms energy: -197.204557
where:
bonds (distance) C4'-P energy: -59.541
bonds (distance) P-C4' energy: -65.508
flat angles C4'-P-C4' energy: -44.710
flat angles P-C4'-P energy: -26.963
tors. eta vs tors. theta energy: -0.483
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 406
Temperature: 0.900000
Total energy: -1095.365779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1095.365779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1095.365779 (E_RNA)
where:
Base-Base interactions energy: -725.545
where: short stacking energy: -313.813
Base-Backbone interact. energy: 0.112
local terms energy: -369.933236
where:
bonds (distance) C4'-P energy: -71.919
bonds (distance) P-C4' energy: -70.724
flat angles C4'-P-C4' energy: -73.648
flat angles P-C4'-P energy: -48.241
tors. eta vs tors. theta energy: -105.402
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: 1
=====================================
Write number: 406
Temperature: 0.950000
Total energy: -1033.135778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1033.135778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1033.135778 (E_RNA)
where:
Base-Base interactions energy: -671.780
where: short stacking energy: -310.185
Base-Backbone interact. energy: 1.463
local terms energy: -362.818438
where:
bonds (distance) C4'-P energy: -67.701
bonds (distance) P-C4' energy: -83.143
flat angles C4'-P-C4' energy: -71.607
flat angles P-C4'-P energy: -44.270
tors. eta vs tors. theta energy: -96.098
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: 406
Temperature: 1.000000
Total energy: -923.496129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -923.496129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -923.496129 (E_RNA)
where:
Base-Base interactions energy: -590.757
where: short stacking energy: -267.607
Base-Backbone interact. energy: 1.168
local terms energy: -333.907216
where:
bonds (distance) C4'-P energy: -56.621
bonds (distance) P-C4' energy: -69.674
flat angles C4'-P-C4' energy: -74.004
flat angles P-C4'-P energy: -51.530
tors. eta vs tors. theta energy: -82.079
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: 5
=====================================
Write number: 406
Temperature: 1.050000
Total energy: -822.829021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -822.829021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -822.829021 (E_RNA)
where:
Base-Base interactions energy: -511.214
where: short stacking energy: -242.074
Base-Backbone interact. energy: 0.758
local terms energy: -312.373169
where:
bonds (distance) C4'-P energy: -68.924
bonds (distance) P-C4' energy: -56.562
flat angles C4'-P-C4' energy: -77.507
flat angles P-C4'-P energy: -35.534
tors. eta vs tors. theta energy: -73.846
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 406
Temperature: 1.100000
Total energy: -714.008723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -714.008723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -714.008723 (E_RNA)
where:
Base-Base interactions energy: -423.546
where: short stacking energy: -216.132
Base-Backbone interact. energy: -1.685
local terms energy: -288.777461
where:
bonds (distance) C4'-P energy: -53.885
bonds (distance) P-C4' energy: -71.441
flat angles C4'-P-C4' energy: -70.652
flat angles P-C4'-P energy: -40.343
tors. eta vs tors. theta energy: -52.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 406
Temperature: 1.150000
Total energy: -588.969343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -588.969343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -588.969343 (E_RNA)
where:
Base-Base interactions energy: -359.864
where: short stacking energy: -142.317
Base-Backbone interact. energy: -2.192
local terms energy: -226.912662
where:
bonds (distance) C4'-P energy: -58.631
bonds (distance) P-C4' energy: -64.173
flat angles C4'-P-C4' energy: -56.228
flat angles P-C4'-P energy: -43.337
tors. eta vs tors. theta energy: -4.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 406
Temperature: 1.200000
Total energy: -339.582521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.582521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.582521 (E_RNA)
where:
Base-Base interactions energy: -130.213
where: short stacking energy: -113.195
Base-Backbone interact. energy: 0.295
local terms energy: -209.663805
where:
bonds (distance) C4'-P energy: -59.992
bonds (distance) P-C4' energy: -51.819
flat angles C4'-P-C4' energy: -61.439
flat angles P-C4'-P energy: -32.868
tors. eta vs tors. theta energy: -3.546
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 406
Temperature: 1.250000
Total energy: -300.877452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.877452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.877452 (E_RNA)
where:
Base-Base interactions energy: -102.484
where: short stacking energy: -93.088
Base-Backbone interact. energy: -1.832
local terms energy: -196.561449
where:
bonds (distance) C4'-P energy: -53.024
bonds (distance) P-C4' energy: -57.140
flat angles C4'-P-C4' energy: -50.458
flat angles P-C4'-P energy: -40.104
tors. eta vs tors. theta energy: 4.165
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 406
Temperature: 1.300000
Total energy: -299.161700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.161700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.161700 (E_RNA)
where:
Base-Base interactions energy: -99.459
where: short stacking energy: -74.929
Base-Backbone interact. energy: 1.247
local terms energy: -200.949308
where:
bonds (distance) C4'-P energy: -60.976
bonds (distance) P-C4' energy: -69.008
flat angles C4'-P-C4' energy: -47.603
flat angles P-C4'-P energy: -33.640
tors. eta vs tors. theta energy: 10.279
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 406
Temperature: 1.350000
Total energy: -285.699627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.699627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.699627 (E_RNA)
where:
Base-Base interactions energy: -107.457
where: short stacking energy: -78.294
Base-Backbone interact. energy: 0.379
local terms energy: -178.621722
where:
bonds (distance) C4'-P energy: -63.686
bonds (distance) P-C4' energy: -51.117
flat angles C4'-P-C4' energy: -46.103
flat angles P-C4'-P energy: -28.616
tors. eta vs tors. theta energy: 10.900
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 407
Temperature: 0.900000
Total energy: -1094.227513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1094.227513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1094.227513 (E_RNA)
where:
Base-Base interactions energy: -700.524
where: short stacking energy: -318.471
Base-Backbone interact. energy: -2.069
local terms energy: -391.634083
where:
bonds (distance) C4'-P energy: -71.191
bonds (distance) P-C4' energy: -74.799
flat angles C4'-P-C4' energy: -77.739
flat angles P-C4'-P energy: -54.377
tors. eta vs tors. theta energy: -113.527
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: 1
=====================================
Write number: 407
Temperature: 0.950000
Total energy: -983.806287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -983.806287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -983.806287 (E_RNA)
where:
Base-Base interactions energy: -656.766
where: short stacking energy: -289.448
Base-Backbone interact. energy: -0.059
local terms energy: -326.982049
where:
bonds (distance) C4'-P energy: -57.974
bonds (distance) P-C4' energy: -62.746
flat angles C4'-P-C4' energy: -76.246
flat angles P-C4'-P energy: -42.611
tors. eta vs tors. theta energy: -87.405
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 407
Temperature: 1.000000
Total energy: -940.461390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -940.461390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -940.461390 (E_RNA)
where:
Base-Base interactions energy: -611.514
where: short stacking energy: -277.839
Base-Backbone interact. energy: -1.454
local terms energy: -327.493886
where:
bonds (distance) C4'-P energy: -68.436
bonds (distance) P-C4' energy: -62.935
flat angles C4'-P-C4' energy: -67.109
flat angles P-C4'-P energy: -42.994
tors. eta vs tors. theta energy: -86.019
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: 4, replica: 5
=====================================
Write number: 407
Temperature: 1.050000
Total energy: -833.517409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -833.517409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -833.517409 (E_RNA)
where:
Base-Base interactions energy: -509.588
where: short stacking energy: -261.058
Base-Backbone interact. energy: 0.901
local terms energy: -324.829881
where:
bonds (distance) C4'-P energy: -68.772
bonds (distance) P-C4' energy: -64.280
flat angles C4'-P-C4' energy: -65.220
flat angles P-C4'-P energy: -52.825
tors. eta vs tors. theta energy: -73.732
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: 5, replica: 6
=====================================
Write number: 407
Temperature: 1.100000
Total energy: -700.237365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -700.237365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -700.237365 (E_RNA)
where:
Base-Base interactions energy: -412.476
where: short stacking energy: -216.174
Base-Backbone interact. energy: 0.146
local terms energy: -287.907892
where:
bonds (distance) C4'-P energy: -67.874
bonds (distance) P-C4' energy: -69.084
flat angles C4'-P-C4' energy: -66.275
flat angles P-C4'-P energy: -32.549
tors. eta vs tors. theta energy: -52.126
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 407
Temperature: 1.150000
Total energy: -588.657962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -588.657962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -588.657962 (E_RNA)
where:
Base-Base interactions energy: -364.879
where: short stacking energy: -173.409
Base-Backbone interact. energy: -2.115
local terms energy: -221.663979
where:
bonds (distance) C4'-P energy: -61.260
bonds (distance) P-C4' energy: -58.268
flat angles C4'-P-C4' energy: -53.716
flat angles P-C4'-P energy: -21.214
tors. eta vs tors. theta energy: -27.207
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: 407
Temperature: 1.200000
Total energy: -336.422252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.422252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.422252 (E_RNA)
where:
Base-Base interactions energy: -133.583
where: short stacking energy: -91.233
Base-Backbone interact. energy: 1.357
local terms energy: -204.196854
where:
bonds (distance) C4'-P energy: -53.759
bonds (distance) P-C4' energy: -61.419
flat angles C4'-P-C4' energy: -57.292
flat angles P-C4'-P energy: -39.423
tors. eta vs tors. theta energy: 7.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 407
Temperature: 1.250000
Total energy: -312.691000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.691000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.691000 (E_RNA)
where:
Base-Base interactions energy: -122.393
where: short stacking energy: -78.144
Base-Backbone interact. energy: 1.898
local terms energy: -192.196007
where:
bonds (distance) C4'-P energy: -64.121
bonds (distance) P-C4' energy: -54.977
flat angles C4'-P-C4' energy: -44.965
flat angles P-C4'-P energy: -33.683
tors. eta vs tors. theta energy: 5.550
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: 9, replica: 2
=====================================
Write number: 407
Temperature: 1.300000
Total energy: -295.741256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.741256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.741256 (E_RNA)
where:
Base-Base interactions energy: -101.122
where: short stacking energy: -69.973
Base-Backbone interact. energy: 0.825
local terms energy: -195.444330
where:
bonds (distance) C4'-P energy: -56.808
bonds (distance) P-C4' energy: -68.070
flat angles C4'-P-C4' energy: -41.932
flat angles P-C4'-P energy: -40.658
tors. eta vs tors. theta energy: 12.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 407
Temperature: 1.350000
Total energy: -270.501805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.501805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.501805 (E_RNA)
where:
Base-Base interactions energy: -78.077
where: short stacking energy: -67.195
Base-Backbone interact. energy: -0.165
local terms energy: -192.259343
where:
bonds (distance) C4'-P energy: -47.565
bonds (distance) P-C4' energy: -54.984
flat angles C4'-P-C4' energy: -58.199
flat angles P-C4'-P energy: -49.910
tors. eta vs tors. theta energy: 18.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 408
Temperature: 0.900000
Total energy: -1104.210806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1104.210806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1104.210806 (E_RNA)
where:
Base-Base interactions energy: -731.770
where: short stacking energy: -322.151
Base-Backbone interact. energy: 1.819
local terms energy: -374.259738
where:
bonds (distance) C4'-P energy: -70.414
bonds (distance) P-C4' energy: -72.162
flat angles C4'-P-C4' energy: -77.892
flat angles P-C4'-P energy: -44.536
tors. eta vs tors. theta energy: -109.256
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: 2, replica: 1
=====================================
Write number: 408
Temperature: 0.950000
Total energy: -1044.625312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1044.625312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1044.625312 (E_RNA)
where:
Base-Base interactions energy: -687.622
where: short stacking energy: -313.711
Base-Backbone interact. energy: -0.048
local terms energy: -356.955491
where:
bonds (distance) C4'-P energy: -66.952
bonds (distance) P-C4' energy: -64.682
flat angles C4'-P-C4' energy: -71.147
flat angles P-C4'-P energy: -53.120
tors. eta vs tors. theta energy: -101.054
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 408
Temperature: 1.000000
Total energy: -917.416530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -917.416530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -917.416530 (E_RNA)
where:
Base-Base interactions energy: -593.933
where: short stacking energy: -276.495
Base-Backbone interact. energy: -0.512
local terms energy: -322.971341
where:
bonds (distance) C4'-P energy: -54.481
bonds (distance) P-C4' energy: -77.587
flat angles C4'-P-C4' energy: -62.310
flat angles P-C4'-P energy: -45.638
tors. eta vs tors. theta energy: -82.957
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: 4, replica: 5
=====================================
Write number: 408
Temperature: 1.050000
Total energy: -840.102312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -840.102312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -840.102312 (E_RNA)
where:
Base-Base interactions energy: -521.726
where: short stacking energy: -276.450
Base-Backbone interact. energy: -1.349
local terms energy: -317.027549
where:
bonds (distance) C4'-P energy: -60.835
bonds (distance) P-C4' energy: -60.830
flat angles C4'-P-C4' energy: -73.675
flat angles P-C4'-P energy: -42.651
tors. eta vs tors. theta energy: -79.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 408
Temperature: 1.100000
Total energy: -700.198139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -700.198139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -700.198139 (E_RNA)
where:
Base-Base interactions energy: -400.872
where: short stacking energy: -208.518
Base-Backbone interact. energy: -2.739
local terms energy: -296.587245
where:
bonds (distance) C4'-P energy: -64.573
bonds (distance) P-C4' energy: -66.131
flat angles C4'-P-C4' energy: -67.642
flat angles P-C4'-P energy: -42.669
tors. eta vs tors. theta energy: -55.573
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 408
Temperature: 1.150000
Total energy: -575.715878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -575.715878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -575.715878 (E_RNA)
where:
Base-Base interactions energy: -354.525
where: short stacking energy: -145.793
Base-Backbone interact. energy: 1.987
local terms energy: -223.178258
where:
bonds (distance) C4'-P energy: -64.667
bonds (distance) P-C4' energy: -70.883
flat angles C4'-P-C4' energy: -40.223
flat angles P-C4'-P energy: -35.864
tors. eta vs tors. theta energy: -11.541
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 408
Temperature: 1.200000
Total energy: -352.475177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.475177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.475177 (E_RNA)
where:
Base-Base interactions energy: -168.997
where: short stacking energy: -109.111
Base-Backbone interact. energy: 0.709
local terms energy: -184.186674
where:
bonds (distance) C4'-P energy: -53.348
bonds (distance) P-C4' energy: -71.264
flat angles C4'-P-C4' energy: -40.534
flat angles P-C4'-P energy: -28.009
tors. eta vs tors. theta energy: 8.968
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 408
Temperature: 1.250000
Total energy: -341.566733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.566733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.566733 (E_RNA)
where:
Base-Base interactions energy: -129.075
where: short stacking energy: -93.737
Base-Backbone interact. energy: -1.319
local terms energy: -211.172234
where:
bonds (distance) C4'-P energy: -50.741
bonds (distance) P-C4' energy: -63.753
flat angles C4'-P-C4' energy: -54.045
flat angles P-C4'-P energy: -42.158
tors. eta vs tors. theta energy: -0.475
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: 2
=====================================
Write number: 408
Temperature: 1.300000
Total energy: -321.812896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.812896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.812896 (E_RNA)
where:
Base-Base interactions energy: -97.702
where: short stacking energy: -84.549
Base-Backbone interact. energy: -0.285
local terms energy: -223.825659
where:
bonds (distance) C4'-P energy: -66.368
bonds (distance) P-C4' energy: -74.714
flat angles C4'-P-C4' energy: -50.561
flat angles P-C4'-P energy: -36.485
tors. eta vs tors. theta energy: 4.304
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: 9
=====================================
Write number: 408
Temperature: 1.350000
Total energy: -271.714591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.714591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.714591 (E_RNA)
where:
Base-Base interactions energy: -82.850
where: short stacking energy: -68.980
Base-Backbone interact. energy: -0.454
local terms energy: -188.410622
where:
bonds (distance) C4'-P energy: -49.361
bonds (distance) P-C4' energy: -61.352
flat angles C4'-P-C4' energy: -55.510
flat angles P-C4'-P energy: -29.765
tors. eta vs tors. theta energy: 7.577
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: 4
=====================================
Write number: 409
Temperature: 0.900000
Total energy: -1090.283257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1090.283257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1090.283257 (E_RNA)
where:
Base-Base interactions energy: -714.509
where: short stacking energy: -321.873
Base-Backbone interact. energy: 0.351
local terms energy: -376.124649
where:
bonds (distance) C4'-P energy: -70.286
bonds (distance) P-C4' energy: -73.939
flat angles C4'-P-C4' energy: -73.443
flat angles P-C4'-P energy: -49.301
tors. eta vs tors. theta energy: -109.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 409
Temperature: 0.950000
Total energy: -1038.207488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1038.207488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1038.207488 (E_RNA)
where:
Base-Base interactions energy: -690.885
where: short stacking energy: -287.710
Base-Backbone interact. energy: 2.009
local terms energy: -349.331460
where:
bonds (distance) C4'-P energy: -65.694
bonds (distance) P-C4' energy: -72.353
flat angles C4'-P-C4' energy: -67.841
flat angles P-C4'-P energy: -43.964
tors. eta vs tors. theta energy: -99.480
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: 3
=====================================
Write number: 409
Temperature: 1.000000
Total energy: -944.623326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -944.623326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -944.623326 (E_RNA)
where:
Base-Base interactions energy: -611.101
where: short stacking energy: -291.275
Base-Backbone interact. energy: 0.123
local terms energy: -333.644981
where:
bonds (distance) C4'-P energy: -62.352
bonds (distance) P-C4' energy: -70.510
flat angles C4'-P-C4' energy: -65.915
flat angles P-C4'-P energy: -47.262
tors. eta vs tors. theta energy: -87.606
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: 5
=====================================
Write number: 409
Temperature: 1.050000
Total energy: -883.134779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -883.134779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -883.134779 (E_RNA)
where:
Base-Base interactions energy: -556.172
where: short stacking energy: -265.431
Base-Backbone interact. energy: -0.022
local terms energy: -326.940835
where:
bonds (distance) C4'-P energy: -61.288
bonds (distance) P-C4' energy: -59.018
flat angles C4'-P-C4' energy: -76.962
flat angles P-C4'-P energy: -48.276
tors. eta vs tors. theta energy: -81.396
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 409
Temperature: 1.100000
Total energy: -719.038378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -719.038378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -719.038378 (E_RNA)
where:
Base-Base interactions energy: -434.542
where: short stacking energy: -197.408
Base-Backbone interact. energy: -0.904
local terms energy: -283.592209
where:
bonds (distance) C4'-P energy: -66.201
bonds (distance) P-C4' energy: -62.911
flat angles C4'-P-C4' energy: -65.669
flat angles P-C4'-P energy: -35.032
tors. eta vs tors. theta energy: -53.780
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 409
Temperature: 1.150000
Total energy: -584.083317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -584.083317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -584.083317 (E_RNA)
where:
Base-Base interactions energy: -345.908
where: short stacking energy: -156.601
Base-Backbone interact. energy: -1.369
local terms energy: -236.806408
where:
bonds (distance) C4'-P energy: -56.586
bonds (distance) P-C4' energy: -60.729
flat angles C4'-P-C4' energy: -56.023
flat angles P-C4'-P energy: -38.383
tors. eta vs tors. theta energy: -25.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 409
Temperature: 1.200000
Total energy: -365.854461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.854461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.854461 (E_RNA)
where:
Base-Base interactions energy: -138.869
where: short stacking energy: -92.814
Base-Backbone interact. energy: 0.098
local terms energy: -227.083364
where:
bonds (distance) C4'-P energy: -56.815
bonds (distance) P-C4' energy: -63.256
flat angles C4'-P-C4' energy: -70.465
flat angles P-C4'-P energy: -42.513
tors. eta vs tors. theta energy: 5.966
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 409
Temperature: 1.250000
Total energy: -332.405466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.405466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.405466 (E_RNA)
where:
Base-Base interactions energy: -115.312
where: short stacking energy: -90.983
Base-Backbone interact. energy: 0.436
local terms energy: -217.529794
where:
bonds (distance) C4'-P energy: -57.814
bonds (distance) P-C4' energy: -65.403
flat angles C4'-P-C4' energy: -59.320
flat angles P-C4'-P energy: -37.769
tors. eta vs tors. theta energy: 2.776
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 409
Temperature: 1.300000
Total energy: -286.839712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.839712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.839712 (E_RNA)
where:
Base-Base interactions energy: -108.172
where: short stacking energy: -88.270
Base-Backbone interact. energy: -1.028
local terms energy: -177.639040
where:
bonds (distance) C4'-P energy: -55.570
bonds (distance) P-C4' energy: -49.165
flat angles C4'-P-C4' energy: -47.407
flat angles P-C4'-P energy: -35.863
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: 9
=====================================
Write number: 409
Temperature: 1.350000
Total energy: -275.077235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.077235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.077235 (E_RNA)
where:
Base-Base interactions energy: -93.552
where: short stacking energy: -59.385
Base-Backbone interact. energy: -1.130
local terms energy: -180.394754
where:
bonds (distance) C4'-P energy: -42.789
bonds (distance) P-C4' energy: -75.534
flat angles C4'-P-C4' energy: -47.410
flat angles P-C4'-P energy: -30.326
tors. eta vs tors. theta energy: 15.663
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 410
Temperature: 0.900000
Total energy: -1085.571617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1085.571617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1085.571617 (E_RNA)
where:
Base-Base interactions energy: -700.181
where: short stacking energy: -332.075
Base-Backbone interact. energy: -0.915
local terms energy: -384.475703
where:
bonds (distance) C4'-P energy: -70.558
bonds (distance) P-C4' energy: -77.652
flat angles C4'-P-C4' energy: -79.780
flat angles P-C4'-P energy: -47.510
tors. eta vs tors. theta energy: -108.976
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 410
Temperature: 0.950000
Total energy: -1039.668332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1039.668332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1039.668332 (E_RNA)
where:
Base-Base interactions energy: -676.650
where: short stacking energy: -313.424
Base-Backbone interact. energy: -1.370
local terms energy: -361.647662
where:
bonds (distance) C4'-P energy: -71.855
bonds (distance) P-C4' energy: -65.108
flat angles C4'-P-C4' energy: -76.504
flat angles P-C4'-P energy: -46.694
tors. eta vs tors. theta energy: -101.487
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: 5
=====================================
Write number: 410
Temperature: 1.000000
Total energy: -911.416757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -911.416757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -911.416757 (E_RNA)
where:
Base-Base interactions energy: -570.725
where: short stacking energy: -269.898
Base-Backbone interact. energy: 0.228
local terms energy: -340.919473
where:
bonds (distance) C4'-P energy: -72.526
bonds (distance) P-C4' energy: -63.889
flat angles C4'-P-C4' energy: -63.532
flat angles P-C4'-P energy: -55.894
tors. eta vs tors. theta energy: -85.079
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: 3
=====================================
Write number: 410
Temperature: 1.050000
Total energy: -874.128418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -874.128418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -874.128418 (E_RNA)
where:
Base-Base interactions energy: -540.475
where: short stacking energy: -254.105
Base-Backbone interact. energy: -1.786
local terms energy: -331.867673
where:
bonds (distance) C4'-P energy: -64.554
bonds (distance) P-C4' energy: -72.444
flat angles C4'-P-C4' energy: -74.436
flat angles P-C4'-P energy: -35.971
tors. eta vs tors. theta energy: -84.463
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 410
Temperature: 1.100000
Total energy: -690.250307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -690.250307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -690.250307 (E_RNA)
where:
Base-Base interactions energy: -408.779
where: short stacking energy: -200.154
Base-Backbone interact. energy: -0.148
local terms energy: -281.322945
where:
bonds (distance) C4'-P energy: -57.759
bonds (distance) P-C4' energy: -67.374
flat angles C4'-P-C4' energy: -61.055
flat angles P-C4'-P energy: -43.128
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: 6, replica: 7
=====================================
Write number: 410
Temperature: 1.150000
Total energy: -610.984077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -610.984077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -610.984077 (E_RNA)
where:
Base-Base interactions energy: -353.882
where: short stacking energy: -177.744
Base-Backbone interact. energy: -2.096
local terms energy: -255.005882
where:
bonds (distance) C4'-P energy: -58.476
bonds (distance) P-C4' energy: -64.872
flat angles C4'-P-C4' energy: -58.854
flat angles P-C4'-P energy: -39.366
tors. eta vs tors. theta energy: -33.437
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: 2
=====================================
Write number: 410
Temperature: 1.200000
Total energy: -388.221049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -388.221049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -388.221049 (E_RNA)
where:
Base-Base interactions energy: -166.693
where: short stacking energy: -112.152
Base-Backbone interact. energy: 0.236
local terms energy: -221.764694
where:
bonds (distance) C4'-P energy: -65.928
bonds (distance) P-C4' energy: -62.123
flat angles C4'-P-C4' energy: -52.369
flat angles P-C4'-P energy: -26.048
tors. eta vs tors. theta energy: -15.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 410
Temperature: 1.250000
Total energy: -317.541278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.541278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.541278 (E_RNA)
where:
Base-Base interactions energy: -122.310
where: short stacking energy: -80.835
Base-Backbone interact. energy: -1.185
local terms energy: -194.046515
where:
bonds (distance) C4'-P energy: -65.961
bonds (distance) P-C4' energy: -57.068
flat angles C4'-P-C4' energy: -49.974
flat angles P-C4'-P energy: -26.479
tors. eta vs tors. theta energy: 5.435
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 410
Temperature: 1.300000
Total energy: -287.589078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.589078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.589078 (E_RNA)
where:
Base-Base interactions energy: -88.877
where: short stacking energy: -61.182
Base-Backbone interact. energy: 0.583
local terms energy: -199.295442
where:
bonds (distance) C4'-P energy: -59.477
bonds (distance) P-C4' energy: -70.067
flat angles C4'-P-C4' energy: -49.169
flat angles P-C4'-P energy: -32.624
tors. eta vs tors. theta energy: 12.042
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 410
Temperature: 1.350000
Total energy: -269.431482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.431482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.431482 (E_RNA)
where:
Base-Base interactions energy: -79.091
where: short stacking energy: -68.574
Base-Backbone interact. energy: -1.607
local terms energy: -188.734166
where:
bonds (distance) C4'-P energy: -60.569
bonds (distance) P-C4' energy: -71.972
flat angles C4'-P-C4' energy: -46.806
flat angles P-C4'-P energy: -30.630
tors. eta vs tors. theta energy: 21.244
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 411
Temperature: 0.900000
Total energy: -1104.593600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1104.593600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1104.593600 (E_RNA)
where:
Base-Base interactions energy: -718.618
where: short stacking energy: -317.411
Base-Backbone interact. energy: -0.878
local terms energy: -385.098337
where:
bonds (distance) C4'-P energy: -72.661
bonds (distance) P-C4' energy: -73.365
flat angles C4'-P-C4' energy: -77.922
flat angles P-C4'-P energy: -56.278
tors. eta vs tors. theta energy: -104.873
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 411
Temperature: 0.950000
Total energy: -1031.701342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1031.701342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1031.701342 (E_RNA)
where:
Base-Base interactions energy: -672.058
where: short stacking energy: -302.586
Base-Backbone interact. energy: 2.307
local terms energy: -361.950219
where:
bonds (distance) C4'-P energy: -67.573
bonds (distance) P-C4' energy: -68.375
flat angles C4'-P-C4' energy: -73.176
flat angles P-C4'-P energy: -52.792
tors. eta vs tors. theta energy: -100.034
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: 5
=====================================
Write number: 411
Temperature: 1.000000
Total energy: -920.363466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -920.363466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -920.363466 (E_RNA)
where:
Base-Base interactions energy: -590.845
where: short stacking energy: -260.036
Base-Backbone interact. energy: -1.852
local terms energy: -327.665737
where:
bonds (distance) C4'-P energy: -73.853
bonds (distance) P-C4' energy: -59.208
flat angles C4'-P-C4' energy: -73.930
flat angles P-C4'-P energy: -43.337
tors. eta vs tors. theta energy: -77.339
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 411
Temperature: 1.050000
Total energy: -876.034644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -876.034644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -876.034644 (E_RNA)
where:
Base-Base interactions energy: -561.454
where: short stacking energy: -255.021
Base-Backbone interact. energy: -0.762
local terms energy: -313.818831
where:
bonds (distance) C4'-P energy: -59.695
bonds (distance) P-C4' energy: -68.152
flat angles C4'-P-C4' energy: -60.910
flat angles P-C4'-P energy: -39.874
tors. eta vs tors. theta energy: -85.188
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: 6
=====================================
Write number: 411
Temperature: 1.100000
Total energy: -726.175306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -726.175306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -726.175306 (E_RNA)
where:
Base-Base interactions energy: -438.493
where: short stacking energy: -220.874
Base-Backbone interact. energy: 0.754
local terms energy: -288.435699
where:
bonds (distance) C4'-P energy: -60.202
bonds (distance) P-C4' energy: -64.818
flat angles C4'-P-C4' energy: -64.783
flat angles P-C4'-P energy: -40.387
tors. eta vs tors. theta energy: -58.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 411
Temperature: 1.150000
Total energy: -604.223157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -604.223157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -604.223157 (E_RNA)
where:
Base-Base interactions energy: -357.109
where: short stacking energy: -166.662
Base-Backbone interact. energy: -1.733
local terms energy: -245.380689
where:
bonds (distance) C4'-P energy: -56.204
bonds (distance) P-C4' energy: -51.300
flat angles C4'-P-C4' energy: -65.034
flat angles P-C4'-P energy: -40.293
tors. eta vs tors. theta energy: -32.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 411
Temperature: 1.200000
Total energy: -382.336788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -382.336788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -382.336788 (E_RNA)
where:
Base-Base interactions energy: -163.487
where: short stacking energy: -117.631
Base-Backbone interact. energy: -0.122
local terms energy: -218.728175
where:
bonds (distance) C4'-P energy: -62.890
bonds (distance) P-C4' energy: -61.859
flat angles C4'-P-C4' energy: -45.587
flat angles P-C4'-P energy: -29.856
tors. eta vs tors. theta energy: -18.536
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 411
Temperature: 1.250000
Total energy: -347.348134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.348134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.348134 (E_RNA)
where:
Base-Base interactions energy: -129.557
where: short stacking energy: -101.006
Base-Backbone interact. energy: 6.089
local terms energy: -223.879354
where:
bonds (distance) C4'-P energy: -69.715
bonds (distance) P-C4' energy: -60.461
flat angles C4'-P-C4' energy: -50.572
flat angles P-C4'-P energy: -32.714
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: 9, replica: 8
=====================================
Write number: 411
Temperature: 1.300000
Total energy: -358.499766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.499766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.499766 (E_RNA)
where:
Base-Base interactions energy: -153.433
where: short stacking energy: -99.634
Base-Backbone interact. energy: -2.516
local terms energy: -202.550883
where:
bonds (distance) C4'-P energy: -54.205
bonds (distance) P-C4' energy: -69.911
flat angles C4'-P-C4' energy: -64.003
flat angles P-C4'-P energy: -22.247
tors. eta vs tors. theta energy: 7.815
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 411
Temperature: 1.350000
Total energy: -262.358686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.358686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.358686 (E_RNA)
where:
Base-Base interactions energy: -89.445
where: short stacking energy: -66.287
Base-Backbone interact. energy: 0.765
local terms energy: -173.679299
where:
bonds (distance) C4'-P energy: -48.576
bonds (distance) P-C4' energy: -57.097
flat angles C4'-P-C4' energy: -51.513
flat angles P-C4'-P energy: -37.713
tors. eta vs tors. theta energy: 21.219
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: 1, replica: 4
=====================================
Write number: 412
Temperature: 0.900000
Total energy: -1088.363861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1088.363861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1088.363861 (E_RNA)
where:
Base-Base interactions energy: -716.512
where: short stacking energy: -326.241
Base-Backbone interact. energy: -0.308
local terms energy: -371.544525
where:
bonds (distance) C4'-P energy: -62.539
bonds (distance) P-C4' energy: -71.975
flat angles C4'-P-C4' energy: -81.219
flat angles P-C4'-P energy: -52.420
tors. eta vs tors. theta energy: -103.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 412
Temperature: 0.950000
Total energy: -1052.598299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1052.598299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1052.598299 (E_RNA)
where:
Base-Base interactions energy: -692.091
where: short stacking energy: -332.166
Base-Backbone interact. energy: -2.280
local terms energy: -358.227701
where:
bonds (distance) C4'-P energy: -62.821
bonds (distance) P-C4' energy: -62.921
flat angles C4'-P-C4' energy: -76.099
flat angles P-C4'-P energy: -48.672
tors. eta vs tors. theta energy: -107.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 412
Temperature: 1.000000
Total energy: -914.333681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -914.333681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -914.333681 (E_RNA)
where:
Base-Base interactions energy: -573.639
where: short stacking energy: -244.643
Base-Backbone interact. energy: -0.601
local terms energy: -340.093333
where:
bonds (distance) C4'-P energy: -59.518
bonds (distance) P-C4' energy: -78.822
flat angles C4'-P-C4' energy: -70.741
flat angles P-C4'-P energy: -56.280
tors. eta vs tors. theta energy: -74.733
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 412
Temperature: 1.050000
Total energy: -912.045630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -912.045630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -912.045630 (E_RNA)
where:
Base-Base interactions energy: -580.847
where: short stacking energy: -261.874
Base-Backbone interact. energy: -1.062
local terms energy: -330.136513
where:
bonds (distance) C4'-P energy: -61.702
bonds (distance) P-C4' energy: -69.790
flat angles C4'-P-C4' energy: -75.020
flat angles P-C4'-P energy: -40.923
tors. eta vs tors. theta energy: -82.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 412
Temperature: 1.100000
Total energy: -712.757416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -712.757416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -712.757416 (E_RNA)
where:
Base-Base interactions energy: -427.318
where: short stacking energy: -225.959
Base-Backbone interact. energy: -0.604
local terms energy: -284.835227
where:
bonds (distance) C4'-P energy: -54.466
bonds (distance) P-C4' energy: -52.961
flat angles C4'-P-C4' energy: -65.818
flat angles P-C4'-P energy: -51.322
tors. eta vs tors. theta energy: -60.268
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: 6, replica: 7
=====================================
Write number: 412
Temperature: 1.150000
Total energy: -611.330262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -611.330262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -611.330262 (E_RNA)
where:
Base-Base interactions energy: -351.084
where: short stacking energy: -156.431
Base-Backbone interact. energy: 1.397
local terms energy: -261.643089
where:
bonds (distance) C4'-P energy: -56.797
bonds (distance) P-C4' energy: -70.846
flat angles C4'-P-C4' energy: -61.125
flat angles P-C4'-P energy: -33.758
tors. eta vs tors. theta energy: -39.117
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 412
Temperature: 1.200000
Total energy: -376.384666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -376.384666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -376.384666 (E_RNA)
where:
Base-Base interactions energy: -146.791
where: short stacking energy: -120.723
Base-Backbone interact. energy: 1.984
local terms energy: -231.577910
where:
bonds (distance) C4'-P energy: -67.958
bonds (distance) P-C4' energy: -49.293
flat angles C4'-P-C4' energy: -60.128
flat angles P-C4'-P energy: -36.536
tors. eta vs tors. theta energy: -17.663
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: 10
=====================================
Write number: 412
Temperature: 1.250000
Total energy: -310.449628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.449628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.449628 (E_RNA)
where:
Base-Base interactions energy: -113.407
where: short stacking energy: -90.357
Base-Backbone interact. energy: -1.532
local terms energy: -195.511241
where:
bonds (distance) C4'-P energy: -52.249
bonds (distance) P-C4' energy: -64.728
flat angles C4'-P-C4' energy: -49.021
flat angles P-C4'-P energy: -39.261
tors. eta vs tors. theta energy: 9.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 412
Temperature: 1.300000
Total energy: -354.278538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.278538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.278538 (E_RNA)
where:
Base-Base interactions energy: -148.696
where: short stacking energy: -108.010
Base-Backbone interact. energy: -0.101
local terms energy: -205.481753
where:
bonds (distance) C4'-P energy: -55.648
bonds (distance) P-C4' energy: -60.356
flat angles C4'-P-C4' energy: -65.768
flat angles P-C4'-P energy: -30.190
tors. eta vs tors. theta energy: 6.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 412
Temperature: 1.350000
Total energy: -259.285372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.285372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.285372 (E_RNA)
where:
Base-Base interactions energy: -81.866
where: short stacking energy: -71.579
Base-Backbone interact. energy: 1.450
local terms energy: -178.869689
where:
bonds (distance) C4'-P energy: -51.253
bonds (distance) P-C4' energy: -73.015
flat angles C4'-P-C4' energy: -39.390
flat angles P-C4'-P energy: -34.949
tors. eta vs tors. theta energy: 19.737
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 413
Temperature: 0.900000
Total energy: -1095.704221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1095.704221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1095.704221 (E_RNA)
where:
Base-Base interactions energy: -727.759
where: short stacking energy: -327.054
Base-Backbone interact. energy: -0.312
local terms energy: -367.633477
where:
bonds (distance) C4'-P energy: -74.843
bonds (distance) P-C4' energy: -64.627
flat angles C4'-P-C4' energy: -80.595
flat angles P-C4'-P energy: -46.055
tors. eta vs tors. theta energy: -101.514
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 413
Temperature: 0.950000
Total energy: -1014.784407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1014.784407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1014.784407 (E_RNA)
where:
Base-Base interactions energy: -656.731
where: short stacking energy: -303.894
Base-Backbone interact. energy: -1.527
local terms energy: -356.526455
where:
bonds (distance) C4'-P energy: -65.152
bonds (distance) P-C4' energy: -60.656
flat angles C4'-P-C4' energy: -76.165
flat angles P-C4'-P energy: -58.270
tors. eta vs tors. theta energy: -96.283
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: 3, replica: 3
=====================================
Write number: 413
Temperature: 1.000000
Total energy: -927.879571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -927.879571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -927.879571 (E_RNA)
where:
Base-Base interactions energy: -591.516
where: short stacking energy: -263.468
Base-Backbone interact. energy: -1.358
local terms energy: -335.005272
where:
bonds (distance) C4'-P energy: -65.676
bonds (distance) P-C4' energy: -63.229
flat angles C4'-P-C4' energy: -69.046
flat angles P-C4'-P energy: -50.163
tors. eta vs tors. theta energy: -86.891
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 413
Temperature: 1.050000
Total energy: -896.475331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -896.475331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -896.475331 (E_RNA)
where:
Base-Base interactions energy: -579.168
where: short stacking energy: -269.567
Base-Backbone interact. energy: -0.459
local terms energy: -316.848962
where:
bonds (distance) C4'-P energy: -62.805
bonds (distance) P-C4' energy: -62.012
flat angles C4'-P-C4' energy: -61.863
flat angles P-C4'-P energy: -51.207
tors. eta vs tors. theta energy: -78.962
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 413
Temperature: 1.100000
Total energy: -672.785395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -672.785395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -672.785395 (E_RNA)
where:
Base-Base interactions energy: -398.258
where: short stacking energy: -183.753
Base-Backbone interact. energy: -0.507
local terms energy: -274.019673
where:
bonds (distance) C4'-P energy: -72.321
bonds (distance) P-C4' energy: -61.294
flat angles C4'-P-C4' energy: -55.541
flat angles P-C4'-P energy: -38.343
tors. eta vs tors. theta energy: -46.521
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 413
Temperature: 1.150000
Total energy: -569.653947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -569.653947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -569.653947 (E_RNA)
where:
Base-Base interactions energy: -309.073
where: short stacking energy: -148.518
Base-Backbone interact. energy: -0.924
local terms energy: -259.656576
where:
bonds (distance) C4'-P energy: -48.801
bonds (distance) P-C4' energy: -74.272
flat angles C4'-P-C4' energy: -59.257
flat angles P-C4'-P energy: -39.137
tors. eta vs tors. theta energy: -38.190
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 413
Temperature: 1.200000
Total energy: -353.660956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.660956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.660956 (E_RNA)
where:
Base-Base interactions energy: -124.035
where: short stacking energy: -92.510
Base-Backbone interact. energy: -1.743
local terms energy: -227.882347
where:
bonds (distance) C4'-P energy: -55.829
bonds (distance) P-C4' energy: -66.362
flat angles C4'-P-C4' energy: -56.482
flat angles P-C4'-P energy: -42.480
tors. eta vs tors. theta energy: -6.729
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: 8, replica: 10
=====================================
Write number: 413
Temperature: 1.250000
Total energy: -327.662156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.662156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.662156 (E_RNA)
where:
Base-Base interactions energy: -119.913
where: short stacking energy: -107.008
Base-Backbone interact. energy: 2.143
local terms energy: -209.892315
where:
bonds (distance) C4'-P energy: -61.822
bonds (distance) P-C4' energy: -72.689
flat angles C4'-P-C4' energy: -56.999
flat angles P-C4'-P energy: -30.655
tors. eta vs tors. theta energy: 12.273
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: 8
=====================================
Write number: 413
Temperature: 1.300000
Total energy: -300.012513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.012513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.012513 (E_RNA)
where:
Base-Base interactions energy: -99.090
where: short stacking energy: -68.929
Base-Backbone interact. energy: -0.954
local terms energy: -199.968327
where:
bonds (distance) C4'-P energy: -67.013
bonds (distance) P-C4' energy: -58.991
flat angles C4'-P-C4' energy: -38.482
flat angles P-C4'-P energy: -32.162
tors. eta vs tors. theta energy: -3.320
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: 9
=====================================
Write number: 413
Temperature: 1.350000
Total energy: -269.810658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.810658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.810658 (E_RNA)
where:
Base-Base interactions energy: -108.188
where: short stacking energy: -74.128
Base-Backbone interact. energy: -1.714
local terms energy: -159.908122
where:
bonds (distance) C4'-P energy: -57.726
bonds (distance) P-C4' energy: -60.126
flat angles C4'-P-C4' energy: -33.579
flat angles P-C4'-P energy: -25.884
tors. eta vs tors. theta energy: 17.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 414
Temperature: 0.900000
Total energy: -1095.920960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1095.920960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1095.920960 (E_RNA)
where:
Base-Base interactions energy: -728.927
where: short stacking energy: -325.416
Base-Backbone interact. energy: -0.273
local terms energy: -366.721285
where:
bonds (distance) C4'-P energy: -63.784
bonds (distance) P-C4' energy: -66.439
flat angles C4'-P-C4' energy: -78.964
flat angles P-C4'-P energy: -49.402
tors. eta vs tors. theta energy: -108.132
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 414
Temperature: 0.950000
Total energy: -1020.851683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1020.851683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1020.851683 (E_RNA)
where:
Base-Base interactions energy: -669.704
where: short stacking energy: -287.220
Base-Backbone interact. energy: -0.566
local terms energy: -350.581692
where:
bonds (distance) C4'-P energy: -50.734
bonds (distance) P-C4' energy: -77.914
flat angles C4'-P-C4' energy: -77.741
flat angles P-C4'-P energy: -49.809
tors. eta vs tors. theta energy: -94.383
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 414
Temperature: 1.000000
Total energy: -905.050212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -905.050212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -905.050212 (E_RNA)
where:
Base-Base interactions energy: -599.332
where: short stacking energy: -283.475
Base-Backbone interact. energy: 0.637
local terms energy: -306.355363
where:
bonds (distance) C4'-P energy: -56.734
bonds (distance) P-C4' energy: -57.041
flat angles C4'-P-C4' energy: -78.632
flat angles P-C4'-P energy: -40.284
tors. eta vs tors. theta energy: -73.664
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 414
Temperature: 1.050000
Total energy: -890.774470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -890.774470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -890.774470 (E_RNA)
where:
Base-Base interactions energy: -567.527
where: short stacking energy: -266.862
Base-Backbone interact. energy: -0.244
local terms energy: -323.004034
where:
bonds (distance) C4'-P energy: -66.597
bonds (distance) P-C4' energy: -52.791
flat angles C4'-P-C4' energy: -64.228
flat angles P-C4'-P energy: -49.011
tors. eta vs tors. theta energy: -90.377
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 414
Temperature: 1.100000
Total energy: -678.407867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -678.407867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -678.407867 (E_RNA)
where:
Base-Base interactions energy: -392.052
where: short stacking energy: -170.240
Base-Backbone interact. energy: -2.296
local terms energy: -284.060422
where:
bonds (distance) C4'-P energy: -64.842
bonds (distance) P-C4' energy: -70.471
flat angles C4'-P-C4' energy: -65.729
flat angles P-C4'-P energy: -45.156
tors. eta vs tors. theta energy: -37.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 414
Temperature: 1.150000
Total energy: -526.242703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.242703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.242703 (E_RNA)
where:
Base-Base interactions energy: -313.483
where: short stacking energy: -146.614
Base-Backbone interact. energy: -0.999
local terms energy: -211.760434
where:
bonds (distance) C4'-P energy: -50.912
bonds (distance) P-C4' energy: -52.074
flat angles C4'-P-C4' energy: -55.660
flat angles P-C4'-P energy: -32.697
tors. eta vs tors. theta energy: -20.417
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: 2
=====================================
Write number: 414
Temperature: 1.200000
Total energy: -337.131047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.131047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.131047 (E_RNA)
where:
Base-Base interactions energy: -113.948
where: short stacking energy: -105.085
Base-Backbone interact. energy: 0.031
local terms energy: -223.214654
where:
bonds (distance) C4'-P energy: -49.985
bonds (distance) P-C4' energy: -69.592
flat angles C4'-P-C4' energy: -62.746
flat angles P-C4'-P energy: -41.250
tors. eta vs tors. theta energy: 0.358
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 414
Temperature: 1.250000
Total energy: -317.629029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.629029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.629029 (E_RNA)
where:
Base-Base interactions energy: -108.323
where: short stacking energy: -92.353
Base-Backbone interact. energy: -0.907
local terms energy: -208.399654
where:
bonds (distance) C4'-P energy: -50.111
bonds (distance) P-C4' energy: -60.298
flat angles C4'-P-C4' energy: -51.132
flat angles P-C4'-P energy: -41.303
tors. eta vs tors. theta energy: -5.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 414
Temperature: 1.300000
Total energy: -279.784383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.784383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.784383 (E_RNA)
where:
Base-Base interactions energy: -93.450
where: short stacking energy: -72.632
Base-Backbone interact. energy: 0.415
local terms energy: -186.749539
where:
bonds (distance) C4'-P energy: -59.021
bonds (distance) P-C4' energy: -61.291
flat angles C4'-P-C4' energy: -50.933
flat angles P-C4'-P energy: -20.629
tors. eta vs tors. theta energy: 5.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 414
Temperature: 1.350000
Total energy: -268.796806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.796806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.796806 (E_RNA)
where:
Base-Base interactions energy: -78.507
where: short stacking energy: -61.193
Base-Backbone interact. energy: -1.677
local terms energy: -188.612101
where:
bonds (distance) C4'-P energy: -58.045
bonds (distance) P-C4' energy: -63.749
flat angles C4'-P-C4' energy: -56.432
flat angles P-C4'-P energy: -30.202
tors. eta vs tors. theta energy: 19.815
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: 4
=====================================
Write number: 415
Temperature: 0.900000
Total energy: -1102.332263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1102.332263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1102.332263 (E_RNA)
where:
Base-Base interactions energy: -729.528
where: short stacking energy: -339.001
Base-Backbone interact. energy: -0.112
local terms energy: -372.692704
where:
bonds (distance) C4'-P energy: -70.014
bonds (distance) P-C4' energy: -77.532
flat angles C4'-P-C4' energy: -72.712
flat angles P-C4'-P energy: -45.466
tors. eta vs tors. theta energy: -106.969
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: 415
Temperature: 0.950000
Total energy: -1022.455324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1022.455324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1022.455324 (E_RNA)
where:
Base-Base interactions energy: -670.349
where: short stacking energy: -313.344
Base-Backbone interact. energy: 1.883
local terms energy: -353.988991
where:
bonds (distance) C4'-P energy: -70.909
bonds (distance) P-C4' energy: -71.550
flat angles C4'-P-C4' energy: -71.022
flat angles P-C4'-P energy: -40.871
tors. eta vs tors. theta energy: -99.637
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 415
Temperature: 1.000000
Total energy: -930.891815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -930.891815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -930.891815 (E_RNA)
where:
Base-Base interactions energy: -589.477
where: short stacking energy: -268.853
Base-Backbone interact. energy: -0.062
local terms energy: -341.352569
where:
bonds (distance) C4'-P energy: -70.046
bonds (distance) P-C4' energy: -47.499
flat angles C4'-P-C4' energy: -78.989
flat angles P-C4'-P energy: -51.710
tors. eta vs tors. theta energy: -93.109
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: 3
=====================================
Write number: 415
Temperature: 1.050000
Total energy: -860.526979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -860.526979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -860.526979 (E_RNA)
where:
Base-Base interactions energy: -535.929
where: short stacking energy: -232.883
Base-Backbone interact. energy: -1.895
local terms energy: -322.702116
where:
bonds (distance) C4'-P energy: -69.251
bonds (distance) P-C4' energy: -67.522
flat angles C4'-P-C4' energy: -67.783
flat angles P-C4'-P energy: -39.413
tors. eta vs tors. theta energy: -78.732
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: 5, replica: 6
=====================================
Write number: 415
Temperature: 1.100000
Total energy: -682.616971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -682.616971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -682.616971 (E_RNA)
where:
Base-Base interactions energy: -405.822
where: short stacking energy: -201.567
Base-Backbone interact. energy: -1.027
local terms energy: -275.767815
where:
bonds (distance) C4'-P energy: -50.255
bonds (distance) P-C4' energy: -63.705
flat angles C4'-P-C4' energy: -74.799
flat angles P-C4'-P energy: -38.680
tors. eta vs tors. theta energy: -48.330
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 415
Temperature: 1.150000
Total energy: -550.756797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -550.756797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -550.756797 (E_RNA)
where:
Base-Base interactions energy: -317.745
where: short stacking energy: -143.863
Base-Backbone interact. energy: -2.118
local terms energy: -230.893706
where:
bonds (distance) C4'-P energy: -61.928
bonds (distance) P-C4' energy: -60.752
flat angles C4'-P-C4' energy: -42.591
flat angles P-C4'-P energy: -42.968
tors. eta vs tors. theta energy: -22.655
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: 2
=====================================
Write number: 415
Temperature: 1.200000
Total energy: -344.552944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.552944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.552944 (E_RNA)
where:
Base-Base interactions energy: -136.934
where: short stacking energy: -89.230
Base-Backbone interact. energy: 0.552
local terms energy: -208.170957
where:
bonds (distance) C4'-P energy: -60.518
bonds (distance) P-C4' energy: -70.701
flat angles C4'-P-C4' energy: -53.155
flat angles P-C4'-P energy: -26.964
tors. eta vs tors. theta energy: 3.167
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: 8, replica: 9
=====================================
Write number: 415
Temperature: 1.250000
Total energy: -353.075747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.075747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.075747 (E_RNA)
where:
Base-Base interactions energy: -157.900
where: short stacking energy: -108.444
Base-Backbone interact. energy: 1.932
local terms energy: -197.107853
where:
bonds (distance) C4'-P energy: -61.183
bonds (distance) P-C4' energy: -56.030
flat angles C4'-P-C4' energy: -50.592
flat angles P-C4'-P energy: -26.631
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: 9, replica: 10
=====================================
Write number: 415
Temperature: 1.300000
Total energy: -305.594803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.594803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.594803 (E_RNA)
where:
Base-Base interactions energy: -117.343
where: short stacking energy: -77.569
Base-Backbone interact. energy: -0.344
local terms energy: -187.908169
where:
bonds (distance) C4'-P energy: -59.353
bonds (distance) P-C4' energy: -54.960
flat angles C4'-P-C4' energy: -54.783
flat angles P-C4'-P energy: -27.743
tors. eta vs tors. theta energy: 8.930
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 415
Temperature: 1.350000
Total energy: -291.145067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.145067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.145067 (E_RNA)
where:
Base-Base interactions energy: -91.832
where: short stacking energy: -83.361
Base-Backbone interact. energy: 2.843
local terms energy: -202.155546
where:
bonds (distance) C4'-P energy: -57.283
bonds (distance) P-C4' energy: -61.627
flat angles C4'-P-C4' energy: -44.898
flat angles P-C4'-P energy: -38.530
tors. eta vs tors. theta energy: 0.182
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 416
Temperature: 0.900000
Total energy: -1100.737851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1100.737851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1100.737851 (E_RNA)
where:
Base-Base interactions energy: -717.099
where: short stacking energy: -326.944
Base-Backbone interact. energy: -0.473
local terms energy: -383.166211
where:
bonds (distance) C4'-P energy: -68.391
bonds (distance) P-C4' energy: -78.591
flat angles C4'-P-C4' energy: -75.214
flat angles P-C4'-P energy: -58.976
tors. eta vs tors. theta energy: -101.995
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 416
Temperature: 0.950000
Total energy: -1023.683263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1023.683263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1023.683263 (E_RNA)
where:
Base-Base interactions energy: -668.796
where: short stacking energy: -291.933
Base-Backbone interact. energy: 0.304
local terms energy: -355.191090
where:
bonds (distance) C4'-P energy: -55.804
bonds (distance) P-C4' energy: -68.007
flat angles C4'-P-C4' energy: -81.893
flat angles P-C4'-P energy: -51.740
tors. eta vs tors. theta energy: -97.746
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 416
Temperature: 1.000000
Total energy: -922.997497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -922.997497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -922.997497 (E_RNA)
where:
Base-Base interactions energy: -579.871
where: short stacking energy: -262.700
Base-Backbone interact. energy: -0.774
local terms energy: -342.352312
where:
bonds (distance) C4'-P energy: -71.965
bonds (distance) P-C4' energy: -67.469
flat angles C4'-P-C4' energy: -69.955
flat angles P-C4'-P energy: -48.121
tors. eta vs tors. theta energy: -84.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 416
Temperature: 1.050000
Total energy: -856.343000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -856.343000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -856.343000 (E_RNA)
where:
Base-Base interactions energy: -546.730
where: short stacking energy: -268.068
Base-Backbone interact. energy: 0.216
local terms energy: -309.828749
where:
bonds (distance) C4'-P energy: -53.433
bonds (distance) P-C4' energy: -68.665
flat angles C4'-P-C4' energy: -64.206
flat angles P-C4'-P energy: -40.193
tors. eta vs tors. theta energy: -83.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 416
Temperature: 1.100000
Total energy: -714.896609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -714.896609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -714.896609 (E_RNA)
where:
Base-Base interactions energy: -426.128
where: short stacking energy: -197.627
Base-Backbone interact. energy: -0.060
local terms energy: -288.709249
where:
bonds (distance) C4'-P energy: -54.176
bonds (distance) P-C4' energy: -61.827
flat angles C4'-P-C4' energy: -70.619
flat angles P-C4'-P energy: -53.808
tors. eta vs tors. theta energy: -48.279
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: 7
=====================================
Write number: 416
Temperature: 1.150000
Total energy: -574.547477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -574.547477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -574.547477 (E_RNA)
where:
Base-Base interactions energy: -331.080
where: short stacking energy: -154.423
Base-Backbone interact. energy: 0.938
local terms energy: -244.405637
where:
bonds (distance) C4'-P energy: -59.092
bonds (distance) P-C4' energy: -60.493
flat angles C4'-P-C4' energy: -58.345
flat angles P-C4'-P energy: -41.228
tors. eta vs tors. theta energy: -25.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 416
Temperature: 1.200000
Total energy: -364.512241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.512241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.512241 (E_RNA)
where:
Base-Base interactions energy: -136.313
where: short stacking energy: -105.607
Base-Backbone interact. energy: 1.083
local terms energy: -229.281947
where:
bonds (distance) C4'-P energy: -61.532
bonds (distance) P-C4' energy: -64.020
flat angles C4'-P-C4' energy: -60.560
flat angles P-C4'-P energy: -32.603
tors. eta vs tors. theta energy: -10.568
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: 2
=====================================
Write number: 416
Temperature: 1.250000
Total energy: -315.866512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.866512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.866512 (E_RNA)
where:
Base-Base interactions energy: -127.480
where: short stacking energy: -92.918
Base-Backbone interact. energy: 3.551
local terms energy: -191.937403
where:
bonds (distance) C4'-P energy: -61.038
bonds (distance) P-C4' energy: -64.445
flat angles C4'-P-C4' energy: -44.279
flat angles P-C4'-P energy: -32.685
tors. eta vs tors. theta energy: 10.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 416
Temperature: 1.300000
Total energy: -296.641851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.641851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.641851 (E_RNA)
where:
Base-Base interactions energy: -102.965
where: short stacking energy: -78.735
Base-Backbone interact. energy: -0.116
local terms energy: -193.560481
where:
bonds (distance) C4'-P energy: -46.851
bonds (distance) P-C4' energy: -72.321
flat angles C4'-P-C4' energy: -39.490
flat angles P-C4'-P energy: -31.746
tors. eta vs tors. theta energy: -3.152
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: 10
=====================================
Write number: 416
Temperature: 1.350000
Total energy: -257.882825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.882825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.882825 (E_RNA)
where:
Base-Base interactions energy: -82.267
where: short stacking energy: -70.001
Base-Backbone interact. energy: -0.309
local terms energy: -175.306890
where:
bonds (distance) C4'-P energy: -59.017
bonds (distance) P-C4' energy: -55.625
flat angles C4'-P-C4' energy: -46.192
flat angles P-C4'-P energy: -31.630
tors. eta vs tors. theta energy: 17.157
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: 4
=====================================
Write number: 417
Temperature: 0.900000
Total energy: -1118.249405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1118.249405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1118.249405 (E_RNA)
where:
Base-Base interactions energy: -741.529
where: short stacking energy: -322.407
Base-Backbone interact. energy: -0.205
local terms energy: -376.515989
where:
bonds (distance) C4'-P energy: -69.987
bonds (distance) P-C4' energy: -66.452
flat angles C4'-P-C4' energy: -86.589
flat angles P-C4'-P energy: -48.470
tors. eta vs tors. theta energy: -105.017
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: 1
=====================================
Write number: 417
Temperature: 0.950000
Total energy: -1053.256966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1053.256966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1053.256966 (E_RNA)
where:
Base-Base interactions energy: -696.550
where: short stacking energy: -327.873
Base-Backbone interact. energy: 0.611
local terms energy: -357.318842
where:
bonds (distance) C4'-P energy: -54.077
bonds (distance) P-C4' energy: -77.695
flat angles C4'-P-C4' energy: -81.662
flat angles P-C4'-P energy: -42.654
tors. eta vs tors. theta energy: -101.231
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: 5
=====================================
Write number: 417
Temperature: 1.000000
Total energy: -906.014227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -906.014227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -906.014227 (E_RNA)
where:
Base-Base interactions energy: -575.280
where: short stacking energy: -275.019
Base-Backbone interact. energy: -1.719
local terms energy: -329.014524
where:
bonds (distance) C4'-P energy: -66.327
bonds (distance) P-C4' energy: -66.185
flat angles C4'-P-C4' energy: -81.029
flat angles P-C4'-P energy: -40.838
tors. eta vs tors. theta energy: -74.635
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 417
Temperature: 1.050000
Total energy: -831.813272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -831.813272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -831.813272 (E_RNA)
where:
Base-Base interactions energy: -527.834
where: short stacking energy: -251.086
Base-Backbone interact. energy: -0.860
local terms energy: -303.118960
where:
bonds (distance) C4'-P energy: -69.819
bonds (distance) P-C4' energy: -65.567
flat angles C4'-P-C4' energy: -62.171
flat angles P-C4'-P energy: -38.210
tors. eta vs tors. theta energy: -67.351
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 417
Temperature: 1.100000
Total energy: -684.598183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -684.598183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -684.598183 (E_RNA)
where:
Base-Base interactions energy: -401.935
where: short stacking energy: -213.218
Base-Backbone interact. energy: -0.455
local terms energy: -282.208239
where:
bonds (distance) C4'-P energy: -60.758
bonds (distance) P-C4' energy: -61.197
flat angles C4'-P-C4' energy: -63.524
flat angles P-C4'-P energy: -43.694
tors. eta vs tors. theta energy: -53.034
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: 7
=====================================
Write number: 417
Temperature: 1.150000
Total energy: -514.203291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.203291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.203291 (E_RNA)
where:
Base-Base interactions energy: -291.781
where: short stacking energy: -149.376
Base-Backbone interact. energy: -0.651
local terms energy: -221.771685
where:
bonds (distance) C4'-P energy: -59.699
bonds (distance) P-C4' energy: -63.137
flat angles C4'-P-C4' energy: -52.864
flat angles P-C4'-P energy: -34.443
tors. eta vs tors. theta energy: -11.629
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: 9
=====================================
Write number: 417
Temperature: 1.200000
Total energy: -365.309687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.309687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.309687 (E_RNA)
where:
Base-Base interactions energy: -153.770
where: short stacking energy: -95.895
Base-Backbone interact. energy: 1.404
local terms energy: -212.943524
where:
bonds (distance) C4'-P energy: -62.059
bonds (distance) P-C4' energy: -58.007
flat angles C4'-P-C4' energy: -56.356
flat angles P-C4'-P energy: -42.370
tors. eta vs tors. theta energy: 5.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 417
Temperature: 1.250000
Total energy: -364.954358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.954358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.954358 (E_RNA)
where:
Base-Base interactions energy: -163.463
where: short stacking energy: -83.926
Base-Backbone interact. energy: -1.975
local terms energy: -199.516421
where:
bonds (distance) C4'-P energy: -48.993
bonds (distance) P-C4' energy: -63.979
flat angles C4'-P-C4' energy: -52.493
flat angles P-C4'-P energy: -38.803
tors. eta vs tors. theta energy: 4.752
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: 8
=====================================
Write number: 417
Temperature: 1.300000
Total energy: -292.240183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.240183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.240183 (E_RNA)
where:
Base-Base interactions energy: -92.833
where: short stacking energy: -65.551
Base-Backbone interact. energy: -0.832
local terms energy: -198.574794
where:
bonds (distance) C4'-P energy: -55.485
bonds (distance) P-C4' energy: -59.341
flat angles C4'-P-C4' energy: -50.183
flat angles P-C4'-P energy: -45.997
tors. eta vs tors. theta energy: 12.431
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: 10
=====================================
Write number: 417
Temperature: 1.350000
Total energy: -290.508930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.508930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.508930 (E_RNA)
where:
Base-Base interactions energy: -96.781
where: short stacking energy: -74.673
Base-Backbone interact. energy: 2.923
local terms energy: -196.650885
where:
bonds (distance) C4'-P energy: -54.145
bonds (distance) P-C4' energy: -64.004
flat angles C4'-P-C4' energy: -52.465
flat angles P-C4'-P energy: -28.051
tors. eta vs tors. theta energy: 2.014
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: 1
=====================================
Write number: 418
Temperature: 0.900000
Total energy: -1093.595127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1093.595127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1093.595127 (E_RNA)
where:
Base-Base interactions energy: -720.571
where: short stacking energy: -337.746
Base-Backbone interact. energy: -1.223
local terms energy: -371.800565
where:
bonds (distance) C4'-P energy: -67.579
bonds (distance) P-C4' energy: -72.308
flat angles C4'-P-C4' energy: -82.169
flat angles P-C4'-P energy: -46.574
tors. eta vs tors. theta energy: -103.170
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 418
Temperature: 0.950000
Total energy: -1059.276514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1059.276514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1059.276514 (E_RNA)
where:
Base-Base interactions energy: -702.858
where: short stacking energy: -306.237
Base-Backbone interact. energy: 0.434
local terms energy: -356.852599
where:
bonds (distance) C4'-P energy: -68.025
bonds (distance) P-C4' energy: -60.220
flat angles C4'-P-C4' energy: -79.937
flat angles P-C4'-P energy: -49.082
tors. eta vs tors. theta energy: -99.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 418
Temperature: 1.000000
Total energy: -921.589185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -921.589185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -921.589185 (E_RNA)
where:
Base-Base interactions energy: -579.123
where: short stacking energy: -251.493
Base-Backbone interact. energy: -0.435
local terms energy: -342.030638
where:
bonds (distance) C4'-P energy: -61.102
bonds (distance) P-C4' energy: -67.918
flat angles C4'-P-C4' energy: -61.735
flat angles P-C4'-P energy: -57.851
tors. eta vs tors. theta energy: -93.425
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: 4, replica: 3
=====================================
Write number: 418
Temperature: 1.050000
Total energy: -800.846562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -800.846562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -800.846562 (E_RNA)
where:
Base-Base interactions energy: -488.798
where: short stacking energy: -238.653
Base-Backbone interact. energy: -0.315
local terms energy: -311.733635
where:
bonds (distance) C4'-P energy: -64.186
bonds (distance) P-C4' energy: -69.114
flat angles C4'-P-C4' energy: -67.839
flat angles P-C4'-P energy: -39.271
tors. eta vs tors. theta energy: -71.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 418
Temperature: 1.100000
Total energy: -727.708564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -727.708564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -727.708564 (E_RNA)
where:
Base-Base interactions energy: -447.203
where: short stacking energy: -208.722
Base-Backbone interact. energy: -1.100
local terms energy: -279.405414
where:
bonds (distance) C4'-P energy: -49.553
bonds (distance) P-C4' energy: -72.731
flat angles C4'-P-C4' energy: -55.314
flat angles P-C4'-P energy: -48.575
tors. eta vs tors. theta energy: -53.233
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 418
Temperature: 1.150000
Total energy: -495.517300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.517300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.517300 (E_RNA)
where:
Base-Base interactions energy: -269.584
where: short stacking energy: -147.156
Base-Backbone interact. energy: -1.768
local terms energy: -224.164795
where:
bonds (distance) C4'-P energy: -59.938
bonds (distance) P-C4' energy: -61.120
flat angles C4'-P-C4' energy: -49.047
flat angles P-C4'-P energy: -35.789
tors. eta vs tors. theta energy: -18.271
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: 2
=====================================
Write number: 418
Temperature: 1.200000
Total energy: -409.931485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -409.931485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -409.931485 (E_RNA)
where:
Base-Base interactions energy: -201.686
where: short stacking energy: -112.972
Base-Backbone interact. energy: 0.541
local terms energy: -208.786734
where:
bonds (distance) C4'-P energy: -61.517
bonds (distance) P-C4' energy: -57.300
flat angles C4'-P-C4' energy: -57.544
flat angles P-C4'-P energy: -31.240
tors. eta vs tors. theta energy: -1.186
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: 8, replica: 9
=====================================
Write number: 418
Temperature: 1.250000
Total energy: -331.740120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.740120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.740120 (E_RNA)
where:
Base-Base interactions energy: -131.415
where: short stacking energy: -111.756
Base-Backbone interact. energy: -0.399
local terms energy: -199.925293
where:
bonds (distance) C4'-P energy: -48.185
bonds (distance) P-C4' energy: -58.356
flat angles C4'-P-C4' energy: -41.123
flat angles P-C4'-P energy: -37.957
tors. eta vs tors. theta energy: -14.304
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: 418
Temperature: 1.300000
Total energy: -297.423063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.423063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.423063 (E_RNA)
where:
Base-Base interactions energy: -102.481
where: short stacking energy: -78.049
Base-Backbone interact. energy: -1.035
local terms energy: -193.906837
where:
bonds (distance) C4'-P energy: -62.426
bonds (distance) P-C4' energy: -59.035
flat angles C4'-P-C4' energy: -50.138
flat angles P-C4'-P energy: -31.933
tors. eta vs tors. theta energy: 9.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 418
Temperature: 1.350000
Total energy: -261.347784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.347784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.347784 (E_RNA)
where:
Base-Base interactions energy: -75.275
where: short stacking energy: -60.840
Base-Backbone interact. energy: 4.054
local terms energy: -190.127058
where:
bonds (distance) C4'-P energy: -57.226
bonds (distance) P-C4' energy: -53.055
flat angles C4'-P-C4' energy: -55.718
flat angles P-C4'-P energy: -40.449
tors. eta vs tors. theta energy: 16.320
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: 1
=====================================
Write number: 419
Temperature: 0.900000
Total energy: -1054.753992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1054.753992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1054.753992 (E_RNA)
where:
Base-Base interactions energy: -691.485
where: short stacking energy: -337.562
Base-Backbone interact. energy: -1.437
local terms energy: -361.832594
where:
bonds (distance) C4'-P energy: -61.605
bonds (distance) P-C4' energy: -63.372
flat angles C4'-P-C4' energy: -85.478
flat angles P-C4'-P energy: -48.193
tors. eta vs tors. theta energy: -103.184
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: 4
=====================================
Write number: 419
Temperature: 0.950000
Total energy: -1045.480355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1045.480355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1045.480355 (E_RNA)
where:
Base-Base interactions energy: -694.271
where: short stacking energy: -325.390
Base-Backbone interact. energy: -0.353
local terms energy: -350.856582
where:
bonds (distance) C4'-P energy: -66.237
bonds (distance) P-C4' energy: -60.818
flat angles C4'-P-C4' energy: -71.123
flat angles P-C4'-P energy: -44.264
tors. eta vs tors. theta energy: -108.415
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 419
Temperature: 1.000000
Total energy: -897.154729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -897.154729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -897.154729 (E_RNA)
where:
Base-Base interactions energy: -582.406
where: short stacking energy: -269.401
Base-Backbone interact. energy: 1.631
local terms energy: -316.380113
where:
bonds (distance) C4'-P energy: -56.088
bonds (distance) P-C4' energy: -75.401
flat angles C4'-P-C4' energy: -71.084
flat angles P-C4'-P energy: -41.417
tors. eta vs tors. theta energy: -72.390
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 419
Temperature: 1.050000
Total energy: -811.845582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -811.845582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -811.845582 (E_RNA)
where:
Base-Base interactions energy: -506.105
where: short stacking energy: -242.423
Base-Backbone interact. energy: 2.149
local terms energy: -307.889601
where:
bonds (distance) C4'-P energy: -68.089
bonds (distance) P-C4' energy: -56.328
flat angles C4'-P-C4' energy: -75.361
flat angles P-C4'-P energy: -39.314
tors. eta vs tors. theta energy: -68.798
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 419
Temperature: 1.100000
Total energy: -716.932593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -716.932593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -716.932593 (E_RNA)
where:
Base-Base interactions energy: -453.433
where: short stacking energy: -191.438
Base-Backbone interact. energy: -1.510
local terms energy: -261.989670
where:
bonds (distance) C4'-P energy: -48.305
bonds (distance) P-C4' energy: -66.313
flat angles C4'-P-C4' energy: -65.843
flat angles P-C4'-P energy: -38.902
tors. eta vs tors. theta energy: -42.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 419
Temperature: 1.150000
Total energy: -521.275286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.275286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.275286 (E_RNA)
where:
Base-Base interactions energy: -276.175
where: short stacking energy: -126.200
Base-Backbone interact. energy: -1.266
local terms energy: -243.833550
where:
bonds (distance) C4'-P energy: -62.847
bonds (distance) P-C4' energy: -65.371
flat angles C4'-P-C4' energy: -66.983
flat angles P-C4'-P energy: -33.763
tors. eta vs tors. theta energy: -14.869
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 419
Temperature: 1.200000
Total energy: -404.083076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -404.083076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -404.083076 (E_RNA)
where:
Base-Base interactions energy: -196.532
where: short stacking energy: -88.381
Base-Backbone interact. energy: -1.620
local terms energy: -205.931481
where:
bonds (distance) C4'-P energy: -52.391
bonds (distance) P-C4' energy: -60.073
flat angles C4'-P-C4' energy: -58.740
flat angles P-C4'-P energy: -38.785
tors. eta vs tors. theta energy: 4.057
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: 10
=====================================
Write number: 419
Temperature: 1.250000
Total energy: -310.434170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.434170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.434170 (E_RNA)
where:
Base-Base interactions energy: -102.700
where: short stacking energy: -71.735
Base-Backbone interact. energy: -1.704
local terms energy: -206.031038
where:
bonds (distance) C4'-P energy: -60.335
bonds (distance) P-C4' energy: -63.816
flat angles C4'-P-C4' energy: -53.491
flat angles P-C4'-P energy: -40.572
tors. eta vs tors. theta energy: 12.183
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 419
Temperature: 1.300000
Total energy: -283.295793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.295793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.295793 (E_RNA)
where:
Base-Base interactions energy: -84.153
where: short stacking energy: -78.335
Base-Backbone interact. energy: 2.696
local terms energy: -201.839203
where:
bonds (distance) C4'-P energy: -61.894
bonds (distance) P-C4' energy: -45.709
flat angles C4'-P-C4' energy: -54.275
flat angles P-C4'-P energy: -43.470
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: 8
=====================================
Write number: 419
Temperature: 1.350000
Total energy: -271.501672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.501672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.501672 (E_RNA)
where:
Base-Base interactions energy: -86.324
where: short stacking energy: -52.906
Base-Backbone interact. energy: -1.307
local terms energy: -183.870107
where:
bonds (distance) C4'-P energy: -59.196
bonds (distance) P-C4' energy: -64.917
flat angles C4'-P-C4' energy: -57.529
flat angles P-C4'-P energy: -23.271
tors. eta vs tors. theta energy: 21.043
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: 420
Temperature: 0.900000
Total energy: -1065.042943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1065.042943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1065.042943 (E_RNA)
where:
Base-Base interactions energy: -689.185
where: short stacking energy: -334.697
Base-Backbone interact. energy: -0.837
local terms energy: -375.021290
where:
bonds (distance) C4'-P energy: -62.422
bonds (distance) P-C4' energy: -72.604
flat angles C4'-P-C4' energy: -81.810
flat angles P-C4'-P energy: -58.737
tors. eta vs tors. theta energy: -99.447
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: 2, replica: 4
=====================================
Write number: 420
Temperature: 0.950000
Total energy: -1020.139499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1020.139499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1020.139499 (E_RNA)
where:
Base-Base interactions energy: -665.534
where: short stacking energy: -297.750
Base-Backbone interact. energy: -0.604
local terms energy: -354.001242
where:
bonds (distance) C4'-P energy: -73.193
bonds (distance) P-C4' energy: -61.324
flat angles C4'-P-C4' energy: -69.292
flat angles P-C4'-P energy: -48.212
tors. eta vs tors. theta energy: -101.981
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: 5
=====================================
Write number: 420
Temperature: 1.000000
Total energy: -893.193566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -893.193566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -893.193566 (E_RNA)
where:
Base-Base interactions energy: -580.800
where: short stacking energy: -258.702
Base-Backbone interact. energy: 1.005
local terms energy: -313.398242
where:
bonds (distance) C4'-P energy: -63.715
bonds (distance) P-C4' energy: -67.335
flat angles C4'-P-C4' energy: -68.296
flat angles P-C4'-P energy: -44.959
tors. eta vs tors. theta energy: -69.094
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: 420
Temperature: 1.050000
Total energy: -808.787345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -808.787345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -808.787345 (E_RNA)
where:
Base-Base interactions energy: -494.064
where: short stacking energy: -241.989
Base-Backbone interact. energy: -0.352
local terms energy: -314.371760
where:
bonds (distance) C4'-P energy: -60.154
bonds (distance) P-C4' energy: -66.186
flat angles C4'-P-C4' energy: -71.004
flat angles P-C4'-P energy: -47.375
tors. eta vs tors. theta energy: -69.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 420
Temperature: 1.100000
Total energy: -693.185980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -693.185980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -693.185980 (E_RNA)
where:
Base-Base interactions energy: -422.108
where: short stacking energy: -207.734
Base-Backbone interact. energy: -0.406
local terms energy: -270.671944
where:
bonds (distance) C4'-P energy: -52.055
bonds (distance) P-C4' energy: -64.967
flat angles C4'-P-C4' energy: -61.303
flat angles P-C4'-P energy: -43.149
tors. eta vs tors. theta energy: -49.198
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 420
Temperature: 1.150000
Total energy: -524.762189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.762189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.762189 (E_RNA)
where:
Base-Base interactions energy: -269.495
where: short stacking energy: -147.130
Base-Backbone interact. energy: -3.072
local terms energy: -252.195124
where:
bonds (distance) C4'-P energy: -63.999
bonds (distance) P-C4' energy: -69.312
flat angles C4'-P-C4' energy: -65.978
flat angles P-C4'-P energy: -35.803
tors. eta vs tors. theta energy: -17.102
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 420
Temperature: 1.200000
Total energy: -335.170251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.170251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.170251 (E_RNA)
where:
Base-Base interactions energy: -116.106
where: short stacking energy: -108.904
Base-Backbone interact. energy: -1.894
local terms energy: -217.169814
where:
bonds (distance) C4'-P energy: -56.841
bonds (distance) P-C4' energy: -54.022
flat angles C4'-P-C4' energy: -61.932
flat angles P-C4'-P energy: -38.633
tors. eta vs tors. theta energy: -5.742
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: 2
=====================================
Write number: 420
Temperature: 1.250000
Total energy: -324.782451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.782451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.782451 (E_RNA)
where:
Base-Base interactions energy: -122.480
where: short stacking energy: -71.820
Base-Backbone interact. energy: 0.288
local terms energy: -202.590795
where:
bonds (distance) C4'-P energy: -47.860
bonds (distance) P-C4' energy: -71.816
flat angles C4'-P-C4' energy: -60.982
flat angles P-C4'-P energy: -27.181
tors. eta vs tors. theta energy: 5.247
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: 8
=====================================
Write number: 420
Temperature: 1.300000
Total energy: -333.623634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.623634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.623634 (E_RNA)
where:
Base-Base interactions energy: -151.065
where: short stacking energy: -98.684
Base-Backbone interact. energy: -1.056
local terms energy: -181.502928
where:
bonds (distance) C4'-P energy: -42.305
bonds (distance) P-C4' energy: -74.581
flat angles C4'-P-C4' energy: -42.443
flat angles P-C4'-P energy: -34.262
tors. eta vs tors. theta energy: 12.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 420
Temperature: 1.350000
Total energy: -278.782661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.782661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.782661 (E_RNA)
where:
Base-Base interactions energy: -109.394
where: short stacking energy: -71.401
Base-Backbone interact. energy: 0.591
local terms energy: -169.979935
where:
bonds (distance) C4'-P energy: -54.560
bonds (distance) P-C4' energy: -57.113
flat angles C4'-P-C4' energy: -49.380
flat angles P-C4'-P energy: -11.212
tors. eta vs tors. theta energy: 2.286
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 421
Temperature: 0.900000
Total energy: -1077.516903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1077.516903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1077.516903 (E_RNA)
where:
Base-Base interactions energy: -712.874
where: short stacking energy: -337.385
Base-Backbone interact. energy: -1.129
local terms energy: -363.513836
where:
bonds (distance) C4'-P energy: -56.267
bonds (distance) P-C4' energy: -64.363
flat angles C4'-P-C4' energy: -81.380
flat angles P-C4'-P energy: -48.956
tors. eta vs tors. theta energy: -112.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 421
Temperature: 0.950000
Total energy: -1005.955149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1005.955149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1005.955149 (E_RNA)
where:
Base-Base interactions energy: -647.995
where: short stacking energy: -292.768
Base-Backbone interact. energy: 0.289
local terms energy: -358.249721
where:
bonds (distance) C4'-P energy: -68.543
bonds (distance) P-C4' energy: -77.421
flat angles C4'-P-C4' energy: -68.114
flat angles P-C4'-P energy: -50.349
tors. eta vs tors. theta energy: -93.822
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: 5
=====================================
Write number: 421
Temperature: 1.000000
Total energy: -915.423739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -915.423739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -915.423739 (E_RNA)
where:
Base-Base interactions energy: -589.002
where: short stacking energy: -279.059
Base-Backbone interact. energy: -1.159
local terms energy: -325.263347
where:
bonds (distance) C4'-P energy: -66.301
bonds (distance) P-C4' energy: -61.649
flat angles C4'-P-C4' energy: -72.159
flat angles P-C4'-P energy: -44.663
tors. eta vs tors. theta energy: -80.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 421
Temperature: 1.050000
Total energy: -803.897504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -803.897504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -803.897504 (E_RNA)
where:
Base-Base interactions energy: -487.058
where: short stacking energy: -208.689
Base-Backbone interact. energy: -1.210
local terms energy: -315.628989
where:
bonds (distance) C4'-P energy: -72.606
bonds (distance) P-C4' energy: -70.048
flat angles C4'-P-C4' energy: -66.989
flat angles P-C4'-P energy: -44.367
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: 6
=====================================
Write number: 421
Temperature: 1.100000
Total energy: -665.760183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -665.760183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -665.760183 (E_RNA)
where:
Base-Base interactions energy: -396.883
where: short stacking energy: -188.886
Base-Backbone interact. energy: -0.097
local terms energy: -268.780276
where:
bonds (distance) C4'-P energy: -57.172
bonds (distance) P-C4' energy: -67.133
flat angles C4'-P-C4' energy: -62.615
flat angles P-C4'-P energy: -32.101
tors. eta vs tors. theta energy: -49.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 421
Temperature: 1.150000
Total energy: -543.796801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.796801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.796801 (E_RNA)
where:
Base-Base interactions energy: -299.951
where: short stacking energy: -137.883
Base-Backbone interact. energy: 1.267
local terms energy: -245.112310
where:
bonds (distance) C4'-P energy: -61.394
bonds (distance) P-C4' energy: -59.745
flat angles C4'-P-C4' energy: -64.857
flat angles P-C4'-P energy: -42.038
tors. eta vs tors. theta energy: -17.079
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: 421
Temperature: 1.200000
Total energy: -358.826563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.826563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.826563 (E_RNA)
where:
Base-Base interactions energy: -140.625
where: short stacking energy: -102.522
Base-Backbone interact. energy: 2.670
local terms energy: -220.871118
where:
bonds (distance) C4'-P energy: -60.225
bonds (distance) P-C4' energy: -73.677
flat angles C4'-P-C4' energy: -51.742
flat angles P-C4'-P energy: -34.940
tors. eta vs tors. theta energy: -0.287
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: 2
=====================================
Write number: 421
Temperature: 1.250000
Total energy: -329.700139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.700139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.700139 (E_RNA)
where:
Base-Base interactions energy: -107.696
where: short stacking energy: -78.416
Base-Backbone interact. energy: -0.262
local terms energy: -221.742529
where:
bonds (distance) C4'-P energy: -67.648
bonds (distance) P-C4' energy: -67.112
flat angles C4'-P-C4' energy: -48.924
flat angles P-C4'-P energy: -39.036
tors. eta vs tors. theta energy: 0.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 421
Temperature: 1.300000
Total energy: -303.035507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.035507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.035507 (E_RNA)
where:
Base-Base interactions energy: -79.531
where: short stacking energy: -73.403
Base-Backbone interact. energy: 2.521
local terms energy: -226.024688
where:
bonds (distance) C4'-P energy: -70.102
bonds (distance) P-C4' energy: -63.465
flat angles C4'-P-C4' energy: -61.696
flat angles P-C4'-P energy: -31.469
tors. eta vs tors. theta energy: 0.708
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: 10, replica: 9
=====================================
Write number: 421
Temperature: 1.350000
Total energy: -281.730608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.730608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.730608 (E_RNA)
where:
Base-Base interactions energy: -111.740
where: short stacking energy: -85.260
Base-Backbone interact. energy: -0.456
local terms energy: -169.534607
where:
bonds (distance) C4'-P energy: -46.230
bonds (distance) P-C4' energy: -57.872
flat angles C4'-P-C4' energy: -47.965
flat angles P-C4'-P energy: -26.319
tors. eta vs tors. theta energy: 8.851
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 422
Temperature: 0.900000
Total energy: -1053.298791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1053.298791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1053.298791 (E_RNA)
where:
Base-Base interactions energy: -684.549
where: short stacking energy: -310.290
Base-Backbone interact. energy: 1.970
local terms energy: -370.720129
where:
bonds (distance) C4'-P energy: -74.874
bonds (distance) P-C4' energy: -62.976
flat angles C4'-P-C4' energy: -85.517
flat angles P-C4'-P energy: -51.236
tors. eta vs tors. theta energy: -96.117
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 422
Temperature: 0.950000
Total energy: -1013.997318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1013.997318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1013.997318 (E_RNA)
where:
Base-Base interactions energy: -646.509
where: short stacking energy: -299.647
Base-Backbone interact. energy: -1.292
local terms energy: -366.196299
where:
bonds (distance) C4'-P energy: -61.670
bonds (distance) P-C4' energy: -64.352
flat angles C4'-P-C4' energy: -83.220
flat angles P-C4'-P energy: -61.214
tors. eta vs tors. theta energy: -95.740
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 422
Temperature: 1.000000
Total energy: -924.054399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -924.054399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -924.054399 (E_RNA)
where:
Base-Base interactions energy: -588.769
where: short stacking energy: -282.308
Base-Backbone interact. energy: -1.553
local terms energy: -333.732392
where:
bonds (distance) C4'-P energy: -58.781
bonds (distance) P-C4' energy: -70.343
flat angles C4'-P-C4' energy: -70.487
flat angles P-C4'-P energy: -45.615
tors. eta vs tors. theta energy: -88.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 422
Temperature: 1.050000
Total energy: -810.275198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -810.275198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -810.275198 (E_RNA)
where:
Base-Base interactions energy: -522.442
where: short stacking energy: -249.487
Base-Backbone interact. energy: 1.097
local terms energy: -288.930391
where:
bonds (distance) C4'-P energy: -62.608
bonds (distance) P-C4' energy: -50.931
flat angles C4'-P-C4' energy: -66.145
flat angles P-C4'-P energy: -42.792
tors. eta vs tors. theta energy: -66.454
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: 6
=====================================
Write number: 422
Temperature: 1.100000
Total energy: -659.826218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -659.826218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -659.826218 (E_RNA)
where:
Base-Base interactions energy: -387.478
where: short stacking energy: -186.206
Base-Backbone interact. energy: -0.866
local terms energy: -271.481921
where:
bonds (distance) C4'-P energy: -57.587
bonds (distance) P-C4' energy: -57.551
flat angles C4'-P-C4' energy: -64.626
flat angles P-C4'-P energy: -42.583
tors. eta vs tors. theta energy: -49.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 422
Temperature: 1.150000
Total energy: -537.452153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.452153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.452153 (E_RNA)
where:
Base-Base interactions energy: -304.904
where: short stacking energy: -164.126
Base-Backbone interact. energy: -1.677
local terms energy: -230.871032
where:
bonds (distance) C4'-P energy: -51.222
bonds (distance) P-C4' energy: -61.691
flat angles C4'-P-C4' energy: -70.824
flat angles P-C4'-P energy: -30.749
tors. eta vs tors. theta energy: -16.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 422
Temperature: 1.200000
Total energy: -380.201420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -380.201420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -380.201420 (E_RNA)
where:
Base-Base interactions energy: -169.877
where: short stacking energy: -108.612
Base-Backbone interact. energy: -3.205
local terms energy: -207.118976
where:
bonds (distance) C4'-P energy: -52.530
bonds (distance) P-C4' energy: -68.518
flat angles C4'-P-C4' energy: -49.895
flat angles P-C4'-P energy: -41.030
tors. eta vs tors. theta energy: 4.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 422
Temperature: 1.250000
Total energy: -333.145834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.145834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.145834 (E_RNA)
where:
Base-Base interactions energy: -128.085
where: short stacking energy: -86.203
Base-Backbone interact. energy: -0.627
local terms energy: -204.433753
where:
bonds (distance) C4'-P energy: -50.582
bonds (distance) P-C4' energy: -76.214
flat angles C4'-P-C4' energy: -49.798
flat angles P-C4'-P energy: -26.527
tors. eta vs tors. theta energy: -1.313
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: 9
=====================================
Write number: 422
Temperature: 1.300000
Total energy: -280.330800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.330800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.330800 (E_RNA)
where:
Base-Base interactions energy: -84.146
where: short stacking energy: -71.215
Base-Backbone interact. energy: 6.978
local terms energy: -203.162421
where:
bonds (distance) C4'-P energy: -61.096
bonds (distance) P-C4' energy: -68.396
flat angles C4'-P-C4' energy: -49.499
flat angles P-C4'-P energy: -26.497
tors. eta vs tors. theta energy: 2.326
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 422
Temperature: 1.350000
Total energy: -286.405190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.405190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.405190 (E_RNA)
where:
Base-Base interactions energy: -108.278
where: short stacking energy: -82.830
Base-Backbone interact. energy: -1.382
local terms energy: -176.745351
where:
bonds (distance) C4'-P energy: -36.734
bonds (distance) P-C4' energy: -68.024
flat angles C4'-P-C4' energy: -47.939
flat angles P-C4'-P energy: -29.789
tors. eta vs tors. theta energy: 5.740
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 423
Temperature: 0.900000
Total energy: -1088.624704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1088.624704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1088.624704 (E_RNA)
where:
Base-Base interactions energy: -713.209
where: short stacking energy: -329.862
Base-Backbone interact. energy: -1.330
local terms energy: -374.085155
where:
bonds (distance) C4'-P energy: -63.593
bonds (distance) P-C4' energy: -75.778
flat angles C4'-P-C4' energy: -77.306
flat angles P-C4'-P energy: -47.792
tors. eta vs tors. theta energy: -109.616
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 423
Temperature: 0.950000
Total energy: -1015.420767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1015.420767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1015.420767 (E_RNA)
where:
Base-Base interactions energy: -654.687
where: short stacking energy: -294.918
Base-Backbone interact. energy: -0.633
local terms energy: -360.100588
where:
bonds (distance) C4'-P energy: -74.593
bonds (distance) P-C4' energy: -68.703
flat angles C4'-P-C4' energy: -76.894
flat angles P-C4'-P energy: -55.131
tors. eta vs tors. theta energy: -84.779
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: 5
=====================================
Write number: 423
Temperature: 1.000000
Total energy: -932.661992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -932.661992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -932.661992 (E_RNA)
where:
Base-Base interactions energy: -601.409
where: short stacking energy: -286.937
Base-Backbone interact. energy: 0.868
local terms energy: -332.121302
where:
bonds (distance) C4'-P energy: -61.143
bonds (distance) P-C4' energy: -61.890
flat angles C4'-P-C4' energy: -70.570
flat angles P-C4'-P energy: -53.095
tors. eta vs tors. theta energy: -85.424
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 423
Temperature: 1.050000
Total energy: -829.899629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -829.899629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -829.899629 (E_RNA)
where:
Base-Base interactions energy: -527.138
where: short stacking energy: -247.755
Base-Backbone interact. energy: -0.143
local terms energy: -302.618074
where:
bonds (distance) C4'-P energy: -68.882
bonds (distance) P-C4' energy: -51.582
flat angles C4'-P-C4' energy: -71.361
flat angles P-C4'-P energy: -43.514
tors. eta vs tors. theta energy: -67.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 423
Temperature: 1.100000
Total energy: -696.084525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -696.084525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -696.084525 (E_RNA)
where:
Base-Base interactions energy: -430.806
where: short stacking energy: -187.503
Base-Backbone interact. energy: 3.596
local terms energy: -268.874683
where:
bonds (distance) C4'-P energy: -55.049
bonds (distance) P-C4' energy: -63.106
flat angles C4'-P-C4' energy: -65.486
flat angles P-C4'-P energy: -45.351
tors. eta vs tors. theta energy: -39.883
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 423
Temperature: 1.150000
Total energy: -518.828842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.828842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.828842 (E_RNA)
where:
Base-Base interactions energy: -275.286
where: short stacking energy: -117.678
Base-Backbone interact. energy: -2.650
local terms energy: -240.893369
where:
bonds (distance) C4'-P energy: -61.298
bonds (distance) P-C4' energy: -61.288
flat angles C4'-P-C4' energy: -60.716
flat angles P-C4'-P energy: -41.401
tors. eta vs tors. theta energy: -16.190
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 423
Temperature: 1.200000
Total energy: -443.873050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -443.873050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -443.873050 (E_RNA)
where:
Base-Base interactions energy: -219.993
where: short stacking energy: -123.044
Base-Backbone interact. energy: 0.191
local terms energy: -224.070589
where:
bonds (distance) C4'-P energy: -56.708
bonds (distance) P-C4' energy: -58.455
flat angles C4'-P-C4' energy: -57.576
flat angles P-C4'-P energy: -43.442
tors. eta vs tors. theta energy: -7.890
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 423
Temperature: 1.250000
Total energy: -322.878787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.878787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.878787 (E_RNA)
where:
Base-Base interactions energy: -129.954
where: short stacking energy: -93.225
Base-Backbone interact. energy: 0.366
local terms energy: -193.289987
where:
bonds (distance) C4'-P energy: -44.702
bonds (distance) P-C4' energy: -65.854
flat angles C4'-P-C4' energy: -55.865
flat angles P-C4'-P energy: -27.513
tors. eta vs tors. theta energy: 0.644
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: 423
Temperature: 1.300000
Total energy: -321.113691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.113691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.113691 (E_RNA)
where:
Base-Base interactions energy: -136.596
where: short stacking energy: -82.258
Base-Backbone interact. energy: 5.854
local terms energy: -190.372358
where:
bonds (distance) C4'-P energy: -57.016
bonds (distance) P-C4' energy: -65.098
flat angles C4'-P-C4' energy: -53.599
flat angles P-C4'-P energy: -18.945
tors. eta vs tors. theta energy: 4.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 423
Temperature: 1.350000
Total energy: -273.894254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.894254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.894254 (E_RNA)
where:
Base-Base interactions energy: -106.967
where: short stacking energy: -63.101
Base-Backbone interact. energy: 1.315
local terms energy: -168.241862
where:
bonds (distance) C4'-P energy: -54.650
bonds (distance) P-C4' energy: -61.417
flat angles C4'-P-C4' energy: -39.974
flat angles P-C4'-P energy: -29.669
tors. eta vs tors. theta energy: 17.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 424
Temperature: 0.900000
Total energy: -1099.444826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1099.444826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1099.444826 (E_RNA)
where:
Base-Base interactions energy: -730.628
where: short stacking energy: -304.702
Base-Backbone interact. energy: -2.242
local terms energy: -366.574879
where:
bonds (distance) C4'-P energy: -65.206
bonds (distance) P-C4' energy: -72.115
flat angles C4'-P-C4' energy: -72.467
flat angles P-C4'-P energy: -49.037
tors. eta vs tors. theta energy: -107.749
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 424
Temperature: 0.950000
Total energy: -1008.646489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1008.646489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1008.646489 (E_RNA)
where:
Base-Base interactions energy: -665.326
where: short stacking energy: -290.360
Base-Backbone interact. energy: -1.442
local terms energy: -341.877885
where:
bonds (distance) C4'-P energy: -59.898
bonds (distance) P-C4' energy: -66.802
flat angles C4'-P-C4' energy: -75.759
flat angles P-C4'-P energy: -46.245
tors. eta vs tors. theta energy: -93.174
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: 5
=====================================
Write number: 424
Temperature: 1.000000
Total energy: -931.856957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -931.856957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -931.856957 (E_RNA)
where:
Base-Base interactions energy: -595.351
where: short stacking energy: -278.388
Base-Backbone interact. energy: -0.167
local terms energy: -336.338460
where:
bonds (distance) C4'-P energy: -65.048
bonds (distance) P-C4' energy: -60.464
flat angles C4'-P-C4' energy: -72.720
flat angles P-C4'-P energy: -48.439
tors. eta vs tors. theta energy: -89.668
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 424
Temperature: 1.050000
Total energy: -862.808482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -862.808482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -862.808482 (E_RNA)
where:
Base-Base interactions energy: -572.011
where: short stacking energy: -271.534
Base-Backbone interact. energy: -1.814
local terms energy: -288.983364
where:
bonds (distance) C4'-P energy: -61.651
bonds (distance) P-C4' energy: -57.114
flat angles C4'-P-C4' energy: -71.507
flat angles P-C4'-P energy: -31.347
tors. eta vs tors. theta energy: -67.364
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: 6
=====================================
Write number: 424
Temperature: 1.100000
Total energy: -687.244135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -687.244135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -687.244135 (E_RNA)
where:
Base-Base interactions energy: -416.125
where: short stacking energy: -216.142
Base-Backbone interact. energy: 0.836
local terms energy: -271.954694
where:
bonds (distance) C4'-P energy: -51.887
bonds (distance) P-C4' energy: -64.795
flat angles C4'-P-C4' energy: -67.464
flat angles P-C4'-P energy: -40.070
tors. eta vs tors. theta energy: -47.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 424
Temperature: 1.150000
Total energy: -497.843407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.843407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.843407 (E_RNA)
where:
Base-Base interactions energy: -259.136
where: short stacking energy: -132.699
Base-Backbone interact. energy: -0.518
local terms energy: -238.188917
where:
bonds (distance) C4'-P energy: -65.863
bonds (distance) P-C4' energy: -56.280
flat angles C4'-P-C4' energy: -65.031
flat angles P-C4'-P energy: -28.996
tors. eta vs tors. theta energy: -22.019
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: 2
=====================================
Write number: 424
Temperature: 1.200000
Total energy: -489.537516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -489.537516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -489.537516 (E_RNA)
where:
Base-Base interactions energy: -224.647
where: short stacking energy: -147.482
Base-Backbone interact. energy: -0.743
local terms energy: -264.147400
where:
bonds (distance) C4'-P energy: -65.223
bonds (distance) P-C4' energy: -69.669
flat angles C4'-P-C4' energy: -70.650
flat angles P-C4'-P energy: -36.328
tors. eta vs tors. theta energy: -22.277
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 424
Temperature: 1.250000
Total energy: -324.621062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.621062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.621062 (E_RNA)
where:
Base-Base interactions energy: -123.410
where: short stacking energy: -86.747
Base-Backbone interact. energy: 5.712
local terms energy: -206.923050
where:
bonds (distance) C4'-P energy: -52.229
bonds (distance) P-C4' energy: -59.816
flat angles C4'-P-C4' energy: -57.569
flat angles P-C4'-P energy: -32.475
tors. eta vs tors. theta energy: -4.835
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: 8
=====================================
Write number: 424
Temperature: 1.300000
Total energy: -292.180154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.180154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.180154 (E_RNA)
where:
Base-Base interactions energy: -112.471
where: short stacking energy: -51.049
Base-Backbone interact. energy: 6.867
local terms energy: -186.576600
where:
bonds (distance) C4'-P energy: -57.815
bonds (distance) P-C4' energy: -63.096
flat angles C4'-P-C4' energy: -62.041
flat angles P-C4'-P energy: -23.929
tors. eta vs tors. theta energy: 20.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 424
Temperature: 1.350000
Total energy: -254.295125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.295125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.295125 (E_RNA)
where:
Base-Base interactions energy: -95.077
where: short stacking energy: -60.907
Base-Backbone interact. energy: -0.939
local terms energy: -158.278800
where:
bonds (distance) C4'-P energy: -55.809
bonds (distance) P-C4' energy: -59.974
flat angles C4'-P-C4' energy: -43.124
flat angles P-C4'-P energy: -31.944
tors. eta vs tors. theta energy: 32.572
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: 1
=====================================
Write number: 425
Temperature: 0.900000
Total energy: -1116.310715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1116.310715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1116.310715 (E_RNA)
where:
Base-Base interactions energy: -745.749
where: short stacking energy: -335.756
Base-Backbone interact. energy: 0.503
local terms energy: -371.064464
where:
bonds (distance) C4'-P energy: -59.702
bonds (distance) P-C4' energy: -70.695
flat angles C4'-P-C4' energy: -81.563
flat angles P-C4'-P energy: -50.989
tors. eta vs tors. theta energy: -108.116
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: 2, replica: 4
=====================================
Write number: 425
Temperature: 0.950000
Total energy: -1029.904505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1029.904505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1029.904505 (E_RNA)
where:
Base-Base interactions energy: -680.994
where: short stacking energy: -314.774
Base-Backbone interact. energy: -0.848
local terms energy: -348.062108
where:
bonds (distance) C4'-P energy: -60.174
bonds (distance) P-C4' energy: -70.242
flat angles C4'-P-C4' energy: -73.736
flat angles P-C4'-P energy: -42.538
tors. eta vs tors. theta energy: -101.372
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: 5
=====================================
Write number: 425
Temperature: 1.000000
Total energy: -916.617793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -916.617793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -916.617793 (E_RNA)
where:
Base-Base interactions energy: -599.689
where: short stacking energy: -268.556
Base-Backbone interact. energy: -0.963
local terms energy: -315.965662
where:
bonds (distance) C4'-P energy: -48.907
bonds (distance) P-C4' energy: -61.343
flat angles C4'-P-C4' energy: -77.805
flat angles P-C4'-P energy: -38.488
tors. eta vs tors. theta energy: -89.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 425
Temperature: 1.050000
Total energy: -850.524781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -850.524781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -850.524781 (E_RNA)
where:
Base-Base interactions energy: -534.157
where: short stacking energy: -263.748
Base-Backbone interact. energy: -0.300
local terms energy: -316.067575
where:
bonds (distance) C4'-P energy: -53.228
bonds (distance) P-C4' energy: -67.256
flat angles C4'-P-C4' energy: -69.969
flat angles P-C4'-P energy: -52.151
tors. eta vs tors. theta energy: -73.464
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 425
Temperature: 1.100000
Total energy: -664.642495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -664.642495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -664.642495 (E_RNA)
where:
Base-Base interactions energy: -384.157
where: short stacking energy: -204.701
Base-Backbone interact. energy: 0.106
local terms energy: -280.591844
where:
bonds (distance) C4'-P energy: -70.722
bonds (distance) P-C4' energy: -65.700
flat angles C4'-P-C4' energy: -56.290
flat angles P-C4'-P energy: -37.975
tors. eta vs tors. theta energy: -49.906
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: 7
=====================================
Write number: 425
Temperature: 1.150000
Total energy: -509.135905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.135905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.135905 (E_RNA)
where:
Base-Base interactions energy: -273.657
where: short stacking energy: -146.872
Base-Backbone interact. energy: 0.761
local terms energy: -236.239951
where:
bonds (distance) C4'-P energy: -63.029
bonds (distance) P-C4' energy: -60.772
flat angles C4'-P-C4' energy: -48.206
flat angles P-C4'-P energy: -39.934
tors. eta vs tors. theta energy: -24.298
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: 7, replica: 2
=====================================
Write number: 425
Temperature: 1.200000
Total energy: -412.909414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.909414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.909414 (E_RNA)
where:
Base-Base interactions energy: -207.196
where: short stacking energy: -132.221
Base-Backbone interact. energy: 1.283
local terms energy: -206.995942
where:
bonds (distance) C4'-P energy: -48.942
bonds (distance) P-C4' energy: -59.198
flat angles C4'-P-C4' energy: -48.711
flat angles P-C4'-P energy: -41.048
tors. eta vs tors. theta energy: -9.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 425
Temperature: 1.250000
Total energy: -334.493060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.493060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.493060 (E_RNA)
where:
Base-Base interactions energy: -125.776
where: short stacking energy: -75.433
Base-Backbone interact. energy: -1.277
local terms energy: -207.440072
where:
bonds (distance) C4'-P energy: -58.947
bonds (distance) P-C4' energy: -71.835
flat angles C4'-P-C4' energy: -60.062
flat angles P-C4'-P energy: -19.135
tors. eta vs tors. theta energy: 2.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 425
Temperature: 1.300000
Total energy: -304.940668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.940668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.940668 (E_RNA)
where:
Base-Base interactions energy: -94.609
where: short stacking energy: -67.331
Base-Backbone interact. energy: 1.686
local terms energy: -212.017599
where:
bonds (distance) C4'-P energy: -68.307
bonds (distance) P-C4' energy: -69.112
flat angles C4'-P-C4' energy: -43.574
flat angles P-C4'-P energy: -41.173
tors. eta vs tors. theta energy: 10.148
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 425
Temperature: 1.350000
Total energy: -292.040832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.040832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.040832 (E_RNA)
where:
Base-Base interactions energy: -99.884
where: short stacking energy: -73.544
Base-Backbone interact. energy: 2.883
local terms energy: -195.039844
where:
bonds (distance) C4'-P energy: -66.862
bonds (distance) P-C4' energy: -58.328
flat angles C4'-P-C4' energy: -50.069
flat angles P-C4'-P energy: -32.213
tors. eta vs tors. theta energy: 12.433
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: 1
=====================================
Write number: 426
Temperature: 0.900000
Total energy: -1092.660029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1092.660029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1092.660029 (E_RNA)
where:
Base-Base interactions energy: -736.724
where: short stacking energy: -342.775
Base-Backbone interact. energy: -2.173
local terms energy: -353.763144
where:
bonds (distance) C4'-P energy: -66.123
bonds (distance) P-C4' energy: -67.649
flat angles C4'-P-C4' energy: -74.955
flat angles P-C4'-P energy: -36.933
tors. eta vs tors. theta energy: -108.104
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 426
Temperature: 0.950000
Total energy: -1043.492405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1043.492405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1043.492405 (E_RNA)
where:
Base-Base interactions energy: -684.116
where: short stacking energy: -294.545
Base-Backbone interact. energy: 4.412
local terms energy: -363.788271
where:
bonds (distance) C4'-P energy: -69.781
bonds (distance) P-C4' energy: -60.600
flat angles C4'-P-C4' energy: -81.693
flat angles P-C4'-P energy: -52.725
tors. eta vs tors. theta energy: -98.990
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 426
Temperature: 1.000000
Total energy: -916.518949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -916.518949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -916.518949 (E_RNA)
where:
Base-Base interactions energy: -601.856
where: short stacking energy: -270.855
Base-Backbone interact. energy: -1.936
local terms energy: -312.727128
where:
bonds (distance) C4'-P energy: -57.790
bonds (distance) P-C4' energy: -65.695
flat angles C4'-P-C4' energy: -61.127
flat angles P-C4'-P energy: -46.521
tors. eta vs tors. theta energy: -81.593
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 426
Temperature: 1.050000
Total energy: -884.681960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -884.681960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -884.681960 (E_RNA)
where:
Base-Base interactions energy: -574.816
where: short stacking energy: -266.545
Base-Backbone interact. energy: 1.912
local terms energy: -311.777800
where:
bonds (distance) C4'-P energy: -58.229
bonds (distance) P-C4' energy: -63.917
flat angles C4'-P-C4' energy: -61.384
flat angles P-C4'-P energy: -47.308
tors. eta vs tors. theta energy: -80.939
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: 6
=====================================
Write number: 426
Temperature: 1.100000
Total energy: -731.183868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -731.183868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -731.183868 (E_RNA)
where:
Base-Base interactions energy: -433.666
where: short stacking energy: -212.665
Base-Backbone interact. energy: -0.028
local terms energy: -297.489177
where:
bonds (distance) C4'-P energy: -69.007
bonds (distance) P-C4' energy: -66.081
flat angles C4'-P-C4' energy: -65.101
flat angles P-C4'-P energy: -44.595
tors. eta vs tors. theta energy: -52.705
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 426
Temperature: 1.150000
Total energy: -511.659374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.659374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.659374 (E_RNA)
where:
Base-Base interactions energy: -274.714
where: short stacking energy: -157.732
Base-Backbone interact. energy: -2.928
local terms energy: -234.017039
where:
bonds (distance) C4'-P energy: -59.478
bonds (distance) P-C4' energy: -58.365
flat angles C4'-P-C4' energy: -51.189
flat angles P-C4'-P energy: -35.711
tors. eta vs tors. theta energy: -29.274
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 426
Temperature: 1.200000
Total energy: -418.651700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.651700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.651700 (E_RNA)
where:
Base-Base interactions energy: -197.897
where: short stacking energy: -120.050
Base-Backbone interact. energy: 0.385
local terms energy: -221.139371
where:
bonds (distance) C4'-P energy: -56.004
bonds (distance) P-C4' energy: -61.642
flat angles C4'-P-C4' energy: -54.251
flat angles P-C4'-P energy: -45.422
tors. eta vs tors. theta energy: -3.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 426
Temperature: 1.250000
Total energy: -315.566100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.566100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.566100 (E_RNA)
where:
Base-Base interactions energy: -111.416
where: short stacking energy: -84.641
Base-Backbone interact. energy: -1.895
local terms energy: -202.255095
where:
bonds (distance) C4'-P energy: -61.416
bonds (distance) P-C4' energy: -56.500
flat angles C4'-P-C4' energy: -52.913
flat angles P-C4'-P energy: -32.543
tors. eta vs tors. theta energy: 1.117
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 426
Temperature: 1.300000
Total energy: -294.915426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.915426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.915426 (E_RNA)
where:
Base-Base interactions energy: -85.904
where: short stacking energy: -82.564
Base-Backbone interact. energy: 0.084
local terms energy: -209.095423
where:
bonds (distance) C4'-P energy: -67.724
bonds (distance) P-C4' energy: -62.244
flat angles C4'-P-C4' energy: -57.005
flat angles P-C4'-P energy: -15.968
tors. eta vs tors. theta energy: -6.154
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 426
Temperature: 1.350000
Total energy: -267.991458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.991458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.991458 (E_RNA)
where:
Base-Base interactions energy: -88.149
where: short stacking energy: -68.532
Base-Backbone interact. energy: -1.109
local terms energy: -178.733138
where:
bonds (distance) C4'-P energy: -55.747
bonds (distance) P-C4' energy: -68.910
flat angles C4'-P-C4' energy: -56.322
flat angles P-C4'-P energy: -9.964
tors. eta vs tors. theta energy: 12.209
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: 1, replica: 1
=====================================
Write number: 427
Temperature: 0.900000
Total energy: -1127.279248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1127.279248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1127.279248 (E_RNA)
where:
Base-Base interactions energy: -745.346
where: short stacking energy: -345.169
Base-Backbone interact. energy: -2.200
local terms energy: -379.733718
where:
bonds (distance) C4'-P energy: -70.613
bonds (distance) P-C4' energy: -71.045
flat angles C4'-P-C4' energy: -75.134
flat angles P-C4'-P energy: -55.083
tors. eta vs tors. theta energy: -107.858
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 427
Temperature: 0.950000
Total energy: -1053.046850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1053.046850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1053.046850 (E_RNA)
where:
Base-Base interactions energy: -678.907
where: short stacking energy: -306.206
Base-Backbone interact. energy: 2.205
local terms energy: -376.344531
where:
bonds (distance) C4'-P energy: -73.311
bonds (distance) P-C4' energy: -74.048
flat angles C4'-P-C4' energy: -77.781
flat angles P-C4'-P energy: -40.235
tors. eta vs tors. theta energy: -110.969
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 427
Temperature: 1.000000
Total energy: -918.325162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -918.325162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -918.325162 (E_RNA)
where:
Base-Base interactions energy: -609.736
where: short stacking energy: -257.905
Base-Backbone interact. energy: -1.753
local terms energy: -306.836159
where:
bonds (distance) C4'-P energy: -61.510
bonds (distance) P-C4' energy: -64.846
flat angles C4'-P-C4' energy: -72.161
flat angles P-C4'-P energy: -35.456
tors. eta vs tors. theta energy: -72.864
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: 3
=====================================
Write number: 427
Temperature: 1.050000
Total energy: -838.431181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -838.431181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -838.431181 (E_RNA)
where:
Base-Base interactions energy: -525.331
where: short stacking energy: -228.683
Base-Backbone interact. energy: 1.460
local terms energy: -314.559845
where:
bonds (distance) C4'-P energy: -66.796
bonds (distance) P-C4' energy: -76.318
flat angles C4'-P-C4' energy: -64.404
flat angles P-C4'-P energy: -41.106
tors. eta vs tors. theta energy: -65.936
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: 6
=====================================
Write number: 427
Temperature: 1.100000
Total energy: -694.196558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -694.196558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -694.196558 (E_RNA)
where:
Base-Base interactions energy: -430.827
where: short stacking energy: -218.085
Base-Backbone interact. energy: -2.153
local terms energy: -261.216707
where:
bonds (distance) C4'-P energy: -62.833
bonds (distance) P-C4' energy: -53.699
flat angles C4'-P-C4' energy: -61.660
flat angles P-C4'-P energy: -37.118
tors. eta vs tors. theta energy: -45.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 427
Temperature: 1.150000
Total energy: -556.701116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.701116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -556.701116 (E_RNA)
where:
Base-Base interactions energy: -303.521
where: short stacking energy: -136.137
Base-Backbone interact. energy: -0.059
local terms energy: -253.121064
where:
bonds (distance) C4'-P energy: -66.472
bonds (distance) P-C4' energy: -68.302
flat angles C4'-P-C4' energy: -55.225
flat angles P-C4'-P energy: -42.117
tors. eta vs tors. theta energy: -21.006
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: 2
=====================================
Write number: 427
Temperature: 1.200000
Total energy: -437.283519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -437.283519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -437.283519 (E_RNA)
where:
Base-Base interactions energy: -222.295
where: short stacking energy: -134.046
Base-Backbone interact. energy: 0.494
local terms energy: -215.482434
where:
bonds (distance) C4'-P energy: -59.762
bonds (distance) P-C4' energy: -67.218
flat angles C4'-P-C4' energy: -33.508
flat angles P-C4'-P energy: -43.032
tors. eta vs tors. theta energy: -11.962
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 427
Temperature: 1.250000
Total energy: -315.913620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.913620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.913620 (E_RNA)
where:
Base-Base interactions energy: -96.789
where: short stacking energy: -82.394
Base-Backbone interact. energy: 0.100
local terms energy: -219.224660
where:
bonds (distance) C4'-P energy: -66.563
bonds (distance) P-C4' energy: -67.363
flat angles C4'-P-C4' energy: -46.529
flat angles P-C4'-P energy: -34.172
tors. eta vs tors. theta energy: -4.597
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 427
Temperature: 1.300000
Total energy: -332.191567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.191567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.191567 (E_RNA)
where:
Base-Base interactions energy: -129.722
where: short stacking energy: -84.026
Base-Backbone interact. energy: -2.332
local terms energy: -200.138207
where:
bonds (distance) C4'-P energy: -68.245
bonds (distance) P-C4' energy: -64.434
flat angles C4'-P-C4' energy: -49.059
flat angles P-C4'-P energy: -31.211
tors. eta vs tors. theta energy: 12.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 427
Temperature: 1.350000
Total energy: -261.485856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.485856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.485856 (E_RNA)
where:
Base-Base interactions energy: -78.873
where: short stacking energy: -61.463
Base-Backbone interact. energy: 0.516
local terms energy: -183.129261
where:
bonds (distance) C4'-P energy: -62.994
bonds (distance) P-C4' energy: -51.909
flat angles C4'-P-C4' energy: -47.246
flat angles P-C4'-P energy: -32.873
tors. eta vs tors. theta energy: 11.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 428
Temperature: 0.900000
Total energy: -1135.998909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1135.998909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1135.998909 (E_RNA)
where:
Base-Base interactions energy: -774.550
where: short stacking energy: -346.746
Base-Backbone interact. energy: -0.993
local terms energy: -360.456006
where:
bonds (distance) C4'-P energy: -67.343
bonds (distance) P-C4' energy: -66.990
flat angles C4'-P-C4' energy: -78.545
flat angles P-C4'-P energy: -43.075
tors. eta vs tors. theta energy: -104.503
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: 2, replica: 4
=====================================
Write number: 428
Temperature: 0.950000
Total energy: -1043.275712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1043.275712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1043.275712 (E_RNA)
where:
Base-Base interactions energy: -684.927
where: short stacking energy: -289.280
Base-Backbone interact. energy: -0.816
local terms energy: -357.532667
where:
bonds (distance) C4'-P energy: -68.693
bonds (distance) P-C4' energy: -74.518
flat angles C4'-P-C4' energy: -69.350
flat angles P-C4'-P energy: -41.960
tors. eta vs tors. theta energy: -103.012
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: 3, replica: 5
=====================================
Write number: 428
Temperature: 1.000000
Total energy: -901.913993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -901.913993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -901.913993 (E_RNA)
where:
Base-Base interactions energy: -570.490
where: short stacking energy: -282.071
Base-Backbone interact. energy: -1.257
local terms energy: -330.167446
where:
bonds (distance) C4'-P energy: -66.667
bonds (distance) P-C4' energy: -65.262
flat angles C4'-P-C4' energy: -65.910
flat angles P-C4'-P energy: -48.690
tors. eta vs tors. theta energy: -83.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 428
Temperature: 1.050000
Total energy: -851.025954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -851.025954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -851.025954 (E_RNA)
where:
Base-Base interactions energy: -534.740
where: short stacking energy: -219.572
Base-Backbone interact. energy: -0.432
local terms energy: -315.853277
where:
bonds (distance) C4'-P energy: -57.720
bonds (distance) P-C4' energy: -80.547
flat angles C4'-P-C4' energy: -60.963
flat angles P-C4'-P energy: -50.665
tors. eta vs tors. theta energy: -65.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 428
Temperature: 1.100000
Total energy: -736.022846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -736.022846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -736.022846 (E_RNA)
where:
Base-Base interactions energy: -439.307
where: short stacking energy: -238.046
Base-Backbone interact. energy: -0.302
local terms energy: -296.413532
where:
bonds (distance) C4'-P energy: -67.589
bonds (distance) P-C4' energy: -50.567
flat angles C4'-P-C4' energy: -62.064
flat angles P-C4'-P energy: -46.700
tors. eta vs tors. theta energy: -69.493
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 428
Temperature: 1.150000
Total energy: -576.212227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -576.212227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -576.212227 (E_RNA)
where:
Base-Base interactions energy: -313.656
where: short stacking energy: -166.891
Base-Backbone interact. energy: 0.202
local terms energy: -262.758848
where:
bonds (distance) C4'-P energy: -59.057
bonds (distance) P-C4' energy: -69.202
flat angles C4'-P-C4' energy: -63.138
flat angles P-C4'-P energy: -38.711
tors. eta vs tors. theta energy: -32.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 428
Temperature: 1.200000
Total energy: -366.821599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.821599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.821599 (E_RNA)
where:
Base-Base interactions energy: -134.880
where: short stacking energy: -100.427
Base-Backbone interact. energy: 0.723
local terms energy: -232.665218
where:
bonds (distance) C4'-P energy: -60.548
bonds (distance) P-C4' energy: -63.724
flat angles C4'-P-C4' energy: -68.945
flat angles P-C4'-P energy: -33.577
tors. eta vs tors. theta energy: -5.871
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: 2
=====================================
Write number: 428
Temperature: 1.250000
Total energy: -392.045202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.045202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -392.045202 (E_RNA)
where:
Base-Base interactions energy: -163.673
where: short stacking energy: -87.665
Base-Backbone interact. energy: -0.346
local terms energy: -228.026476
where:
bonds (distance) C4'-P energy: -58.838
bonds (distance) P-C4' energy: -68.497
flat angles C4'-P-C4' energy: -55.012
flat angles P-C4'-P energy: -38.888
tors. eta vs tors. theta energy: -6.791
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: 9
=====================================
Write number: 428
Temperature: 1.300000
Total energy: -280.493348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.493348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.493348 (E_RNA)
where:
Base-Base interactions energy: -94.852
where: short stacking energy: -79.995
Base-Backbone interact. energy: 0.362
local terms energy: -186.003372
where:
bonds (distance) C4'-P energy: -59.196
bonds (distance) P-C4' energy: -68.631
flat angles C4'-P-C4' energy: -44.287
flat angles P-C4'-P energy: -19.588
tors. eta vs tors. theta energy: 5.699
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 428
Temperature: 1.350000
Total energy: -290.575530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.575530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.575530 (E_RNA)
where:
Base-Base interactions energy: -120.446
where: short stacking energy: -85.511
Base-Backbone interact. energy: -2.296
local terms energy: -167.833434
where:
bonds (distance) C4'-P energy: -37.936
bonds (distance) P-C4' energy: -62.367
flat angles C4'-P-C4' energy: -37.142
flat angles P-C4'-P energy: -38.105
tors. eta vs tors. theta energy: 7.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 429
Temperature: 0.900000
Total energy: -1146.592513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1146.592513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1146.592513 (E_RNA)
where:
Base-Base interactions energy: -782.949
where: short stacking energy: -352.410
Base-Backbone interact. energy: -1.707
local terms energy: -361.936201
where:
bonds (distance) C4'-P energy: -77.617
bonds (distance) P-C4' energy: -72.760
flat angles C4'-P-C4' energy: -63.729
flat angles P-C4'-P energy: -42.257
tors. eta vs tors. theta energy: -105.574
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: 4
=====================================
Write number: 429
Temperature: 0.950000
Total energy: -1059.441992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1059.441992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1059.441992 (E_RNA)
where:
Base-Base interactions energy: -688.688
where: short stacking energy: -314.686
Base-Backbone interact. energy: 0.083
local terms energy: -370.837316
where:
bonds (distance) C4'-P energy: -72.082
bonds (distance) P-C4' energy: -64.139
flat angles C4'-P-C4' energy: -81.271
flat angles P-C4'-P energy: -45.867
tors. eta vs tors. theta energy: -107.478
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: 5
=====================================
Write number: 429
Temperature: 1.000000
Total energy: -895.601312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -895.601312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -895.601312 (E_RNA)
where:
Base-Base interactions energy: -567.703
where: short stacking energy: -258.791
Base-Backbone interact. energy: -1.311
local terms energy: -326.587481
where:
bonds (distance) C4'-P energy: -59.679
bonds (distance) P-C4' energy: -71.803
flat angles C4'-P-C4' energy: -71.563
flat angles P-C4'-P energy: -43.304
tors. eta vs tors. theta energy: -80.238
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: 4, replica: 3
=====================================
Write number: 429
Temperature: 1.050000
Total energy: -869.852640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -869.852640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -869.852640 (E_RNA)
where:
Base-Base interactions energy: -559.792
where: short stacking energy: -259.760
Base-Backbone interact. energy: -2.371
local terms energy: -307.689936
where:
bonds (distance) C4'-P energy: -52.094
bonds (distance) P-C4' energy: -70.722
flat angles C4'-P-C4' energy: -70.644
flat angles P-C4'-P energy: -34.733
tors. eta vs tors. theta energy: -79.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 429
Temperature: 1.100000
Total energy: -684.717745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -684.717745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -684.717745 (E_RNA)
where:
Base-Base interactions energy: -410.073
where: short stacking energy: -191.552
Base-Backbone interact. energy: -0.120
local terms energy: -274.524945
where:
bonds (distance) C4'-P energy: -57.823
bonds (distance) P-C4' energy: -68.383
flat angles C4'-P-C4' energy: -62.022
flat angles P-C4'-P energy: -43.842
tors. eta vs tors. theta energy: -42.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 429
Temperature: 1.150000
Total energy: -549.961486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.961486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.961486 (E_RNA)
where:
Base-Base interactions energy: -305.177
where: short stacking energy: -147.894
Base-Backbone interact. energy: 0.519
local terms energy: -245.303081
where:
bonds (distance) C4'-P energy: -67.125
bonds (distance) P-C4' energy: -66.472
flat angles C4'-P-C4' energy: -62.233
flat angles P-C4'-P energy: -26.896
tors. eta vs tors. theta energy: -22.577
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: 7, replica: 10
=====================================
Write number: 429
Temperature: 1.200000
Total energy: -345.740701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.740701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.740701 (E_RNA)
where:
Base-Base interactions energy: -135.721
where: short stacking energy: -78.291
Base-Backbone interact. energy: -0.639
local terms energy: -209.380501
where:
bonds (distance) C4'-P energy: -65.162
bonds (distance) P-C4' energy: -59.403
flat angles C4'-P-C4' energy: -52.201
flat angles P-C4'-P energy: -34.441
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: 8, replica: 2
=====================================
Write number: 429
Temperature: 1.250000
Total energy: -388.790757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -388.790757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -388.790757 (E_RNA)
where:
Base-Base interactions energy: -175.102
where: short stacking energy: -114.701
Base-Backbone interact. energy: -0.955
local terms energy: -212.734552
where:
bonds (distance) C4'-P energy: -54.122
bonds (distance) P-C4' energy: -61.600
flat angles C4'-P-C4' energy: -56.629
flat angles P-C4'-P energy: -31.726
tors. eta vs tors. theta energy: -8.657
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 429
Temperature: 1.300000
Total energy: -284.899036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.899036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.899036 (E_RNA)
where:
Base-Base interactions energy: -89.856
where: short stacking energy: -78.103
Base-Backbone interact. energy: 1.045
local terms energy: -196.088119
where:
bonds (distance) C4'-P energy: -45.037
bonds (distance) P-C4' energy: -66.761
flat angles C4'-P-C4' energy: -57.087
flat angles P-C4'-P energy: -41.761
tors. eta vs tors. theta energy: 14.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 429
Temperature: 1.350000
Total energy: -269.167633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.167633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.167633 (E_RNA)
where:
Base-Base interactions energy: -78.356
where: short stacking energy: -70.511
Base-Backbone interact. energy: -0.738
local terms energy: -190.074440
where:
bonds (distance) C4'-P energy: -53.882
bonds (distance) P-C4' energy: -71.968
flat angles C4'-P-C4' energy: -48.226
flat angles P-C4'-P energy: -21.752
tors. eta vs tors. theta energy: 5.754
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 430
Temperature: 0.900000
Total energy: -1114.600174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1114.600174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1114.600174 (E_RNA)
where:
Base-Base interactions energy: -749.984
where: short stacking energy: -331.854
Base-Backbone interact. energy: 5.943
local terms energy: -370.559407
where:
bonds (distance) C4'-P energy: -73.066
bonds (distance) P-C4' energy: -67.653
flat angles C4'-P-C4' energy: -78.482
flat angles P-C4'-P energy: -48.670
tors. eta vs tors. theta energy: -102.689
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: 4
=====================================
Write number: 430
Temperature: 0.950000
Total energy: -1059.942458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1059.942458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1059.942458 (E_RNA)
where:
Base-Base interactions energy: -696.191
where: short stacking energy: -304.233
Base-Backbone interact. energy: -1.773
local terms energy: -361.978752
where:
bonds (distance) C4'-P energy: -69.931
bonds (distance) P-C4' energy: -63.541
flat angles C4'-P-C4' energy: -75.102
flat angles P-C4'-P energy: -47.269
tors. eta vs tors. theta energy: -106.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 430
Temperature: 1.000000
Total energy: -917.175638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -917.175638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -917.175638 (E_RNA)
where:
Base-Base interactions energy: -576.127
where: short stacking energy: -285.703
Base-Backbone interact. energy: -1.255
local terms energy: -339.793201
where:
bonds (distance) C4'-P energy: -74.417
bonds (distance) P-C4' energy: -75.246
flat angles C4'-P-C4' energy: -60.383
flat angles P-C4'-P energy: -35.089
tors. eta vs tors. theta energy: -94.659
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: 4, replica: 3
=====================================
Write number: 430
Temperature: 1.050000
Total energy: -827.689449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -827.689449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -827.689449 (E_RNA)
where:
Base-Base interactions energy: -522.498
where: short stacking energy: -243.774
Base-Backbone interact. energy: 0.346
local terms energy: -305.536584
where:
bonds (distance) C4'-P energy: -62.764
bonds (distance) P-C4' energy: -58.513
flat angles C4'-P-C4' energy: -63.206
flat angles P-C4'-P energy: -47.788
tors. eta vs tors. theta energy: -73.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 430
Temperature: 1.100000
Total energy: -676.796280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -676.796280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -676.796280 (E_RNA)
where:
Base-Base interactions energy: -397.937
where: short stacking energy: -182.652
Base-Backbone interact. energy: -0.676
local terms energy: -278.183211
where:
bonds (distance) C4'-P energy: -65.432
bonds (distance) P-C4' energy: -68.265
flat angles C4'-P-C4' energy: -60.457
flat angles P-C4'-P energy: -37.386
tors. eta vs tors. theta energy: -46.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 430
Temperature: 1.150000
Total energy: -572.329253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -572.329253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -572.329253 (E_RNA)
where:
Base-Base interactions energy: -317.482
where: short stacking energy: -152.350
Base-Backbone interact. energy: -1.717
local terms energy: -253.129893
where:
bonds (distance) C4'-P energy: -56.121
bonds (distance) P-C4' energy: -75.382
flat angles C4'-P-C4' energy: -61.505
flat angles P-C4'-P energy: -24.525
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: 7, replica: 2
=====================================
Write number: 430
Temperature: 1.200000
Total energy: -412.774910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.774910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.774910 (E_RNA)
where:
Base-Base interactions energy: -179.041
where: short stacking energy: -116.288
Base-Backbone interact. energy: -2.170
local terms energy: -231.563828
where:
bonds (distance) C4'-P energy: -55.381
bonds (distance) P-C4' energy: -61.816
flat angles C4'-P-C4' energy: -70.851
flat angles P-C4'-P energy: -36.965
tors. eta vs tors. theta energy: -6.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 430
Temperature: 1.250000
Total energy: -308.606926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.606926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.606926 (E_RNA)
where:
Base-Base interactions energy: -109.506
where: short stacking energy: -89.027
Base-Backbone interact. energy: 0.186
local terms energy: -199.286589
where:
bonds (distance) C4'-P energy: -53.669
bonds (distance) P-C4' energy: -65.379
flat angles C4'-P-C4' energy: -59.018
flat angles P-C4'-P energy: -30.085
tors. eta vs tors. theta energy: 8.865
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 430
Temperature: 1.300000
Total energy: -289.910778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.910778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.910778 (E_RNA)
where:
Base-Base interactions energy: -115.853
where: short stacking energy: -90.388
Base-Backbone interact. energy: -1.700
local terms energy: -172.357413
where:
bonds (distance) C4'-P energy: -51.644
bonds (distance) P-C4' energy: -45.638
flat angles C4'-P-C4' energy: -46.286
flat angles P-C4'-P energy: -40.250
tors. eta vs tors. theta energy: 11.461
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: 9
=====================================
Write number: 430
Temperature: 1.350000
Total energy: -285.972010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.972010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.972010 (E_RNA)
where:
Base-Base interactions energy: -82.068
where: short stacking energy: -60.429
Base-Backbone interact. energy: -0.078
local terms energy: -203.826482
where:
bonds (distance) C4'-P energy: -58.075
bonds (distance) P-C4' energy: -69.907
flat angles C4'-P-C4' energy: -48.034
flat angles P-C4'-P energy: -38.860
tors. eta vs tors. theta energy: 11.050
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 431
Temperature: 0.900000
Total energy: -1123.873771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1123.873771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1123.873771 (E_RNA)
where:
Base-Base interactions energy: -750.109
where: short stacking energy: -332.744
Base-Backbone interact. energy: -1.173
local terms energy: -372.591795
where:
bonds (distance) C4'-P energy: -68.503
bonds (distance) P-C4' energy: -75.443
flat angles C4'-P-C4' energy: -72.852
flat angles P-C4'-P energy: -49.552
tors. eta vs tors. theta energy: -106.242
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: 4
=====================================
Write number: 431
Temperature: 0.950000
Total energy: -1063.462787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1063.462787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1063.462787 (E_RNA)
where:
Base-Base interactions energy: -697.862
where: short stacking energy: -331.707
Base-Backbone interact. energy: -2.241
local terms energy: -363.360034
where:
bonds (distance) C4'-P energy: -62.934
bonds (distance) P-C4' energy: -64.641
flat angles C4'-P-C4' energy: -71.402
flat angles P-C4'-P energy: -58.229
tors. eta vs tors. theta energy: -106.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 431
Temperature: 1.000000
Total energy: -904.716633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -904.716633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -904.716633 (E_RNA)
where:
Base-Base interactions energy: -590.186
where: short stacking energy: -274.706
Base-Backbone interact. energy: -1.434
local terms energy: -313.096055
where:
bonds (distance) C4'-P energy: -82.935
bonds (distance) P-C4' energy: -48.617
flat angles C4'-P-C4' energy: -57.982
flat angles P-C4'-P energy: -46.771
tors. eta vs tors. theta energy: -76.791
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 431
Temperature: 1.050000
Total energy: -829.452778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -829.452778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -829.452778 (E_RNA)
where:
Base-Base interactions energy: -524.418
where: short stacking energy: -242.912
Base-Backbone interact. energy: 0.130
local terms energy: -305.164224
where:
bonds (distance) C4'-P energy: -66.247
bonds (distance) P-C4' energy: -66.386
flat angles C4'-P-C4' energy: -61.372
flat angles P-C4'-P energy: -31.974
tors. eta vs tors. theta energy: -79.185
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: 6
=====================================
Write number: 431
Temperature: 1.100000
Total energy: -688.900675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -688.900675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -688.900675 (E_RNA)
where:
Base-Base interactions energy: -429.966
where: short stacking energy: -221.360
Base-Backbone interact. energy: -2.102
local terms energy: -256.832641
where:
bonds (distance) C4'-P energy: -40.535
bonds (distance) P-C4' energy: -57.422
flat angles C4'-P-C4' energy: -68.543
flat angles P-C4'-P energy: -33.576
tors. eta vs tors. theta energy: -56.757
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: 7
=====================================
Write number: 431
Temperature: 1.150000
Total energy: -541.641011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.641011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.641011 (E_RNA)
where:
Base-Base interactions energy: -277.925
where: short stacking energy: -141.751
Base-Backbone interact. energy: 0.048
local terms energy: -263.763863
where:
bonds (distance) C4'-P energy: -60.094
bonds (distance) P-C4' energy: -68.374
flat angles C4'-P-C4' energy: -63.904
flat angles P-C4'-P energy: -44.356
tors. eta vs tors. theta energy: -27.035
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 431
Temperature: 1.200000
Total energy: -429.268987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -429.268987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -429.268987 (E_RNA)
where:
Base-Base interactions energy: -207.516
where: short stacking energy: -115.209
Base-Backbone interact. energy: -0.659
local terms energy: -221.094089
where:
bonds (distance) C4'-P energy: -55.552
bonds (distance) P-C4' energy: -70.193
flat angles C4'-P-C4' energy: -56.615
flat angles P-C4'-P energy: -30.502
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: 8, replica: 8
=====================================
Write number: 431
Temperature: 1.250000
Total energy: -320.369740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.369740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.369740 (E_RNA)
where:
Base-Base interactions energy: -116.322
where: short stacking energy: -94.114
Base-Backbone interact. energy: -3.105
local terms energy: -200.943193
where:
bonds (distance) C4'-P energy: -47.965
bonds (distance) P-C4' energy: -59.474
flat angles C4'-P-C4' energy: -62.589
flat angles P-C4'-P energy: -33.835
tors. eta vs tors. theta energy: 2.921
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 431
Temperature: 1.300000
Total energy: -284.354172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.354172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.354172 (E_RNA)
where:
Base-Base interactions energy: -111.676
where: short stacking energy: -62.219
Base-Backbone interact. energy: 2.589
local terms energy: -175.267214
where:
bonds (distance) C4'-P energy: -52.498
bonds (distance) P-C4' energy: -54.679
flat angles C4'-P-C4' energy: -48.754
flat angles P-C4'-P energy: -26.214
tors. eta vs tors. theta energy: 6.878
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: 9
=====================================
Write number: 431
Temperature: 1.350000
Total energy: -268.382102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.382102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.382102 (E_RNA)
where:
Base-Base interactions energy: -88.195
where: short stacking energy: -81.940
Base-Backbone interact. energy: 2.077
local terms energy: -182.264274
where:
bonds (distance) C4'-P energy: -50.059
bonds (distance) P-C4' energy: -58.653
flat angles C4'-P-C4' energy: -54.587
flat angles P-C4'-P energy: -30.628
tors. eta vs tors. theta energy: 11.662
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: 4
=====================================
Write number: 432
Temperature: 0.900000
Total energy: -1092.642141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1092.642141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1092.642141 (E_RNA)
where:
Base-Base interactions energy: -720.092
where: short stacking energy: -321.155
Base-Backbone interact. energy: 0.439
local terms energy: -372.988653
where:
bonds (distance) C4'-P energy: -72.602
bonds (distance) P-C4' energy: -65.642
flat angles C4'-P-C4' energy: -77.435
flat angles P-C4'-P energy: -52.870
tors. eta vs tors. theta energy: -104.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 432
Temperature: 0.950000
Total energy: -1073.272481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1073.272481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1073.272481 (E_RNA)
where:
Base-Base interactions energy: -741.706
where: short stacking energy: -320.021
Base-Backbone interact. energy: -0.820
local terms energy: -330.746546
where:
bonds (distance) C4'-P energy: -66.810
bonds (distance) P-C4' energy: -64.905
flat angles C4'-P-C4' energy: -68.973
flat angles P-C4'-P energy: -39.155
tors. eta vs tors. theta energy: -90.904
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 432
Temperature: 1.000000
Total energy: -934.818460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -934.818460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -934.818460 (E_RNA)
where:
Base-Base interactions energy: -591.395
where: short stacking energy: -262.393
Base-Backbone interact. energy: -2.058
local terms energy: -341.365124
where:
bonds (distance) C4'-P energy: -77.629
bonds (distance) P-C4' energy: -64.002
flat angles C4'-P-C4' energy: -68.898
flat angles P-C4'-P energy: -51.422
tors. eta vs tors. theta energy: -79.415
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: 3
=====================================
Write number: 432
Temperature: 1.050000
Total energy: -853.338682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -853.338682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -853.338682 (E_RNA)
where:
Base-Base interactions energy: -504.400
where: short stacking energy: -253.311
Base-Backbone interact. energy: -1.195
local terms energy: -347.744020
where:
bonds (distance) C4'-P energy: -68.585
bonds (distance) P-C4' energy: -77.175
flat angles C4'-P-C4' energy: -72.258
flat angles P-C4'-P energy: -51.027
tors. eta vs tors. theta energy: -78.700
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 432
Temperature: 1.100000
Total energy: -685.313708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -685.313708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -685.313708 (E_RNA)
where:
Base-Base interactions energy: -400.544
where: short stacking energy: -198.089
Base-Backbone interact. energy: -0.528
local terms energy: -284.241595
where:
bonds (distance) C4'-P energy: -56.303
bonds (distance) P-C4' energy: -61.393
flat angles C4'-P-C4' energy: -64.256
flat angles P-C4'-P energy: -51.937
tors. eta vs tors. theta energy: -50.352
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: 7
=====================================
Write number: 432
Temperature: 1.150000
Total energy: -541.091676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.091676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.091676 (E_RNA)
where:
Base-Base interactions energy: -288.509
where: short stacking energy: -151.528
Base-Backbone interact. energy: -3.351
local terms energy: -249.231199
where:
bonds (distance) C4'-P energy: -54.841
bonds (distance) P-C4' energy: -68.865
flat angles C4'-P-C4' energy: -58.747
flat angles P-C4'-P energy: -42.952
tors. eta vs tors. theta energy: -23.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 432
Temperature: 1.200000
Total energy: -465.207911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -465.207911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -465.207911 (E_RNA)
where:
Base-Base interactions energy: -251.903
where: short stacking energy: -147.221
Base-Backbone interact. energy: -0.656
local terms energy: -212.648368
where:
bonds (distance) C4'-P energy: -52.881
bonds (distance) P-C4' energy: -66.477
flat angles C4'-P-C4' energy: -49.945
flat angles P-C4'-P energy: -15.081
tors. eta vs tors. theta energy: -28.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 432
Temperature: 1.250000
Total energy: -308.198695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.198695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.198695 (E_RNA)
where:
Base-Base interactions energy: -130.994
where: short stacking energy: -85.951
Base-Backbone interact. energy: 0.890
local terms energy: -178.095370
where:
bonds (distance) C4'-P energy: -47.253
bonds (distance) P-C4' energy: -57.272
flat angles C4'-P-C4' energy: -55.500
flat angles P-C4'-P energy: -31.840
tors. eta vs tors. theta energy: 13.769
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 432
Temperature: 1.300000
Total energy: -287.677093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.677093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.677093 (E_RNA)
where:
Base-Base interactions energy: -88.310
where: short stacking energy: -74.004
Base-Backbone interact. energy: 3.130
local terms energy: -202.497193
where:
bonds (distance) C4'-P energy: -58.893
bonds (distance) P-C4' energy: -59.352
flat angles C4'-P-C4' energy: -60.924
flat angles P-C4'-P energy: -28.382
tors. eta vs tors. theta energy: 5.054
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 432
Temperature: 1.350000
Total energy: -265.922561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.922561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.922561 (E_RNA)
where:
Base-Base interactions energy: -95.875
where: short stacking energy: -51.941
Base-Backbone interact. energy: -0.141
local terms energy: -169.907073
where:
bonds (distance) C4'-P energy: -55.649
bonds (distance) P-C4' energy: -71.660
flat angles C4'-P-C4' energy: -38.556
flat angles P-C4'-P energy: -29.419
tors. eta vs tors. theta energy: 25.377
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: 4
=====================================
Write number: 433
Temperature: 0.900000
Total energy: -1111.183156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1111.183156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1111.183156 (E_RNA)
where:
Base-Base interactions energy: -722.035
where: short stacking energy: -333.803
Base-Backbone interact. energy: -2.139
local terms energy: -387.009194
where:
bonds (distance) C4'-P energy: -71.254
bonds (distance) P-C4' energy: -71.799
flat angles C4'-P-C4' energy: -76.445
flat angles P-C4'-P energy: -54.230
tors. eta vs tors. theta energy: -113.280
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: 1
=====================================
Write number: 433
Temperature: 0.950000
Total energy: -1081.660169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1081.660169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1081.660169 (E_RNA)
where:
Base-Base interactions energy: -723.997
where: short stacking energy: -324.985
Base-Backbone interact. energy: -1.056
local terms energy: -356.607138
where:
bonds (distance) C4'-P energy: -52.879
bonds (distance) P-C4' energy: -71.282
flat angles C4'-P-C4' energy: -71.756
flat angles P-C4'-P energy: -57.101
tors. eta vs tors. theta energy: -103.589
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 433
Temperature: 1.000000
Total energy: -915.625006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -915.625006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -915.625006 (E_RNA)
where:
Base-Base interactions energy: -586.092
where: short stacking energy: -277.894
Base-Backbone interact. energy: -2.364
local terms energy: -327.168352
where:
bonds (distance) C4'-P energy: -58.256
bonds (distance) P-C4' energy: -69.406
flat angles C4'-P-C4' energy: -72.913
flat angles P-C4'-P energy: -45.336
tors. eta vs tors. theta energy: -81.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 433
Temperature: 1.050000
Total energy: -858.872066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -858.872066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -858.872066 (E_RNA)
where:
Base-Base interactions energy: -542.830
where: short stacking energy: -265.986
Base-Backbone interact. energy: 0.565
local terms energy: -316.607739
where:
bonds (distance) C4'-P energy: -69.235
bonds (distance) P-C4' energy: -60.974
flat angles C4'-P-C4' energy: -66.422
flat angles P-C4'-P energy: -41.074
tors. eta vs tors. theta energy: -78.903
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 433
Temperature: 1.100000
Total energy: -718.268858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -718.268858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -718.268858 (E_RNA)
where:
Base-Base interactions energy: -432.006
where: short stacking energy: -214.286
Base-Backbone interact. energy: -0.583
local terms energy: -285.679048
where:
bonds (distance) C4'-P energy: -62.752
bonds (distance) P-C4' energy: -59.086
flat angles C4'-P-C4' energy: -63.405
flat angles P-C4'-P energy: -42.994
tors. eta vs tors. theta energy: -57.442
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: 6, replica: 7
=====================================
Write number: 433
Temperature: 1.150000
Total energy: -541.836439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.836439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.836439 (E_RNA)
where:
Base-Base interactions energy: -286.892
where: short stacking energy: -127.801
Base-Backbone interact. energy: -1.491
local terms energy: -253.452888
where:
bonds (distance) C4'-P energy: -58.904
bonds (distance) P-C4' energy: -77.949
flat angles C4'-P-C4' energy: -63.795
flat angles P-C4'-P energy: -35.612
tors. eta vs tors. theta energy: -17.193
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: 2
=====================================
Write number: 433
Temperature: 1.200000
Total energy: -451.466572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -451.466572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -451.466572 (E_RNA)
where:
Base-Base interactions energy: -220.867
where: short stacking energy: -142.961
Base-Backbone interact. energy: -0.665
local terms energy: -229.934349
where:
bonds (distance) C4'-P energy: -53.474
bonds (distance) P-C4' energy: -53.807
flat angles C4'-P-C4' energy: -62.312
flat angles P-C4'-P energy: -40.964
tors. eta vs tors. theta energy: -19.377
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 433
Temperature: 1.250000
Total energy: -319.242702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.242702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.242702 (E_RNA)
where:
Base-Base interactions energy: -110.924
where: short stacking energy: -96.304
Base-Backbone interact. energy: 0.603
local terms energy: -208.921860
where:
bonds (distance) C4'-P energy: -42.430
bonds (distance) P-C4' energy: -66.753
flat angles C4'-P-C4' energy: -55.047
flat angles P-C4'-P energy: -45.827
tors. eta vs tors. theta energy: 1.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 433
Temperature: 1.300000
Total energy: -285.364230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.364230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.364230 (E_RNA)
where:
Base-Base interactions energy: -86.111
where: short stacking energy: -51.378
Base-Backbone interact. energy: -1.898
local terms energy: -197.354816
where:
bonds (distance) C4'-P energy: -64.201
bonds (distance) P-C4' energy: -55.109
flat angles C4'-P-C4' energy: -54.228
flat angles P-C4'-P energy: -37.859
tors. eta vs tors. theta energy: 14.042
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: 10
=====================================
Write number: 433
Temperature: 1.350000
Total energy: -269.798199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.798199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.798199 (E_RNA)
where:
Base-Base interactions energy: -89.916
where: short stacking energy: -74.876
Base-Backbone interact. energy: -0.798
local terms energy: -179.084665
where:
bonds (distance) C4'-P energy: -61.057
bonds (distance) P-C4' energy: -48.324
flat angles C4'-P-C4' energy: -55.043
flat angles P-C4'-P energy: -23.488
tors. eta vs tors. theta energy: 8.827
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: 1
=====================================
Write number: 434
Temperature: 0.900000
Total energy: -1106.061789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1106.061789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1106.061789 (E_RNA)
where:
Base-Base interactions energy: -734.259
where: short stacking energy: -334.593
Base-Backbone interact. energy: -2.865
local terms energy: -368.938217
where:
bonds (distance) C4'-P energy: -72.916
bonds (distance) P-C4' energy: -72.144
flat angles C4'-P-C4' energy: -70.373
flat angles P-C4'-P energy: -45.452
tors. eta vs tors. theta energy: -108.054
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: 4
=====================================
Write number: 434
Temperature: 0.950000
Total energy: -1083.335511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1083.335511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1083.335511 (E_RNA)
where:
Base-Base interactions energy: -711.966
where: short stacking energy: -320.335
Base-Backbone interact. energy: -3.578
local terms energy: -367.791439
where:
bonds (distance) C4'-P energy: -64.325
bonds (distance) P-C4' energy: -72.891
flat angles C4'-P-C4' energy: -65.243
flat angles P-C4'-P energy: -55.966
tors. eta vs tors. theta energy: -109.366
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: 5
=====================================
Write number: 434
Temperature: 1.000000
Total energy: -883.964704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -883.964704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -883.964704 (E_RNA)
where:
Base-Base interactions energy: -553.857
where: short stacking energy: -252.827
Base-Backbone interact. energy: 3.836
local terms energy: -333.944026
where:
bonds (distance) C4'-P energy: -73.136
bonds (distance) P-C4' energy: -63.235
flat angles C4'-P-C4' energy: -75.750
flat angles P-C4'-P energy: -45.724
tors. eta vs tors. theta energy: -76.100
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: 434
Temperature: 1.050000
Total energy: -871.174860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -871.174860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -871.174860 (E_RNA)
where:
Base-Base interactions energy: -550.901
where: short stacking energy: -234.363
Base-Backbone interact. energy: 0.053
local terms energy: -320.326258
where:
bonds (distance) C4'-P energy: -70.773
bonds (distance) P-C4' energy: -69.157
flat angles C4'-P-C4' energy: -70.363
flat angles P-C4'-P energy: -48.213
tors. eta vs tors. theta energy: -61.820
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 434
Temperature: 1.100000
Total energy: -696.474524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -696.474524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -696.474524 (E_RNA)
where:
Base-Base interactions energy: -424.299
where: short stacking energy: -198.491
Base-Backbone interact. energy: -0.485
local terms energy: -271.690742
where:
bonds (distance) C4'-P energy: -63.699
bonds (distance) P-C4' energy: -49.989
flat angles C4'-P-C4' energy: -70.025
flat angles P-C4'-P energy: -31.304
tors. eta vs tors. theta energy: -56.673
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 434
Temperature: 1.150000
Total energy: -575.390263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -575.390263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -575.390263 (E_RNA)
where:
Base-Base interactions energy: -329.674
where: short stacking energy: -164.581
Base-Backbone interact. energy: -1.077
local terms energy: -244.638945
where:
bonds (distance) C4'-P energy: -53.242
bonds (distance) P-C4' energy: -59.478
flat angles C4'-P-C4' energy: -63.953
flat angles P-C4'-P energy: -40.560
tors. eta vs tors. theta energy: -27.406
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: 2
=====================================
Write number: 434
Temperature: 1.200000
Total energy: -461.138109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -461.138109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -461.138109 (E_RNA)
where:
Base-Base interactions energy: -223.099
where: short stacking energy: -131.842
Base-Backbone interact. energy: 0.802
local terms energy: -238.841571
where:
bonds (distance) C4'-P energy: -59.316
bonds (distance) P-C4' energy: -53.400
flat angles C4'-P-C4' energy: -62.959
flat angles P-C4'-P energy: -39.820
tors. eta vs tors. theta energy: -23.346
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 434
Temperature: 1.250000
Total energy: -338.630358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.630358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.630358 (E_RNA)
where:
Base-Base interactions energy: -124.909
where: short stacking energy: -106.765
Base-Backbone interact. energy: -0.394
local terms energy: -213.327555
where:
bonds (distance) C4'-P energy: -54.921
bonds (distance) P-C4' energy: -63.852
flat angles C4'-P-C4' energy: -53.391
flat angles P-C4'-P energy: -29.292
tors. eta vs tors. theta energy: -11.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 434
Temperature: 1.300000
Total energy: -307.619606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.619606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.619606 (E_RNA)
where:
Base-Base interactions energy: -97.267
where: short stacking energy: -92.018
Base-Backbone interact. energy: 1.962
local terms energy: -212.313813
where:
bonds (distance) C4'-P energy: -54.793
bonds (distance) P-C4' energy: -53.404
flat angles C4'-P-C4' energy: -51.283
flat angles P-C4'-P energy: -42.064
tors. eta vs tors. theta energy: -10.770
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 434
Temperature: 1.350000
Total energy: -290.729178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.729178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.729178 (E_RNA)
where:
Base-Base interactions energy: -105.193
where: short stacking energy: -65.259
Base-Backbone interact. energy: 0.259
local terms energy: -185.794984
where:
bonds (distance) C4'-P energy: -51.646
bonds (distance) P-C4' energy: -54.864
flat angles C4'-P-C4' energy: -49.452
flat angles P-C4'-P energy: -39.071
tors. eta vs tors. theta energy: 9.239
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 435
Temperature: 0.900000
Total energy: -1113.599860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1113.599860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1113.599860 (E_RNA)
where:
Base-Base interactions energy: -745.791
where: short stacking energy: -321.315
Base-Backbone interact. energy: -3.025
local terms energy: -364.783291
where:
bonds (distance) C4'-P energy: -64.343
bonds (distance) P-C4' energy: -71.635
flat angles C4'-P-C4' energy: -67.951
flat angles P-C4'-P energy: -48.612
tors. eta vs tors. theta energy: -112.242
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: 4
=====================================
Write number: 435
Temperature: 0.950000
Total energy: -1058.978343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1058.978343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1058.978343 (E_RNA)
where:
Base-Base interactions energy: -695.467
where: short stacking energy: -312.601
Base-Backbone interact. energy: -2.044
local terms energy: -361.467268
where:
bonds (distance) C4'-P energy: -68.004
bonds (distance) P-C4' energy: -73.355
flat angles C4'-P-C4' energy: -67.982
flat angles P-C4'-P energy: -48.481
tors. eta vs tors. theta energy: -103.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 435
Temperature: 1.000000
Total energy: -884.705053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -884.705053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -884.705053 (E_RNA)
where:
Base-Base interactions energy: -555.671
where: short stacking energy: -267.651
Base-Backbone interact. energy: 0.571
local terms energy: -329.605038
where:
bonds (distance) C4'-P energy: -68.191
bonds (distance) P-C4' energy: -65.590
flat angles C4'-P-C4' energy: -74.699
flat angles P-C4'-P energy: -43.308
tors. eta vs tors. theta energy: -77.817
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: 4, replica: 3
=====================================
Write number: 435
Temperature: 1.050000
Total energy: -850.682131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -850.682131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -850.682131 (E_RNA)
where:
Base-Base interactions energy: -551.446
where: short stacking energy: -270.937
Base-Backbone interact. energy: -0.830
local terms energy: -298.406437
where:
bonds (distance) C4'-P energy: -53.288
bonds (distance) P-C4' energy: -61.276
flat angles C4'-P-C4' energy: -70.317
flat angles P-C4'-P energy: -32.959
tors. eta vs tors. theta energy: -80.568
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: 6
=====================================
Write number: 435
Temperature: 1.100000
Total energy: -701.136053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -701.136053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -701.136053 (E_RNA)
where:
Base-Base interactions energy: -415.395
where: short stacking energy: -204.779
Base-Backbone interact. energy: -0.373
local terms energy: -285.368812
where:
bonds (distance) C4'-P energy: -64.479
bonds (distance) P-C4' energy: -57.751
flat angles C4'-P-C4' energy: -63.235
flat angles P-C4'-P energy: -40.804
tors. eta vs tors. theta energy: -59.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 435
Temperature: 1.150000
Total energy: -601.483549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -601.483549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -601.483549 (E_RNA)
where:
Base-Base interactions energy: -354.862
where: short stacking energy: -200.947
Base-Backbone interact. energy: -1.411
local terms energy: -245.211460
where:
bonds (distance) C4'-P energy: -48.197
bonds (distance) P-C4' energy: -60.514
flat angles C4'-P-C4' energy: -62.187
flat angles P-C4'-P energy: -37.004
tors. eta vs tors. theta energy: -37.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 435
Temperature: 1.200000
Total energy: -452.930250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -452.930250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -452.930250 (E_RNA)
where:
Base-Base interactions energy: -217.747
where: short stacking energy: -117.729
Base-Backbone interact. energy: 1.179
local terms energy: -236.362207
where:
bonds (distance) C4'-P energy: -70.415
bonds (distance) P-C4' energy: -71.511
flat angles C4'-P-C4' energy: -53.427
flat angles P-C4'-P energy: -33.809
tors. eta vs tors. theta energy: -7.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 435
Temperature: 1.250000
Total energy: -307.606760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.606760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.606760 (E_RNA)
where:
Base-Base interactions energy: -90.647
where: short stacking energy: -75.799
Base-Backbone interact. energy: -2.226
local terms energy: -214.733750
where:
bonds (distance) C4'-P energy: -73.309
bonds (distance) P-C4' energy: -66.324
flat angles C4'-P-C4' energy: -54.564
flat angles P-C4'-P energy: -14.458
tors. eta vs tors. theta energy: -6.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 435
Temperature: 1.300000
Total energy: -298.984233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.984233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.984233 (E_RNA)
where:
Base-Base interactions energy: -97.282
where: short stacking energy: -68.955
Base-Backbone interact. energy: -0.773
local terms energy: -200.929028
where:
bonds (distance) C4'-P energy: -65.919
bonds (distance) P-C4' energy: -64.474
flat angles C4'-P-C4' energy: -47.042
flat angles P-C4'-P energy: -30.398
tors. eta vs tors. theta energy: 6.904
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: 435
Temperature: 1.350000
Total energy: -286.417612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.417612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.417612 (E_RNA)
where:
Base-Base interactions energy: -92.100
where: short stacking energy: -77.973
Base-Backbone interact. energy: -1.507
local terms energy: -192.810965
where:
bonds (distance) C4'-P energy: -46.542
bonds (distance) P-C4' energy: -63.013
flat angles C4'-P-C4' energy: -48.348
flat angles P-C4'-P energy: -33.911
tors. eta vs tors. theta energy: -0.996
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 436
Temperature: 0.900000
Total energy: -1084.750358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1084.750358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1084.750358 (E_RNA)
where:
Base-Base interactions energy: -739.118
where: short stacking energy: -340.505
Base-Backbone interact. energy: -0.401
local terms energy: -345.230911
where:
bonds (distance) C4'-P energy: -64.433
bonds (distance) P-C4' energy: -60.945
flat angles C4'-P-C4' energy: -66.290
flat angles P-C4'-P energy: -44.962
tors. eta vs tors. theta energy: -108.601
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: 1
=====================================
Write number: 436
Temperature: 0.950000
Total energy: -1084.685477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1084.685477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1084.685477 (E_RNA)
where:
Base-Base interactions energy: -718.846
where: short stacking energy: -329.007
Base-Backbone interact. energy: -0.892
local terms energy: -364.947878
where:
bonds (distance) C4'-P energy: -70.013
bonds (distance) P-C4' energy: -71.112
flat angles C4'-P-C4' energy: -76.378
flat angles P-C4'-P energy: -45.101
tors. eta vs tors. theta energy: -102.345
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: 3, replica: 5
=====================================
Write number: 436
Temperature: 1.000000
Total energy: -897.093697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -897.093697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -897.093697 (E_RNA)
where:
Base-Base interactions energy: -560.377
where: short stacking energy: -251.611
Base-Backbone interact. energy: -0.867
local terms energy: -335.849791
where:
bonds (distance) C4'-P energy: -60.340
bonds (distance) P-C4' energy: -76.641
flat angles C4'-P-C4' energy: -73.910
flat angles P-C4'-P energy: -46.328
tors. eta vs tors. theta energy: -78.630
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: 4, replica: 3
=====================================
Write number: 436
Temperature: 1.050000
Total energy: -877.280337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -877.280337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -877.280337 (E_RNA)
where:
Base-Base interactions energy: -553.289
where: short stacking energy: -266.787
Base-Backbone interact. energy: -0.714
local terms energy: -323.277860
where:
bonds (distance) C4'-P energy: -67.510
bonds (distance) P-C4' energy: -71.060
flat angles C4'-P-C4' energy: -65.603
flat angles P-C4'-P energy: -38.737
tors. eta vs tors. theta energy: -80.368
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: 6
=====================================
Write number: 436
Temperature: 1.100000
Total energy: -725.157839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -725.157839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -725.157839 (E_RNA)
where:
Base-Base interactions energy: -426.434
where: short stacking energy: -213.096
Base-Backbone interact. energy: -0.765
local terms energy: -297.958447
where:
bonds (distance) C4'-P energy: -76.788
bonds (distance) P-C4' energy: -61.050
flat angles C4'-P-C4' energy: -65.287
flat angles P-C4'-P energy: -41.017
tors. eta vs tors. theta energy: -53.816
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: 436
Temperature: 1.150000
Total energy: -604.790302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -604.790302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -604.790302 (E_RNA)
where:
Base-Base interactions energy: -354.507
where: short stacking energy: -160.437
Base-Backbone interact. energy: 2.576
local terms energy: -252.858599
where:
bonds (distance) C4'-P energy: -60.689
bonds (distance) P-C4' energy: -67.602
flat angles C4'-P-C4' energy: -50.742
flat angles P-C4'-P energy: -42.304
tors. eta vs tors. theta energy: -31.522
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 436
Temperature: 1.200000
Total energy: -405.549071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -405.549071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -405.549071 (E_RNA)
where:
Base-Base interactions energy: -191.847
where: short stacking energy: -121.250
Base-Backbone interact. energy: 1.068
local terms energy: -214.770334
where:
bonds (distance) C4'-P energy: -55.006
bonds (distance) P-C4' energy: -60.097
flat angles C4'-P-C4' energy: -50.765
flat angles P-C4'-P energy: -40.048
tors. eta vs tors. theta energy: -8.854
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: 8, replica: 8
=====================================
Write number: 436
Temperature: 1.250000
Total energy: -407.361133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.361133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -407.361133 (E_RNA)
where:
Base-Base interactions energy: -192.471
where: short stacking energy: -107.162
Base-Backbone interact. energy: 0.044
local terms energy: -214.933997
where:
bonds (distance) C4'-P energy: -51.098
bonds (distance) P-C4' energy: -69.657
flat angles C4'-P-C4' energy: -67.069
flat angles P-C4'-P energy: -15.167
tors. eta vs tors. theta energy: -11.943
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: 9
=====================================
Write number: 436
Temperature: 1.300000
Total energy: -289.792693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.792693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.792693 (E_RNA)
where:
Base-Base interactions energy: -101.048
where: short stacking energy: -79.452
Base-Backbone interact. energy: -1.290
local terms energy: -187.455112
where:
bonds (distance) C4'-P energy: -59.168
bonds (distance) P-C4' energy: -55.740
flat angles C4'-P-C4' energy: -55.844
flat angles P-C4'-P energy: -30.003
tors. eta vs tors. theta energy: 13.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 436
Temperature: 1.350000
Total energy: -262.050651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.050651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.050651 (E_RNA)
where:
Base-Base interactions energy: -78.708
where: short stacking energy: -58.759
Base-Backbone interact. energy: 3.603
local terms energy: -186.945861
where:
bonds (distance) C4'-P energy: -49.125
bonds (distance) P-C4' energy: -56.705
flat angles C4'-P-C4' energy: -60.989
flat angles P-C4'-P energy: -36.674
tors. eta vs tors. theta energy: 16.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 437
Temperature: 0.900000
Total energy: -1098.318137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1098.318137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1098.318137 (E_RNA)
where:
Base-Base interactions energy: -727.510
where: short stacking energy: -335.326
Base-Backbone interact. energy: -0.662
local terms energy: -370.145326
where:
bonds (distance) C4'-P energy: -66.304
bonds (distance) P-C4' energy: -68.503
flat angles C4'-P-C4' energy: -73.945
flat angles P-C4'-P energy: -46.960
tors. eta vs tors. theta energy: -114.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 437
Temperature: 0.950000
Total energy: -1090.968321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1090.968321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1090.968321 (E_RNA)
where:
Base-Base interactions energy: -731.661
where: short stacking energy: -320.106
Base-Backbone interact. energy: -0.063
local terms energy: -359.243893
where:
bonds (distance) C4'-P energy: -66.736
bonds (distance) P-C4' energy: -70.408
flat angles C4'-P-C4' energy: -68.617
flat angles P-C4'-P energy: -52.048
tors. eta vs tors. theta energy: -101.435
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 437
Temperature: 1.000000
Total energy: -870.231996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -870.231996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -870.231996 (E_RNA)
where:
Base-Base interactions energy: -537.392
where: short stacking energy: -245.462
Base-Backbone interact. energy: 0.964
local terms energy: -333.803492
where:
bonds (distance) C4'-P energy: -64.006
bonds (distance) P-C4' energy: -71.724
flat angles C4'-P-C4' energy: -77.623
flat angles P-C4'-P energy: -43.365
tors. eta vs tors. theta energy: -77.086
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: 4, replica: 3
=====================================
Write number: 437
Temperature: 1.050000
Total energy: -868.240695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -868.240695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -868.240695 (E_RNA)
where:
Base-Base interactions energy: -545.250
where: short stacking energy: -252.193
Base-Backbone interact. energy: -0.332
local terms energy: -322.658445
where:
bonds (distance) C4'-P energy: -48.857
bonds (distance) P-C4' energy: -62.054
flat angles C4'-P-C4' energy: -78.211
flat angles P-C4'-P energy: -49.726
tors. eta vs tors. theta energy: -83.811
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 437
Temperature: 1.100000
Total energy: -750.228313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -750.228313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -750.228313 (E_RNA)
where:
Base-Base interactions energy: -428.142
where: short stacking energy: -219.807
Base-Backbone interact. energy: -0.835
local terms energy: -321.251166
where:
bonds (distance) C4'-P energy: -68.107
bonds (distance) P-C4' energy: -69.209
flat angles C4'-P-C4' energy: -73.967
flat angles P-C4'-P energy: -50.898
tors. eta vs tors. theta energy: -59.071
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: 7
=====================================
Write number: 437
Temperature: 1.150000
Total energy: -580.923378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -580.923378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -580.923378 (E_RNA)
where:
Base-Base interactions energy: -341.501
where: short stacking energy: -166.019
Base-Backbone interact. energy: -1.207
local terms energy: -238.214596
where:
bonds (distance) C4'-P energy: -50.847
bonds (distance) P-C4' energy: -62.495
flat angles C4'-P-C4' energy: -63.673
flat angles P-C4'-P energy: -39.233
tors. eta vs tors. theta energy: -21.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 437
Temperature: 1.200000
Total energy: -451.534920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -451.534920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -451.534920 (E_RNA)
where:
Base-Base interactions energy: -240.595
where: short stacking energy: -142.761
Base-Backbone interact. energy: -1.486
local terms energy: -209.454416
where:
bonds (distance) C4'-P energy: -55.496
bonds (distance) P-C4' energy: -64.634
flat angles C4'-P-C4' energy: -57.359
flat angles P-C4'-P energy: -21.655
tors. eta vs tors. theta energy: -10.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 437
Temperature: 1.250000
Total energy: -334.885392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.885392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.885392 (E_RNA)
where:
Base-Base interactions energy: -123.419
where: short stacking energy: -115.540
Base-Backbone interact. energy: 1.876
local terms energy: -213.341909
where:
bonds (distance) C4'-P energy: -61.215
bonds (distance) P-C4' energy: -62.378
flat angles C4'-P-C4' energy: -53.508
flat angles P-C4'-P energy: -24.063
tors. eta vs tors. theta energy: -12.178
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: 8
=====================================
Write number: 437
Temperature: 1.300000
Total energy: -293.584070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.584070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.584070 (E_RNA)
where:
Base-Base interactions energy: -94.799
where: short stacking energy: -74.489
Base-Backbone interact. energy: 1.530
local terms energy: -200.315150
where:
bonds (distance) C4'-P energy: -54.988
bonds (distance) P-C4' energy: -61.274
flat angles C4'-P-C4' energy: -66.552
flat angles P-C4'-P energy: -27.225
tors. eta vs tors. theta energy: 9.724
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 437
Temperature: 1.350000
Total energy: -292.459255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.459255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.459255 (E_RNA)
where:
Base-Base interactions energy: -117.400
where: short stacking energy: -85.478
Base-Backbone interact. energy: -1.465
local terms energy: -173.594264
where:
bonds (distance) C4'-P energy: -51.564
bonds (distance) P-C4' energy: -69.453
flat angles C4'-P-C4' energy: -47.419
flat angles P-C4'-P energy: -11.418
tors. eta vs tors. theta energy: 6.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 438
Temperature: 0.900000
Total energy: -1115.916113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1115.916113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1115.916113 (E_RNA)
where:
Base-Base interactions energy: -738.858
where: short stacking energy: -331.044
Base-Backbone interact. energy: -1.112
local terms energy: -375.945413
where:
bonds (distance) C4'-P energy: -58.686
bonds (distance) P-C4' energy: -70.952
flat angles C4'-P-C4' energy: -81.675
flat angles P-C4'-P energy: -51.780
tors. eta vs tors. theta energy: -112.853
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 438
Temperature: 0.950000
Total energy: -1096.526781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1096.526781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1096.526781 (E_RNA)
where:
Base-Base interactions energy: -731.041
where: short stacking energy: -310.415
Base-Backbone interact. energy: 2.498
local terms energy: -367.984509
where:
bonds (distance) C4'-P energy: -74.320
bonds (distance) P-C4' energy: -70.614
flat angles C4'-P-C4' energy: -74.040
flat angles P-C4'-P energy: -44.065
tors. eta vs tors. theta energy: -104.945
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 438
Temperature: 1.000000
Total energy: -893.504210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -893.504210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -893.504210 (E_RNA)
where:
Base-Base interactions energy: -573.789
where: short stacking energy: -251.958
Base-Backbone interact. energy: -0.079
local terms energy: -319.635911
where:
bonds (distance) C4'-P energy: -66.952
bonds (distance) P-C4' energy: -54.721
flat angles C4'-P-C4' energy: -69.386
flat angles P-C4'-P energy: -47.776
tors. eta vs tors. theta energy: -80.801
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 438
Temperature: 1.050000
Total energy: -813.787434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -813.787434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -813.787434 (E_RNA)
where:
Base-Base interactions energy: -522.001
where: short stacking energy: -236.879
Base-Backbone interact. energy: -0.770
local terms energy: -291.015860
where:
bonds (distance) C4'-P energy: -56.788
bonds (distance) P-C4' energy: -61.281
flat angles C4'-P-C4' energy: -62.884
flat angles P-C4'-P energy: -38.578
tors. eta vs tors. theta energy: -71.485
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 438
Temperature: 1.100000
Total energy: -723.442802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -723.442802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -723.442802 (E_RNA)
where:
Base-Base interactions energy: -422.663
where: short stacking energy: -213.802
Base-Backbone interact. energy: -1.435
local terms energy: -299.344868
where:
bonds (distance) C4'-P energy: -68.517
bonds (distance) P-C4' energy: -62.511
flat angles C4'-P-C4' energy: -63.652
flat angles P-C4'-P energy: -42.142
tors. eta vs tors. theta energy: -62.523
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: 7
=====================================
Write number: 438
Temperature: 1.150000
Total energy: -542.224844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.224844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.224844 (E_RNA)
where:
Base-Base interactions energy: -296.069
where: short stacking energy: -154.964
Base-Backbone interact. energy: -1.200
local terms energy: -244.955797
where:
bonds (distance) C4'-P energy: -51.525
bonds (distance) P-C4' energy: -63.884
flat angles C4'-P-C4' energy: -60.813
flat angles P-C4'-P energy: -41.456
tors. eta vs tors. theta energy: -27.278
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 438
Temperature: 1.200000
Total energy: -478.306859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.306859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -478.306859 (E_RNA)
where:
Base-Base interactions energy: -230.866
where: short stacking energy: -130.606
Base-Backbone interact. energy: -1.359
local terms energy: -246.081994
where:
bonds (distance) C4'-P energy: -63.138
bonds (distance) P-C4' energy: -58.291
flat angles C4'-P-C4' energy: -67.187
flat angles P-C4'-P energy: -36.591
tors. eta vs tors. theta energy: -20.875
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 438
Temperature: 1.250000
Total energy: -325.651808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.651808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.651808 (E_RNA)
where:
Base-Base interactions energy: -111.186
where: short stacking energy: -90.092
Base-Backbone interact. energy: 1.653
local terms energy: -216.119082
where:
bonds (distance) C4'-P energy: -70.910
bonds (distance) P-C4' energy: -69.103
flat angles C4'-P-C4' energy: -50.729
flat angles P-C4'-P energy: -27.659
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: 10
=====================================
Write number: 438
Temperature: 1.300000
Total energy: -299.712121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.712121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.712121 (E_RNA)
where:
Base-Base interactions energy: -110.020
where: short stacking energy: -79.402
Base-Backbone interact. energy: 1.318
local terms energy: -191.010596
where:
bonds (distance) C4'-P energy: -44.412
bonds (distance) P-C4' energy: -60.988
flat angles C4'-P-C4' energy: -55.834
flat angles P-C4'-P energy: -32.913
tors. eta vs tors. theta energy: 3.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 438
Temperature: 1.350000
Total energy: -272.202826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.202826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.202826 (E_RNA)
where:
Base-Base interactions energy: -79.435
where: short stacking energy: -63.992
Base-Backbone interact. energy: -1.472
local terms energy: -191.296231
where:
bonds (distance) C4'-P energy: -59.100
bonds (distance) P-C4' energy: -59.107
flat angles C4'-P-C4' energy: -52.265
flat angles P-C4'-P energy: -24.758
tors. eta vs tors. theta energy: 3.935
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: 4
=====================================
Write number: 439
Temperature: 0.900000
Total energy: -1103.263681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1103.263681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1103.263681 (E_RNA)
where:
Base-Base interactions energy: -726.749
where: short stacking energy: -324.957
Base-Backbone interact. energy: 2.559
local terms energy: -379.072812
where:
bonds (distance) C4'-P energy: -83.387
bonds (distance) P-C4' energy: -52.225
flat angles C4'-P-C4' energy: -79.383
flat angles P-C4'-P energy: -49.278
tors. eta vs tors. theta energy: -114.800
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: 1
=====================================
Write number: 439
Temperature: 0.950000
Total energy: -1092.113685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1092.113685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1092.113685 (E_RNA)
where:
Base-Base interactions energy: -717.537
where: short stacking energy: -314.725
Base-Backbone interact. energy: -2.401
local terms energy: -372.176302
where:
bonds (distance) C4'-P energy: -79.918
bonds (distance) P-C4' energy: -64.379
flat angles C4'-P-C4' energy: -75.288
flat angles P-C4'-P energy: -44.888
tors. eta vs tors. theta energy: -107.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 439
Temperature: 1.000000
Total energy: -916.814702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -916.814702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -916.814702 (E_RNA)
where:
Base-Base interactions energy: -591.518
where: short stacking energy: -278.506
Base-Backbone interact. energy: -0.790
local terms energy: -324.506984
where:
bonds (distance) C4'-P energy: -66.013
bonds (distance) P-C4' energy: -62.155
flat angles C4'-P-C4' energy: -65.183
flat angles P-C4'-P energy: -48.593
tors. eta vs tors. theta energy: -82.562
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 439
Temperature: 1.050000
Total energy: -820.083570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -820.083570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -820.083570 (E_RNA)
where:
Base-Base interactions energy: -525.256
where: short stacking energy: -224.692
Base-Backbone interact. energy: -2.344
local terms energy: -292.482737
where:
bonds (distance) C4'-P energy: -71.148
bonds (distance) P-C4' energy: -58.215
flat angles C4'-P-C4' energy: -64.392
flat angles P-C4'-P energy: -42.551
tors. eta vs tors. theta energy: -56.176
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 439
Temperature: 1.100000
Total energy: -726.167194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -726.167194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -726.167194 (E_RNA)
where:
Base-Base interactions energy: -423.970
where: short stacking energy: -224.640
Base-Backbone interact. energy: -1.918
local terms energy: -300.279297
where:
bonds (distance) C4'-P energy: -59.948
bonds (distance) P-C4' energy: -73.242
flat angles C4'-P-C4' energy: -65.137
flat angles P-C4'-P energy: -37.974
tors. eta vs tors. theta energy: -63.978
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: 7
=====================================
Write number: 439
Temperature: 1.150000
Total energy: -527.317891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.317891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.317891 (E_RNA)
where:
Base-Base interactions energy: -283.494
where: short stacking energy: -131.524
Base-Backbone interact. energy: -3.054
local terms energy: -240.770025
where:
bonds (distance) C4'-P energy: -58.019
bonds (distance) P-C4' energy: -67.946
flat angles C4'-P-C4' energy: -56.938
flat angles P-C4'-P energy: -39.761
tors. eta vs tors. theta energy: -18.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 439
Temperature: 1.200000
Total energy: -440.923107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -440.923107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -440.923107 (E_RNA)
where:
Base-Base interactions energy: -209.045
where: short stacking energy: -131.854
Base-Backbone interact. energy: 0.228
local terms energy: -232.106497
where:
bonds (distance) C4'-P energy: -60.151
bonds (distance) P-C4' energy: -61.422
flat angles C4'-P-C4' energy: -60.972
flat angles P-C4'-P energy: -35.590
tors. eta vs tors. theta energy: -13.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 439
Temperature: 1.250000
Total energy: -321.674957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.674957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.674957 (E_RNA)
where:
Base-Base interactions energy: -111.415
where: short stacking energy: -78.084
Base-Backbone interact. energy: -0.070
local terms energy: -210.190346
where:
bonds (distance) C4'-P energy: -66.345
bonds (distance) P-C4' energy: -51.506
flat angles C4'-P-C4' energy: -56.549
flat angles P-C4'-P energy: -36.257
tors. eta vs tors. theta energy: 0.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 439
Temperature: 1.300000
Total energy: -309.547472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.547472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.547472 (E_RNA)
where:
Base-Base interactions energy: -133.020
where: short stacking energy: -87.799
Base-Backbone interact. energy: 1.272
local terms energy: -177.799727
where:
bonds (distance) C4'-P energy: -56.051
bonds (distance) P-C4' energy: -61.314
flat angles C4'-P-C4' energy: -46.870
flat angles P-C4'-P energy: -23.621
tors. eta vs tors. theta energy: 10.056
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 439
Temperature: 1.350000
Total energy: -271.684296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.684296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.684296 (E_RNA)
where:
Base-Base interactions energy: -83.769
where: short stacking energy: -77.409
Base-Backbone interact. energy: 2.325
local terms energy: -190.240470
where:
bonds (distance) C4'-P energy: -56.560
bonds (distance) P-C4' energy: -55.749
flat angles C4'-P-C4' energy: -53.968
flat angles P-C4'-P energy: -30.700
tors. eta vs tors. theta energy: 6.737
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 440
Temperature: 0.900000
Total energy: -1079.347792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1079.347792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1079.347792 (E_RNA)
where:
Base-Base interactions energy: -710.065
where: short stacking energy: -314.984
Base-Backbone interact. energy: -4.192
local terms energy: -365.090219
where:
bonds (distance) C4'-P energy: -58.224
bonds (distance) P-C4' energy: -73.289
flat angles C4'-P-C4' energy: -82.409
flat angles P-C4'-P energy: -44.482
tors. eta vs tors. theta energy: -106.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 440
Temperature: 0.950000
Total energy: -1079.591990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1079.591990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1079.591990 (E_RNA)
where:
Base-Base interactions energy: -706.314
where: short stacking energy: -303.877
Base-Backbone interact. energy: -0.514
local terms energy: -372.764078
where:
bonds (distance) C4'-P energy: -58.458
bonds (distance) P-C4' energy: -80.409
flat angles C4'-P-C4' energy: -67.112
flat angles P-C4'-P energy: -52.853
tors. eta vs tors. theta energy: -113.932
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 440
Temperature: 1.000000
Total energy: -944.441316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -944.441316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -944.441316 (E_RNA)
where:
Base-Base interactions energy: -595.347
where: short stacking energy: -304.679
Base-Backbone interact. energy: -0.509
local terms energy: -348.585867
where:
bonds (distance) C4'-P energy: -66.610
bonds (distance) P-C4' energy: -70.222
flat angles C4'-P-C4' energy: -77.192
flat angles P-C4'-P energy: -46.548
tors. eta vs tors. theta energy: -88.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 440
Temperature: 1.050000
Total energy: -785.459265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -785.459265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -785.459265 (E_RNA)
where:
Base-Base interactions energy: -478.125
where: short stacking energy: -227.940
Base-Backbone interact. energy: -0.235
local terms energy: -307.098697
where:
bonds (distance) C4'-P energy: -60.507
bonds (distance) P-C4' energy: -74.476
flat angles C4'-P-C4' energy: -73.571
flat angles P-C4'-P energy: -38.575
tors. eta vs tors. theta energy: -59.970
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: 6
=====================================
Write number: 440
Temperature: 1.100000
Total energy: -703.812535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -703.812535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -703.812535 (E_RNA)
where:
Base-Base interactions energy: -421.503
where: short stacking energy: -213.267
Base-Backbone interact. energy: -1.018
local terms energy: -281.291879
where:
bonds (distance) C4'-P energy: -54.707
bonds (distance) P-C4' energy: -70.936
flat angles C4'-P-C4' energy: -58.194
flat angles P-C4'-P energy: -40.021
tors. eta vs tors. theta energy: -57.434
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 440
Temperature: 1.150000
Total energy: -572.345891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -572.345891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -572.345891 (E_RNA)
where:
Base-Base interactions energy: -325.675
where: short stacking energy: -147.196
Base-Backbone interact. energy: -2.850
local terms energy: -243.820694
where:
bonds (distance) C4'-P energy: -61.776
bonds (distance) P-C4' energy: -69.451
flat angles C4'-P-C4' energy: -60.916
flat angles P-C4'-P energy: -27.315
tors. eta vs tors. theta energy: -24.363
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: 2
=====================================
Write number: 440
Temperature: 1.200000
Total energy: -467.545328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -467.545328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -467.545328 (E_RNA)
where:
Base-Base interactions energy: -229.519
where: short stacking energy: -115.882
Base-Backbone interact. energy: -2.198
local terms energy: -235.828742
where:
bonds (distance) C4'-P energy: -71.526
bonds (distance) P-C4' energy: -61.004
flat angles C4'-P-C4' energy: -64.305
flat angles P-C4'-P energy: -30.713
tors. eta vs tors. theta energy: -8.281
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: 10
=====================================
Write number: 440
Temperature: 1.250000
Total energy: -381.169683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -381.169683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -381.169683 (E_RNA)
where:
Base-Base interactions energy: -158.180
where: short stacking energy: -98.624
Base-Backbone interact. energy: 0.372
local terms energy: -223.361519
where:
bonds (distance) C4'-P energy: -63.821
bonds (distance) P-C4' energy: -66.279
flat angles C4'-P-C4' energy: -44.410
flat angles P-C4'-P energy: -40.397
tors. eta vs tors. theta energy: -8.455
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: 9
=====================================
Write number: 440
Temperature: 1.300000
Total energy: -302.567806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.567806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.567806 (E_RNA)
where:
Base-Base interactions energy: -105.865
where: short stacking energy: -82.127
Base-Backbone interact. energy: 3.685
local terms energy: -200.387756
where:
bonds (distance) C4'-P energy: -56.852
bonds (distance) P-C4' energy: -61.208
flat angles C4'-P-C4' energy: -47.823
flat angles P-C4'-P energy: -31.238
tors. eta vs tors. theta energy: -3.266
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 440
Temperature: 1.350000
Total energy: -286.266267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.266267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.266267 (E_RNA)
where:
Base-Base interactions energy: -101.164
where: short stacking energy: -70.009
Base-Backbone interact. energy: -2.134
local terms energy: -182.967662
where:
bonds (distance) C4'-P energy: -53.167
bonds (distance) P-C4' energy: -61.874
flat angles C4'-P-C4' energy: -49.522
flat angles P-C4'-P energy: -40.596
tors. eta vs tors. theta energy: 22.193
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: 1
=====================================
Write number: 441
Temperature: 0.900000
Total energy: -1072.231967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1072.231967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1072.231967 (E_RNA)
where:
Base-Base interactions energy: -696.480
where: short stacking energy: -309.306
Base-Backbone interact. energy: -1.951
local terms energy: -373.800941
where:
bonds (distance) C4'-P energy: -80.502
bonds (distance) P-C4' energy: -58.846
flat angles C4'-P-C4' energy: -77.100
flat angles P-C4'-P energy: -54.630
tors. eta vs tors. theta energy: -102.723
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 441
Temperature: 0.950000
Total energy: -1072.985514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1072.985514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1072.985514 (E_RNA)
where:
Base-Base interactions energy: -712.743
where: short stacking energy: -325.456
Base-Backbone interact. energy: -0.932
local terms energy: -359.310524
where:
bonds (distance) C4'-P energy: -75.573
bonds (distance) P-C4' energy: -56.705
flat angles C4'-P-C4' energy: -73.154
flat angles P-C4'-P energy: -41.269
tors. eta vs tors. theta energy: -112.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 441
Temperature: 1.000000
Total energy: -943.438856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -943.438856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -943.438856 (E_RNA)
where:
Base-Base interactions energy: -590.998
where: short stacking energy: -279.688
Base-Backbone interact. energy: -0.860
local terms energy: -351.580478
where:
bonds (distance) C4'-P energy: -71.589
bonds (distance) P-C4' energy: -75.740
flat angles C4'-P-C4' energy: -64.223
flat angles P-C4'-P energy: -53.907
tors. eta vs tors. theta energy: -86.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 441
Temperature: 1.050000
Total energy: -794.617069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -794.617069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -794.617069 (E_RNA)
where:
Base-Base interactions energy: -479.806
where: short stacking energy: -250.596
Base-Backbone interact. energy: -1.587
local terms energy: -313.223964
where:
bonds (distance) C4'-P energy: -72.199
bonds (distance) P-C4' energy: -60.217
flat angles C4'-P-C4' energy: -62.567
flat angles P-C4'-P energy: -43.618
tors. eta vs tors. theta energy: -74.623
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 441
Temperature: 1.100000
Total energy: -710.417565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -710.417565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -710.417565 (E_RNA)
where:
Base-Base interactions energy: -428.022
where: short stacking energy: -198.046
Base-Backbone interact. energy: -0.565
local terms energy: -281.830453
where:
bonds (distance) C4'-P energy: -59.553
bonds (distance) P-C4' energy: -65.825
flat angles C4'-P-C4' energy: -68.389
flat angles P-C4'-P energy: -43.542
tors. eta vs tors. theta energy: -44.522
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 441
Temperature: 1.150000
Total energy: -548.218702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.218702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.218702 (E_RNA)
where:
Base-Base interactions energy: -293.935
where: short stacking energy: -167.512
Base-Backbone interact. energy: -1.258
local terms energy: -253.025802
where:
bonds (distance) C4'-P energy: -59.061
bonds (distance) P-C4' energy: -62.152
flat angles C4'-P-C4' energy: -54.057
flat angles P-C4'-P energy: -41.384
tors. eta vs tors. theta energy: -36.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 441
Temperature: 1.200000
Total energy: -445.264838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -445.264838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -445.264838 (E_RNA)
where:
Base-Base interactions energy: -205.245
where: short stacking energy: -111.003
Base-Backbone interact. energy: 3.450
local terms energy: -243.469415
where:
bonds (distance) C4'-P energy: -61.535
bonds (distance) P-C4' energy: -61.999
flat angles C4'-P-C4' energy: -69.185
flat angles P-C4'-P energy: -36.610
tors. eta vs tors. theta energy: -14.141
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: 10
=====================================
Write number: 441
Temperature: 1.250000
Total energy: -359.588231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.588231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.588231 (E_RNA)
where:
Base-Base interactions energy: -159.907
where: short stacking energy: -114.484
Base-Backbone interact. energy: -2.056
local terms energy: -197.625788
where:
bonds (distance) C4'-P energy: -64.784
bonds (distance) P-C4' energy: -45.655
flat angles C4'-P-C4' energy: -40.429
flat angles P-C4'-P energy: -46.075
tors. eta vs tors. theta energy: -0.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 441
Temperature: 1.300000
Total energy: -307.744801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.744801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.744801 (E_RNA)
where:
Base-Base interactions energy: -102.513
where: short stacking energy: -80.803
Base-Backbone interact. energy: -3.989
local terms energy: -201.242819
where:
bonds (distance) C4'-P energy: -47.904
bonds (distance) P-C4' energy: -67.393
flat angles C4'-P-C4' energy: -49.054
flat angles P-C4'-P energy: -39.634
tors. eta vs tors. theta energy: 2.742
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 441
Temperature: 1.350000
Total energy: -268.605012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.605012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.605012 (E_RNA)
where:
Base-Base interactions energy: -92.570
where: short stacking energy: -62.413
Base-Backbone interact. energy: -1.855
local terms energy: -174.179934
where:
bonds (distance) C4'-P energy: -59.020
bonds (distance) P-C4' energy: -63.717
flat angles C4'-P-C4' energy: -35.680
flat angles P-C4'-P energy: -37.343
tors. eta vs tors. theta energy: 21.580
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 442
Temperature: 0.900000
Total energy: -1111.825276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1111.825276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1111.825276 (E_RNA)
where:
Base-Base interactions energy: -733.856
where: short stacking energy: -324.840
Base-Backbone interact. energy: -4.042
local terms energy: -373.927165
where:
bonds (distance) C4'-P energy: -72.620
bonds (distance) P-C4' energy: -70.229
flat angles C4'-P-C4' energy: -74.186
flat angles P-C4'-P energy: -47.792
tors. eta vs tors. theta energy: -109.101
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 442
Temperature: 0.950000
Total energy: -1078.301070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1078.301070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1078.301070 (E_RNA)
where:
Base-Base interactions energy: -712.770
where: short stacking energy: -312.628
Base-Backbone interact. energy: 0.129
local terms energy: -365.660699
where:
bonds (distance) C4'-P energy: -67.449
bonds (distance) P-C4' energy: -68.049
flat angles C4'-P-C4' energy: -73.467
flat angles P-C4'-P energy: -47.286
tors. eta vs tors. theta energy: -109.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 442
Temperature: 1.000000
Total energy: -931.234182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -931.234182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -931.234182 (E_RNA)
where:
Base-Base interactions energy: -588.506
where: short stacking energy: -278.856
Base-Backbone interact. energy: -0.893
local terms energy: -341.835077
where:
bonds (distance) C4'-P energy: -67.343
bonds (distance) P-C4' energy: -74.715
flat angles C4'-P-C4' energy: -75.594
flat angles P-C4'-P energy: -40.292
tors. eta vs tors. theta energy: -83.891
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 442
Temperature: 1.050000
Total energy: -777.344021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -777.344021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -777.344021 (E_RNA)
where:
Base-Base interactions energy: -457.493
where: short stacking energy: -253.910
Base-Backbone interact. energy: -2.128
local terms energy: -317.723128
where:
bonds (distance) C4'-P energy: -71.351
bonds (distance) P-C4' energy: -66.414
flat angles C4'-P-C4' energy: -57.066
flat angles P-C4'-P energy: -42.206
tors. eta vs tors. theta energy: -80.686
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: 442
Temperature: 1.100000
Total energy: -759.436177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -759.436177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -759.436177 (E_RNA)
where:
Base-Base interactions energy: -441.026
where: short stacking energy: -223.392
Base-Backbone interact. energy: 0.413
local terms energy: -318.823424
where:
bonds (distance) C4'-P energy: -72.490
bonds (distance) P-C4' energy: -58.698
flat angles C4'-P-C4' energy: -72.889
flat angles P-C4'-P energy: -50.183
tors. eta vs tors. theta energy: -64.565
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 442
Temperature: 1.150000
Total energy: -562.134552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -562.134552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -562.134552 (E_RNA)
where:
Base-Base interactions energy: -319.459
where: short stacking energy: -145.203
Base-Backbone interact. energy: -0.557
local terms energy: -242.118647
where:
bonds (distance) C4'-P energy: -52.592
bonds (distance) P-C4' energy: -64.013
flat angles C4'-P-C4' energy: -57.514
flat angles P-C4'-P energy: -41.290
tors. eta vs tors. theta energy: -26.709
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 442
Temperature: 1.200000
Total energy: -422.731652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -422.731652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -422.731652 (E_RNA)
where:
Base-Base interactions energy: -224.412
where: short stacking energy: -117.696
Base-Backbone interact. energy: -0.883
local terms energy: -197.436462
where:
bonds (distance) C4'-P energy: -53.040
bonds (distance) P-C4' energy: -62.724
flat angles C4'-P-C4' energy: -51.706
flat angles P-C4'-P energy: -27.020
tors. eta vs tors. theta energy: -2.946
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 442
Temperature: 1.250000
Total energy: -360.815526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.815526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.815526 (E_RNA)
where:
Base-Base interactions energy: -151.296
where: short stacking energy: -110.756
Base-Backbone interact. energy: -2.321
local terms energy: -207.197819
where:
bonds (distance) C4'-P energy: -51.511
bonds (distance) P-C4' energy: -66.413
flat angles C4'-P-C4' energy: -47.483
flat angles P-C4'-P energy: -30.757
tors. eta vs tors. theta energy: -11.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 442
Temperature: 1.300000
Total energy: -284.724153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.724153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.724153 (E_RNA)
where:
Base-Base interactions energy: -90.688
where: short stacking energy: -61.818
Base-Backbone interact. energy: -1.509
local terms energy: -192.527225
where:
bonds (distance) C4'-P energy: -55.076
bonds (distance) P-C4' energy: -75.917
flat angles C4'-P-C4' energy: -45.688
flat angles P-C4'-P energy: -30.280
tors. eta vs tors. theta energy: 14.434
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 442
Temperature: 1.350000
Total energy: -289.854187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.854187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.854187 (E_RNA)
where:
Base-Base interactions energy: -89.127
where: short stacking energy: -70.017
Base-Backbone interact. energy: -0.287
local terms energy: -200.440586
where:
bonds (distance) C4'-P energy: -54.754
bonds (distance) P-C4' energy: -62.500
flat angles C4'-P-C4' energy: -59.313
flat angles P-C4'-P energy: -24.003
tors. eta vs tors. theta energy: 0.129
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 443
Temperature: 0.900000
Total energy: -1113.743783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1113.743783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1113.743783 (E_RNA)
where:
Base-Base interactions energy: -737.067
where: short stacking energy: -335.216
Base-Backbone interact. energy: -1.143
local terms energy: -375.534503
where:
bonds (distance) C4'-P energy: -71.787
bonds (distance) P-C4' energy: -69.999
flat angles C4'-P-C4' energy: -77.217
flat angles P-C4'-P energy: -46.460
tors. eta vs tors. theta energy: -110.072
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: 4
=====================================
Write number: 443
Temperature: 0.950000
Total energy: -1071.057053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1071.057053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1071.057053 (E_RNA)
where:
Base-Base interactions energy: -712.873
where: short stacking energy: -320.851
Base-Backbone interact. energy: -0.315
local terms energy: -357.869062
where:
bonds (distance) C4'-P energy: -63.009
bonds (distance) P-C4' energy: -68.623
flat angles C4'-P-C4' energy: -71.861
flat angles P-C4'-P energy: -46.506
tors. eta vs tors. theta energy: -107.870
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: 3
=====================================
Write number: 443
Temperature: 1.000000
Total energy: -927.192405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -927.192405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -927.192405 (E_RNA)
where:
Base-Base interactions energy: -613.221
where: short stacking energy: -283.827
Base-Backbone interact. energy: 0.816
local terms energy: -314.787192
where:
bonds (distance) C4'-P energy: -68.545
bonds (distance) P-C4' energy: -65.655
flat angles C4'-P-C4' energy: -60.835
flat angles P-C4'-P energy: -37.655
tors. eta vs tors. theta energy: -82.098
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 443
Temperature: 1.050000
Total energy: -771.649955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -771.649955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -771.649955 (E_RNA)
where:
Base-Base interactions energy: -462.632
where: short stacking energy: -247.743
Base-Backbone interact. energy: 1.787
local terms energy: -310.804362
where:
bonds (distance) C4'-P energy: -66.156
bonds (distance) P-C4' energy: -71.648
flat angles C4'-P-C4' energy: -67.001
flat angles P-C4'-P energy: -45.671
tors. eta vs tors. theta energy: -60.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 443
Temperature: 1.100000
Total energy: -774.160630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -774.160630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -774.160630 (E_RNA)
where:
Base-Base interactions energy: -480.593
where: short stacking energy: -230.159
Base-Backbone interact. energy: -1.110
local terms energy: -292.458324
where:
bonds (distance) C4'-P energy: -52.414
bonds (distance) P-C4' energy: -62.261
flat angles C4'-P-C4' energy: -63.106
flat angles P-C4'-P energy: -36.685
tors. eta vs tors. theta energy: -77.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 443
Temperature: 1.150000
Total energy: -506.795316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.795316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.795316 (E_RNA)
where:
Base-Base interactions energy: -250.212
where: short stacking energy: -131.705
Base-Backbone interact. energy: -0.314
local terms energy: -256.270063
where:
bonds (distance) C4'-P energy: -61.565
bonds (distance) P-C4' energy: -69.328
flat angles C4'-P-C4' energy: -55.847
flat angles P-C4'-P energy: -39.056
tors. eta vs tors. theta energy: -30.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 443
Temperature: 1.200000
Total energy: -491.576386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.576386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.576386 (E_RNA)
where:
Base-Base interactions energy: -238.542
where: short stacking energy: -141.076
Base-Backbone interact. energy: -1.287
local terms energy: -251.747283
where:
bonds (distance) C4'-P energy: -57.457
bonds (distance) P-C4' energy: -74.217
flat angles C4'-P-C4' energy: -55.960
flat angles P-C4'-P energy: -39.093
tors. eta vs tors. theta energy: -25.020
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: 8, replica: 10
=====================================
Write number: 443
Temperature: 1.250000
Total energy: -350.972714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.972714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.972714 (E_RNA)
where:
Base-Base interactions energy: -167.962
where: short stacking energy: -101.243
Base-Backbone interact. energy: -1.474
local terms energy: -181.536844
where:
bonds (distance) C4'-P energy: -61.076
bonds (distance) P-C4' energy: -51.493
flat angles C4'-P-C4' energy: -42.907
flat angles P-C4'-P energy: -34.797
tors. eta vs tors. theta energy: 8.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 443
Temperature: 1.300000
Total energy: -285.374151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.374151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.374151 (E_RNA)
where:
Base-Base interactions energy: -79.848
where: short stacking energy: -57.836
Base-Backbone interact. energy: -1.925
local terms energy: -203.601747
where:
bonds (distance) C4'-P energy: -59.657
bonds (distance) P-C4' energy: -60.491
flat angles C4'-P-C4' energy: -62.502
flat angles P-C4'-P energy: -26.526
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: 9
=====================================
Write number: 443
Temperature: 1.350000
Total energy: -290.939611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.939611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.939611 (E_RNA)
where:
Base-Base interactions energy: -98.860
where: short stacking energy: -84.293
Base-Backbone interact. energy: 1.902
local terms energy: -193.982079
where:
bonds (distance) C4'-P energy: -62.204
bonds (distance) P-C4' energy: -56.972
flat angles C4'-P-C4' energy: -55.080
flat angles P-C4'-P energy: -29.077
tors. eta vs tors. theta energy: 9.350
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 444
Temperature: 0.900000
Total energy: -1109.675929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1109.675929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1109.675929 (E_RNA)
where:
Base-Base interactions energy: -725.659
where: short stacking energy: -342.209
Base-Backbone interact. energy: -2.320
local terms energy: -381.696647
where:
bonds (distance) C4'-P energy: -73.142
bonds (distance) P-C4' energy: -66.326
flat angles C4'-P-C4' energy: -79.711
flat angles P-C4'-P energy: -46.803
tors. eta vs tors. theta energy: -115.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 444
Temperature: 0.950000
Total energy: -1076.143881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1076.143881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1076.143881 (E_RNA)
where:
Base-Base interactions energy: -708.803
where: short stacking energy: -321.760
Base-Backbone interact. energy: -0.809
local terms energy: -366.532353
where:
bonds (distance) C4'-P energy: -71.438
bonds (distance) P-C4' energy: -66.735
flat angles C4'-P-C4' energy: -81.188
flat angles P-C4'-P energy: -40.279
tors. eta vs tors. theta energy: -106.891
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 444
Temperature: 1.000000
Total energy: -942.129513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -942.129513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -942.129513 (E_RNA)
where:
Base-Base interactions energy: -613.743
where: short stacking energy: -286.526
Base-Backbone interact. energy: 0.507
local terms energy: -328.893684
where:
bonds (distance) C4'-P energy: -57.833
bonds (distance) P-C4' energy: -67.391
flat angles C4'-P-C4' energy: -69.941
flat angles P-C4'-P energy: -54.343
tors. eta vs tors. theta energy: -79.387
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: 6
=====================================
Write number: 444
Temperature: 1.050000
Total energy: -797.959863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -797.959863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -797.959863 (E_RNA)
where:
Base-Base interactions energy: -492.831
where: short stacking energy: -233.578
Base-Backbone interact. energy: 2.758
local terms energy: -307.886908
where:
bonds (distance) C4'-P energy: -58.182
bonds (distance) P-C4' energy: -65.303
flat angles C4'-P-C4' energy: -71.726
flat angles P-C4'-P energy: -41.788
tors. eta vs tors. theta energy: -70.888
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: 5
=====================================
Write number: 444
Temperature: 1.100000
Total energy: -756.077486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -756.077486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -756.077486 (E_RNA)
where:
Base-Base interactions energy: -452.687
where: short stacking energy: -210.075
Base-Backbone interact. energy: -1.069
local terms energy: -302.320703
where:
bonds (distance) C4'-P energy: -67.701
bonds (distance) P-C4' energy: -70.139
flat angles C4'-P-C4' energy: -67.824
flat angles P-C4'-P energy: -40.531
tors. eta vs tors. theta energy: -56.126
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 444
Temperature: 1.150000
Total energy: -498.769667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.769667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.769667 (E_RNA)
where:
Base-Base interactions energy: -253.210
where: short stacking energy: -126.435
Base-Backbone interact. energy: -1.086
local terms energy: -244.473390
where:
bonds (distance) C4'-P energy: -68.064
bonds (distance) P-C4' energy: -65.013
flat angles C4'-P-C4' energy: -48.143
flat angles P-C4'-P energy: -45.537
tors. eta vs tors. theta energy: -17.717
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: 7, replica: 2
=====================================
Write number: 444
Temperature: 1.200000
Total energy: -429.687687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -429.687687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -429.687687 (E_RNA)
where:
Base-Base interactions energy: -230.259
where: short stacking energy: -135.214
Base-Backbone interact. energy: -1.337
local terms energy: -198.091719
where:
bonds (distance) C4'-P energy: -42.942
bonds (distance) P-C4' energy: -54.466
flat angles C4'-P-C4' energy: -45.982
flat angles P-C4'-P energy: -38.710
tors. eta vs tors. theta energy: -15.992
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: 10
=====================================
Write number: 444
Temperature: 1.250000
Total energy: -356.923177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.923177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.923177 (E_RNA)
where:
Base-Base interactions energy: -144.433
where: short stacking energy: -89.833
Base-Backbone interact. energy: -1.410
local terms energy: -211.079645
where:
bonds (distance) C4'-P energy: -51.856
bonds (distance) P-C4' energy: -63.877
flat angles C4'-P-C4' energy: -56.892
flat angles P-C4'-P energy: -40.225
tors. eta vs tors. theta energy: 1.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 444
Temperature: 1.300000
Total energy: -301.695969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.695969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.695969 (E_RNA)
where:
Base-Base interactions energy: -108.959
where: short stacking energy: -62.421
Base-Backbone interact. energy: -2.640
local terms energy: -190.097031
where:
bonds (distance) C4'-P energy: -58.311
bonds (distance) P-C4' energy: -60.441
flat angles C4'-P-C4' energy: -49.459
flat angles P-C4'-P energy: -32.230
tors. eta vs tors. theta energy: 10.344
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: 8
=====================================
Write number: 444
Temperature: 1.350000
Total energy: -275.269731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.269731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.269731 (E_RNA)
where:
Base-Base interactions energy: -93.335
where: short stacking energy: -79.421
Base-Backbone interact. energy: -0.300
local terms energy: -181.634555
where:
bonds (distance) C4'-P energy: -52.605
bonds (distance) P-C4' energy: -77.717
flat angles C4'-P-C4' energy: -39.226
flat angles P-C4'-P energy: -17.270
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: 1, replica: 1
=====================================
Write number: 445
Temperature: 0.900000
Total energy: -1101.210670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1101.210670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1101.210670 (E_RNA)
where:
Base-Base interactions energy: -731.732
where: short stacking energy: -319.313
Base-Backbone interact. energy: 0.065
local terms energy: -369.543261
where:
bonds (distance) C4'-P energy: -66.395
bonds (distance) P-C4' energy: -73.246
flat angles C4'-P-C4' energy: -76.701
flat angles P-C4'-P energy: -49.210
tors. eta vs tors. theta energy: -103.991
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 445
Temperature: 0.950000
Total energy: -1087.045480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1087.045480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1087.045480 (E_RNA)
where:
Base-Base interactions energy: -705.346
where: short stacking energy: -309.193
Base-Backbone interact. energy: -1.431
local terms energy: -380.268541
where:
bonds (distance) C4'-P energy: -70.608
bonds (distance) P-C4' energy: -75.331
flat angles C4'-P-C4' energy: -72.273
flat angles P-C4'-P energy: -48.754
tors. eta vs tors. theta energy: -113.302
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 445
Temperature: 1.000000
Total energy: -931.842222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -931.842222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -931.842222 (E_RNA)
where:
Base-Base interactions energy: -593.756
where: short stacking energy: -253.083
Base-Backbone interact. energy: -0.717
local terms energy: -337.368710
where:
bonds (distance) C4'-P energy: -68.738
bonds (distance) P-C4' energy: -77.286
flat angles C4'-P-C4' energy: -69.828
flat angles P-C4'-P energy: -42.424
tors. eta vs tors. theta energy: -79.092
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 445
Temperature: 1.050000
Total energy: -834.163899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -834.163899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -834.163899 (E_RNA)
where:
Base-Base interactions energy: -523.625
where: short stacking energy: -242.632
Base-Backbone interact. energy: 0.556
local terms energy: -311.095244
where:
bonds (distance) C4'-P energy: -67.200
bonds (distance) P-C4' energy: -66.223
flat angles C4'-P-C4' energy: -57.355
flat angles P-C4'-P energy: -54.300
tors. eta vs tors. theta energy: -66.018
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 445
Temperature: 1.100000
Total energy: -769.951467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -769.951467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -769.951467 (E_RNA)
where:
Base-Base interactions energy: -469.676
where: short stacking energy: -254.396
Base-Backbone interact. energy: -0.376
local terms energy: -299.899508
where:
bonds (distance) C4'-P energy: -61.248
bonds (distance) P-C4' energy: -64.597
flat angles C4'-P-C4' energy: -65.215
flat angles P-C4'-P energy: -37.971
tors. eta vs tors. theta energy: -70.869
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 445
Temperature: 1.150000
Total energy: -625.245632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -625.245632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -625.245632 (E_RNA)
where:
Base-Base interactions energy: -348.124
where: short stacking energy: -188.951
Base-Backbone interact. energy: -0.344
local terms energy: -276.777301
where:
bonds (distance) C4'-P energy: -67.007
bonds (distance) P-C4' energy: -67.390
flat angles C4'-P-C4' energy: -57.896
flat angles P-C4'-P energy: -40.283
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: 7, replica: 2
=====================================
Write number: 445
Temperature: 1.200000
Total energy: -445.354458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -445.354458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -445.354458 (E_RNA)
where:
Base-Base interactions energy: -216.246
where: short stacking energy: -144.159
Base-Backbone interact. energy: 2.655
local terms energy: -231.763342
where:
bonds (distance) C4'-P energy: -43.006
bonds (distance) P-C4' energy: -66.473
flat angles C4'-P-C4' energy: -54.600
flat angles P-C4'-P energy: -39.110
tors. eta vs tors. theta energy: -28.575
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: 9
=====================================
Write number: 445
Temperature: 1.250000
Total energy: -299.623760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.623760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.623760 (E_RNA)
where:
Base-Base interactions energy: -98.296
where: short stacking energy: -82.663
Base-Backbone interact. energy: 0.517
local terms energy: -201.845361
where:
bonds (distance) C4'-P energy: -50.890
bonds (distance) P-C4' energy: -67.792
flat angles C4'-P-C4' energy: -56.508
flat angles P-C4'-P energy: -34.927
tors. eta vs tors. theta energy: 8.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 445
Temperature: 1.300000
Total energy: -301.993303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.993303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.993303 (E_RNA)
where:
Base-Base interactions energy: -113.469
where: short stacking energy: -88.211
Base-Backbone interact. energy: 0.338
local terms energy: -188.862635
where:
bonds (distance) C4'-P energy: -54.623
bonds (distance) P-C4' energy: -55.877
flat angles C4'-P-C4' energy: -52.094
flat angles P-C4'-P energy: -28.235
tors. eta vs tors. theta energy: 1.968
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 445
Temperature: 1.350000
Total energy: -267.511813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.511813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.511813 (E_RNA)
where:
Base-Base interactions energy: -74.335
where: short stacking energy: -58.463
Base-Backbone interact. energy: -1.795
local terms energy: -191.381790
where:
bonds (distance) C4'-P energy: -45.337
bonds (distance) P-C4' energy: -70.032
flat angles C4'-P-C4' energy: -50.521
flat angles P-C4'-P energy: -31.885
tors. eta vs tors. theta energy: 6.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 446
Temperature: 0.900000
Total energy: -1117.107477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1117.107477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1117.107477 (E_RNA)
where:
Base-Base interactions energy: -754.596
where: short stacking energy: -334.835
Base-Backbone interact. energy: -2.034
local terms energy: -360.476702
where:
bonds (distance) C4'-P energy: -71.551
bonds (distance) P-C4' energy: -72.655
flat angles C4'-P-C4' energy: -70.721
flat angles P-C4'-P energy: -37.516
tors. eta vs tors. theta energy: -108.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 446
Temperature: 0.950000
Total energy: -1058.830089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1058.830089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1058.830089 (E_RNA)
where:
Base-Base interactions energy: -713.428
where: short stacking energy: -329.523
Base-Backbone interact. energy: -1.187
local terms energy: -344.215015
where:
bonds (distance) C4'-P energy: -60.921
bonds (distance) P-C4' energy: -61.109
flat angles C4'-P-C4' energy: -70.415
flat angles P-C4'-P energy: -38.819
tors. eta vs tors. theta energy: -112.952
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 446
Temperature: 1.000000
Total energy: -938.768984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -938.768984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -938.768984 (E_RNA)
where:
Base-Base interactions energy: -618.184
where: short stacking energy: -287.971
Base-Backbone interact. energy: 0.007
local terms energy: -320.591376
where:
bonds (distance) C4'-P energy: -58.407
bonds (distance) P-C4' energy: -69.290
flat angles C4'-P-C4' energy: -55.515
flat angles P-C4'-P energy: -50.204
tors. eta vs tors. theta energy: -87.175
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 446
Temperature: 1.050000
Total energy: -815.557945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -815.557945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -815.557945 (E_RNA)
where:
Base-Base interactions energy: -505.751
where: short stacking energy: -229.006
Base-Backbone interact. energy: -1.372
local terms energy: -308.434663
where:
bonds (distance) C4'-P energy: -61.974
bonds (distance) P-C4' energy: -63.034
flat angles C4'-P-C4' energy: -77.009
flat angles P-C4'-P energy: -42.141
tors. eta vs tors. theta energy: -64.276
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 446
Temperature: 1.100000
Total energy: -764.506445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -764.506445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -764.506445 (E_RNA)
where:
Base-Base interactions energy: -459.549
where: short stacking energy: -213.111
Base-Backbone interact. energy: -1.449
local terms energy: -303.508653
where:
bonds (distance) C4'-P energy: -67.266
bonds (distance) P-C4' energy: -52.519
flat angles C4'-P-C4' energy: -69.537
flat angles P-C4'-P energy: -49.542
tors. eta vs tors. theta energy: -64.646
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 446
Temperature: 1.150000
Total energy: -587.988406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -587.988406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -587.988406 (E_RNA)
where:
Base-Base interactions energy: -337.151
where: short stacking energy: -162.091
Base-Backbone interact. energy: -1.090
local terms energy: -249.747055
where:
bonds (distance) C4'-P energy: -62.963
bonds (distance) P-C4' energy: -58.332
flat angles C4'-P-C4' energy: -62.485
flat angles P-C4'-P energy: -43.171
tors. eta vs tors. theta energy: -22.796
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: 2
=====================================
Write number: 446
Temperature: 1.200000
Total energy: -451.396256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -451.396256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -451.396256 (E_RNA)
where:
Base-Base interactions energy: -201.807
where: short stacking energy: -134.989
Base-Backbone interact. energy: 1.532
local terms energy: -251.121262
where:
bonds (distance) C4'-P energy: -64.887
bonds (distance) P-C4' energy: -54.881
flat angles C4'-P-C4' energy: -58.244
flat angles P-C4'-P energy: -46.746
tors. eta vs tors. theta energy: -26.363
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 446
Temperature: 1.250000
Total energy: -313.462546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.462546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.462546 (E_RNA)
where:
Base-Base interactions energy: -111.890
where: short stacking energy: -90.910
Base-Backbone interact. energy: -0.154
local terms energy: -201.418007
where:
bonds (distance) C4'-P energy: -56.649
bonds (distance) P-C4' energy: -61.167
flat angles C4'-P-C4' energy: -62.794
flat angles P-C4'-P energy: -25.051
tors. eta vs tors. theta energy: 4.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 446
Temperature: 1.300000
Total energy: -294.986781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.986781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.986781 (E_RNA)
where:
Base-Base interactions energy: -96.694
where: short stacking energy: -78.636
Base-Backbone interact. energy: -2.940
local terms energy: -195.352820
where:
bonds (distance) C4'-P energy: -53.798
bonds (distance) P-C4' energy: -70.502
flat angles C4'-P-C4' energy: -48.138
flat angles P-C4'-P energy: -28.554
tors. eta vs tors. theta energy: 5.638
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 446
Temperature: 1.350000
Total energy: -282.186841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.186841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.186841 (E_RNA)
where:
Base-Base interactions energy: -90.511
where: short stacking energy: -67.615
Base-Backbone interact. energy: -2.005
local terms energy: -189.670900
where:
bonds (distance) C4'-P energy: -54.118
bonds (distance) P-C4' energy: -74.206
flat angles C4'-P-C4' energy: -44.545
flat angles P-C4'-P energy: -26.128
tors. eta vs tors. theta energy: 9.326
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: 447
Temperature: 0.900000
Total energy: -1105.957107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1105.957107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1105.957107 (E_RNA)
where:
Base-Base interactions energy: -745.445
where: short stacking energy: -322.499
Base-Backbone interact. energy: -0.018
local terms energy: -360.494429
where:
bonds (distance) C4'-P energy: -66.443
bonds (distance) P-C4' energy: -68.232
flat angles C4'-P-C4' energy: -73.197
flat angles P-C4'-P energy: -46.398
tors. eta vs tors. theta energy: -106.223
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 447
Temperature: 0.950000
Total energy: -1059.110892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1059.110892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1059.110892 (E_RNA)
where:
Base-Base interactions energy: -692.736
where: short stacking energy: -331.907
Base-Backbone interact. energy: 1.928
local terms energy: -368.303393
where:
bonds (distance) C4'-P energy: -61.053
bonds (distance) P-C4' energy: -74.649
flat angles C4'-P-C4' energy: -71.755
flat angles P-C4'-P energy: -51.977
tors. eta vs tors. theta energy: -108.869
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: 3
=====================================
Write number: 447
Temperature: 1.000000
Total energy: -985.204206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -985.204206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -985.204206 (E_RNA)
where:
Base-Base interactions energy: -643.596
where: short stacking energy: -289.594
Base-Backbone interact. energy: 0.778
local terms energy: -342.386155
where:
bonds (distance) C4'-P energy: -74.103
bonds (distance) P-C4' energy: -70.135
flat angles C4'-P-C4' energy: -73.992
flat angles P-C4'-P energy: -38.948
tors. eta vs tors. theta energy: -85.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 447
Temperature: 1.050000
Total energy: -791.427509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -791.427509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -791.427509 (E_RNA)
where:
Base-Base interactions energy: -477.316
where: short stacking energy: -223.014
Base-Backbone interact. energy: -1.254
local terms energy: -312.857636
where:
bonds (distance) C4'-P energy: -60.993
bonds (distance) P-C4' energy: -71.350
flat angles C4'-P-C4' energy: -65.259
flat angles P-C4'-P energy: -44.686
tors. eta vs tors. theta energy: -70.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 447
Temperature: 1.100000
Total energy: -740.413490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -740.413490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -740.413490 (E_RNA)
where:
Base-Base interactions energy: -445.762
where: short stacking energy: -208.529
Base-Backbone interact. energy: -1.248
local terms energy: -293.403035
where:
bonds (distance) C4'-P energy: -52.974
bonds (distance) P-C4' energy: -67.379
flat angles C4'-P-C4' energy: -74.801
flat angles P-C4'-P energy: -38.554
tors. eta vs tors. theta energy: -59.695
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: 7
=====================================
Write number: 447
Temperature: 1.150000
Total energy: -570.677171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -570.677171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -570.677171 (E_RNA)
where:
Base-Base interactions energy: -313.796
where: short stacking energy: -183.723
Base-Backbone interact. energy: -0.827
local terms energy: -256.054635
where:
bonds (distance) C4'-P energy: -50.985
bonds (distance) P-C4' energy: -59.926
flat angles C4'-P-C4' energy: -64.617
flat angles P-C4'-P energy: -43.606
tors. eta vs tors. theta energy: -36.921
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 447
Temperature: 1.200000
Total energy: -428.839438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -428.839438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -428.839438 (E_RNA)
where:
Base-Base interactions energy: -222.006
where: short stacking energy: -123.670
Base-Backbone interact. energy: -1.739
local terms energy: -205.093686
where:
bonds (distance) C4'-P energy: -65.435
bonds (distance) P-C4' energy: -62.784
flat angles C4'-P-C4' energy: -41.320
flat angles P-C4'-P energy: -21.998
tors. eta vs tors. theta energy: -13.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 447
Temperature: 1.250000
Total energy: -347.208339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.208339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.208339 (E_RNA)
where:
Base-Base interactions energy: -130.126
where: short stacking energy: -79.822
Base-Backbone interact. energy: -0.544
local terms energy: -216.538613
where:
bonds (distance) C4'-P energy: -58.286
bonds (distance) P-C4' energy: -65.296
flat angles C4'-P-C4' energy: -60.480
flat angles P-C4'-P energy: -34.391
tors. eta vs tors. theta energy: 1.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 447
Temperature: 1.300000
Total energy: -298.537039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.537039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.537039 (E_RNA)
where:
Base-Base interactions energy: -95.860
where: short stacking energy: -68.886
Base-Backbone interact. energy: -0.195
local terms energy: -202.481924
where:
bonds (distance) C4'-P energy: -60.878
bonds (distance) P-C4' energy: -62.807
flat angles C4'-P-C4' energy: -56.848
flat angles P-C4'-P energy: -26.258
tors. eta vs tors. theta energy: 4.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 447
Temperature: 1.350000
Total energy: -259.502171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.502171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.502171 (E_RNA)
where:
Base-Base interactions energy: -80.687
where: short stacking energy: -59.735
Base-Backbone interact. energy: 0.112
local terms energy: -178.927424
where:
bonds (distance) C4'-P energy: -56.473
bonds (distance) P-C4' energy: -52.354
flat angles C4'-P-C4' energy: -47.293
flat angles P-C4'-P energy: -42.420
tors. eta vs tors. theta energy: 19.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 448
Temperature: 0.900000
Total energy: -1102.277628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1102.277628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1102.277628 (E_RNA)
where:
Base-Base interactions energy: -720.050
where: short stacking energy: -334.463
Base-Backbone interact. energy: -1.110
local terms energy: -381.117418
where:
bonds (distance) C4'-P energy: -68.201
bonds (distance) P-C4' energy: -72.615
flat angles C4'-P-C4' energy: -79.074
flat angles P-C4'-P energy: -46.861
tors. eta vs tors. theta energy: -114.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 448
Temperature: 0.950000
Total energy: -1098.333540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1098.333540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1098.333540 (E_RNA)
where:
Base-Base interactions energy: -725.005
where: short stacking energy: -311.495
Base-Backbone interact. energy: 0.179
local terms energy: -373.507825
where:
bonds (distance) C4'-P energy: -65.706
bonds (distance) P-C4' energy: -67.333
flat angles C4'-P-C4' energy: -79.529
flat angles P-C4'-P energy: -55.640
tors. eta vs tors. theta energy: -105.299
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 448
Temperature: 1.000000
Total energy: -961.145592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -961.145592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -961.145592 (E_RNA)
where:
Base-Base interactions energy: -617.356
where: short stacking energy: -254.328
Base-Backbone interact. energy: 1.169
local terms energy: -344.959081
where:
bonds (distance) C4'-P energy: -67.076
bonds (distance) P-C4' energy: -67.996
flat angles C4'-P-C4' energy: -71.139
flat angles P-C4'-P energy: -52.745
tors. eta vs tors. theta energy: -86.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 448
Temperature: 1.050000
Total energy: -793.100167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -793.100167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -793.100167 (E_RNA)
where:
Base-Base interactions energy: -498.387
where: short stacking energy: -222.658
Base-Backbone interact. energy: 3.920
local terms energy: -298.633269
where:
bonds (distance) C4'-P energy: -64.146
bonds (distance) P-C4' energy: -58.723
flat angles C4'-P-C4' energy: -71.600
flat angles P-C4'-P energy: -49.706
tors. eta vs tors. theta energy: -54.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 448
Temperature: 1.100000
Total energy: -781.605781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -781.605781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -781.605781 (E_RNA)
where:
Base-Base interactions energy: -485.586
where: short stacking energy: -235.746
Base-Backbone interact. energy: -1.517
local terms energy: -294.502753
where:
bonds (distance) C4'-P energy: -54.766
bonds (distance) P-C4' energy: -64.442
flat angles C4'-P-C4' energy: -63.940
flat angles P-C4'-P energy: -42.264
tors. eta vs tors. theta energy: -69.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 448
Temperature: 1.150000
Total energy: -552.860511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.860511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.860511 (E_RNA)
where:
Base-Base interactions energy: -312.763
where: short stacking energy: -154.619
Base-Backbone interact. energy: -1.551
local terms energy: -238.546752
where:
bonds (distance) C4'-P energy: -52.872
bonds (distance) P-C4' energy: -65.309
flat angles C4'-P-C4' energy: -46.120
flat angles P-C4'-P energy: -46.448
tors. eta vs tors. theta energy: -27.798
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 448
Temperature: 1.200000
Total energy: -470.348949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -470.348949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -470.348949 (E_RNA)
where:
Base-Base interactions energy: -219.148
where: short stacking energy: -128.406
Base-Backbone interact. energy: -1.799
local terms energy: -249.401608
where:
bonds (distance) C4'-P energy: -60.245
bonds (distance) P-C4' energy: -68.243
flat angles C4'-P-C4' energy: -54.647
flat angles P-C4'-P energy: -42.424
tors. eta vs tors. theta energy: -23.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 448
Temperature: 1.250000
Total energy: -363.708510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.708510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.708510 (E_RNA)
where:
Base-Base interactions energy: -142.360
where: short stacking energy: -88.960
Base-Backbone interact. energy: -1.639
local terms energy: -219.709035
where:
bonds (distance) C4'-P energy: -63.052
bonds (distance) P-C4' energy: -57.223
flat angles C4'-P-C4' energy: -64.075
flat angles P-C4'-P energy: -36.297
tors. eta vs tors. theta energy: 0.937
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 448
Temperature: 1.300000
Total energy: -282.572120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.572120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.572120 (E_RNA)
where:
Base-Base interactions energy: -92.267
where: short stacking energy: -71.878
Base-Backbone interact. energy: -2.061
local terms energy: -188.244039
where:
bonds (distance) C4'-P energy: -49.361
bonds (distance) P-C4' energy: -48.968
flat angles C4'-P-C4' energy: -66.661
flat angles P-C4'-P energy: -30.861
tors. eta vs tors. theta energy: 7.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 448
Temperature: 1.350000
Total energy: -265.757360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.757360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.757360 (E_RNA)
where:
Base-Base interactions energy: -106.602
where: short stacking energy: -93.034
Base-Backbone interact. energy: 0.391
local terms energy: -159.545902
where:
bonds (distance) C4'-P energy: -45.853
bonds (distance) P-C4' energy: -68.485
flat angles C4'-P-C4' energy: -39.430
flat angles P-C4'-P energy: -26.525
tors. eta vs tors. theta energy: 20.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 449
Temperature: 0.900000
Total energy: -1097.986226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1097.986226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1097.986226 (E_RNA)
where:
Base-Base interactions energy: -709.326
where: short stacking energy: -332.876
Base-Backbone interact. energy: -0.779
local terms energy: -387.880792
where:
bonds (distance) C4'-P energy: -71.951
bonds (distance) P-C4' energy: -65.149
flat angles C4'-P-C4' energy: -81.871
flat angles P-C4'-P energy: -55.251
tors. eta vs tors. theta energy: -113.659
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: 1
=====================================
Write number: 449
Temperature: 0.950000
Total energy: -1062.677624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1062.677624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1062.677624 (E_RNA)
where:
Base-Base interactions energy: -715.056
where: short stacking energy: -314.173
Base-Backbone interact. energy: 0.035
local terms energy: -347.656361
where:
bonds (distance) C4'-P energy: -65.493
bonds (distance) P-C4' energy: -68.217
flat angles C4'-P-C4' energy: -70.682
flat angles P-C4'-P energy: -45.512
tors. eta vs tors. theta energy: -97.752
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: 449
Temperature: 1.000000
Total energy: -958.902309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -958.902309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -958.902309 (E_RNA)
where:
Base-Base interactions energy: -616.828
where: short stacking energy: -270.485
Base-Backbone interact. energy: -1.400
local terms energy: -340.674562
where:
bonds (distance) C4'-P energy: -69.678
bonds (distance) P-C4' energy: -70.760
flat angles C4'-P-C4' energy: -71.276
flat angles P-C4'-P energy: -54.312
tors. eta vs tors. theta energy: -74.648
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 449
Temperature: 1.050000
Total energy: -764.803617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -764.803617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -764.803617 (E_RNA)
where:
Base-Base interactions energy: -450.621
where: short stacking energy: -252.255
Base-Backbone interact. energy: 2.097
local terms energy: -316.280322
where:
bonds (distance) C4'-P energy: -56.637
bonds (distance) P-C4' energy: -64.327
flat angles C4'-P-C4' energy: -75.432
flat angles P-C4'-P energy: -51.235
tors. eta vs tors. theta energy: -68.650
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: 449
Temperature: 1.100000
Total energy: -728.039417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -728.039417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -728.039417 (E_RNA)
where:
Base-Base interactions energy: -446.975
where: short stacking energy: -210.188
Base-Backbone interact. energy: -1.292
local terms energy: -279.772647
where:
bonds (distance) C4'-P energy: -56.958
bonds (distance) P-C4' energy: -65.922
flat angles C4'-P-C4' energy: -61.904
flat angles P-C4'-P energy: -40.903
tors. eta vs tors. theta energy: -54.085
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: 7
=====================================
Write number: 449
Temperature: 1.150000
Total energy: -565.511585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -565.511585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -565.511585 (E_RNA)
where:
Base-Base interactions energy: -308.717
where: short stacking energy: -144.349
Base-Backbone interact. energy: 0.411
local terms energy: -257.205804
where:
bonds (distance) C4'-P energy: -73.214
bonds (distance) P-C4' energy: -64.866
flat angles C4'-P-C4' energy: -55.562
flat angles P-C4'-P energy: -33.612
tors. eta vs tors. theta energy: -29.952
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: 2
=====================================
Write number: 449
Temperature: 1.200000
Total energy: -443.661799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -443.661799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -443.661799 (E_RNA)
where:
Base-Base interactions energy: -210.082
where: short stacking energy: -116.930
Base-Backbone interact. energy: -0.627
local terms energy: -232.953139
where:
bonds (distance) C4'-P energy: -51.498
bonds (distance) P-C4' energy: -60.357
flat angles C4'-P-C4' energy: -69.122
flat angles P-C4'-P energy: -37.567
tors. eta vs tors. theta energy: -14.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 449
Temperature: 1.250000
Total energy: -362.428740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.428740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.428740 (E_RNA)
where:
Base-Base interactions energy: -169.880
where: short stacking energy: -81.418
Base-Backbone interact. energy: 2.558
local terms energy: -195.106621
where:
bonds (distance) C4'-P energy: -58.264
bonds (distance) P-C4' energy: -62.469
flat angles C4'-P-C4' energy: -48.756
flat angles P-C4'-P energy: -34.532
tors. eta vs tors. theta energy: 8.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 449
Temperature: 1.300000
Total energy: -310.551544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.551544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.551544 (E_RNA)
where:
Base-Base interactions energy: -109.377
where: short stacking energy: -73.952
Base-Backbone interact. energy: -2.767
local terms energy: -198.408157
where:
bonds (distance) C4'-P energy: -55.519
bonds (distance) P-C4' energy: -56.531
flat angles C4'-P-C4' energy: -51.862
flat angles P-C4'-P energy: -42.232
tors. eta vs tors. theta energy: 7.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 449
Temperature: 1.350000
Total energy: -269.218265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.218265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.218265 (E_RNA)
where:
Base-Base interactions energy: -75.906
where: short stacking energy: -66.759
Base-Backbone interact. energy: 0.301
local terms energy: -193.613437
where:
bonds (distance) C4'-P energy: -65.981
bonds (distance) P-C4' energy: -61.073
flat angles C4'-P-C4' energy: -42.530
flat angles P-C4'-P energy: -28.080
tors. eta vs tors. theta energy: 4.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 450
Temperature: 0.900000
Total energy: -1107.303019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1107.303019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1107.303019 (E_RNA)
where:
Base-Base interactions energy: -734.708
where: short stacking energy: -334.393
Base-Backbone interact. energy: -0.429
local terms energy: -372.165416
where:
bonds (distance) C4'-P energy: -76.275
bonds (distance) P-C4' energy: -60.558
flat angles C4'-P-C4' energy: -77.729
flat angles P-C4'-P energy: -44.753
tors. eta vs tors. theta energy: -112.850
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 450
Temperature: 0.950000
Total energy: -1057.412156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1057.412156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1057.412156 (E_RNA)
where:
Base-Base interactions energy: -706.716
where: short stacking energy: -303.863
Base-Backbone interact. energy: -2.714
local terms energy: -347.981800
where:
bonds (distance) C4'-P energy: -63.234
bonds (distance) P-C4' energy: -68.991
flat angles C4'-P-C4' energy: -71.518
flat angles P-C4'-P energy: -45.828
tors. eta vs tors. theta energy: -98.410
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: 450
Temperature: 1.000000
Total energy: -927.216134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -927.216134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -927.216134 (E_RNA)
where:
Base-Base interactions energy: -616.233
where: short stacking energy: -281.782
Base-Backbone interact. energy: 2.277
local terms energy: -313.260512
where:
bonds (distance) C4'-P energy: -53.189
bonds (distance) P-C4' energy: -72.198
flat angles C4'-P-C4' energy: -70.782
flat angles P-C4'-P energy: -43.768
tors. eta vs tors. theta energy: -73.324
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: 6
=====================================
Write number: 450
Temperature: 1.050000
Total energy: -743.920044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -743.920044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -743.920044 (E_RNA)
where:
Base-Base interactions energy: -454.619
where: short stacking energy: -240.133
Base-Backbone interact. energy: -1.638
local terms energy: -287.662863
where:
bonds (distance) C4'-P energy: -59.135
bonds (distance) P-C4' energy: -62.418
flat angles C4'-P-C4' energy: -61.777
flat angles P-C4'-P energy: -38.027
tors. eta vs tors. theta energy: -66.306
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: 450
Temperature: 1.100000
Total energy: -726.253471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -726.253471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -726.253471 (E_RNA)
where:
Base-Base interactions energy: -443.244
where: short stacking energy: -219.863
Base-Backbone interact. energy: 1.433
local terms energy: -284.441922
where:
bonds (distance) C4'-P energy: -54.104
bonds (distance) P-C4' energy: -55.958
flat angles C4'-P-C4' energy: -67.692
flat angles P-C4'-P energy: -36.489
tors. eta vs tors. theta energy: -70.199
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: 7
=====================================
Write number: 450
Temperature: 1.150000
Total energy: -553.161515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -553.161515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -553.161515 (E_RNA)
where:
Base-Base interactions energy: -280.768
where: short stacking energy: -169.305
Base-Backbone interact. energy: -1.479
local terms energy: -270.914096
where:
bonds (distance) C4'-P energy: -60.430
bonds (distance) P-C4' energy: -66.640
flat angles C4'-P-C4' energy: -51.848
flat angles P-C4'-P energy: -50.085
tors. eta vs tors. theta energy: -41.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 450
Temperature: 1.200000
Total energy: -445.218083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -445.218083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -445.218083 (E_RNA)
where:
Base-Base interactions energy: -235.559
where: short stacking energy: -127.532
Base-Backbone interact. energy: 0.065
local terms energy: -209.723439
where:
bonds (distance) C4'-P energy: -59.531
bonds (distance) P-C4' energy: -65.341
flat angles C4'-P-C4' energy: -56.976
flat angles P-C4'-P energy: -25.768
tors. eta vs tors. theta energy: -2.108
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 450
Temperature: 1.250000
Total energy: -338.527104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.527104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.527104 (E_RNA)
where:
Base-Base interactions energy: -135.363
where: short stacking energy: -91.594
Base-Backbone interact. energy: -0.433
local terms energy: -202.730748
where:
bonds (distance) C4'-P energy: -42.449
bonds (distance) P-C4' energy: -65.947
flat angles C4'-P-C4' energy: -58.675
flat angles P-C4'-P energy: -32.599
tors. eta vs tors. theta energy: -3.061
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 450
Temperature: 1.300000
Total energy: -305.508829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.508829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.508829 (E_RNA)
where:
Base-Base interactions energy: -95.781
where: short stacking energy: -81.670
Base-Backbone interact. energy: -2.102
local terms energy: -207.626708
where:
bonds (distance) C4'-P energy: -59.030
bonds (distance) P-C4' energy: -64.294
flat angles C4'-P-C4' energy: -67.359
flat angles P-C4'-P energy: -33.749
tors. eta vs tors. theta energy: 16.806
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 450
Temperature: 1.350000
Total energy: -288.837465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.837465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.837465 (E_RNA)
where:
Base-Base interactions energy: -94.405
where: short stacking energy: -72.158
Base-Backbone interact. energy: 1.057
local terms energy: -195.489478
where:
bonds (distance) C4'-P energy: -59.797
bonds (distance) P-C4' energy: -60.378
flat angles C4'-P-C4' energy: -46.761
flat angles P-C4'-P energy: -31.619
tors. eta vs tors. theta energy: 3.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 451
Temperature: 0.900000
Total energy: -1096.210218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1096.210218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1096.210218 (E_RNA)
where:
Base-Base interactions energy: -718.844
where: short stacking energy: -324.149
Base-Backbone interact. energy: -0.303
local terms energy: -377.063370
where:
bonds (distance) C4'-P energy: -70.653
bonds (distance) P-C4' energy: -60.968
flat angles C4'-P-C4' energy: -80.189
flat angles P-C4'-P energy: -57.331
tors. eta vs tors. theta energy: -107.922
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: 2, replica: 1
=====================================
Write number: 451
Temperature: 0.950000
Total energy: -1071.474050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1071.474050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1071.474050 (E_RNA)
where:
Base-Base interactions energy: -720.747
where: short stacking energy: -309.377
Base-Backbone interact. energy: -2.493
local terms energy: -348.234121
where:
bonds (distance) C4'-P energy: -67.865
bonds (distance) P-C4' energy: -61.861
flat angles C4'-P-C4' energy: -71.978
flat angles P-C4'-P energy: -41.633
tors. eta vs tors. theta energy: -104.897
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 451
Temperature: 1.000000
Total energy: -945.438148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -945.438148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -945.438148 (E_RNA)
where:
Base-Base interactions energy: -611.159
where: short stacking energy: -271.855
Base-Backbone interact. energy: -1.965
local terms energy: -332.314113
where:
bonds (distance) C4'-P energy: -69.085
bonds (distance) P-C4' energy: -73.843
flat angles C4'-P-C4' energy: -66.309
flat angles P-C4'-P energy: -42.192
tors. eta vs tors. theta energy: -80.885
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: 6
=====================================
Write number: 451
Temperature: 1.050000
Total energy: -796.352078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -796.352078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -796.352078 (E_RNA)
where:
Base-Base interactions energy: -496.870
where: short stacking energy: -241.906
Base-Backbone interact. energy: 3.867
local terms energy: -303.348918
where:
bonds (distance) C4'-P energy: -60.424
bonds (distance) P-C4' energy: -66.579
flat angles C4'-P-C4' energy: -74.068
flat angles P-C4'-P energy: -43.627
tors. eta vs tors. theta energy: -58.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 451
Temperature: 1.100000
Total energy: -722.022130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -722.022130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -722.022130 (E_RNA)
where:
Base-Base interactions energy: -436.853
where: short stacking energy: -216.490
Base-Backbone interact. energy: 1.895
local terms energy: -287.064028
where:
bonds (distance) C4'-P energy: -54.500
bonds (distance) P-C4' energy: -65.548
flat angles C4'-P-C4' energy: -73.241
flat angles P-C4'-P energy: -45.912
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: 6, replica: 7
=====================================
Write number: 451
Temperature: 1.150000
Total energy: -543.318965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.318965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.318965 (E_RNA)
where:
Base-Base interactions energy: -294.508
where: short stacking energy: -139.594
Base-Backbone interact. energy: -0.554
local terms energy: -248.257318
where:
bonds (distance) C4'-P energy: -58.912
bonds (distance) P-C4' energy: -68.650
flat angles C4'-P-C4' energy: -52.724
flat angles P-C4'-P energy: -39.511
tors. eta vs tors. theta energy: -28.460
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 451
Temperature: 1.200000
Total energy: -439.407900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -439.407900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -439.407900 (E_RNA)
where:
Base-Base interactions energy: -212.489
where: short stacking energy: -128.510
Base-Backbone interact. energy: 3.547
local terms energy: -230.466611
where:
bonds (distance) C4'-P energy: -58.507
bonds (distance) P-C4' energy: -66.398
flat angles C4'-P-C4' energy: -49.082
flat angles P-C4'-P energy: -41.347
tors. eta vs tors. theta energy: -15.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 451
Temperature: 1.250000
Total energy: -318.177373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.177373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.177373 (E_RNA)
where:
Base-Base interactions energy: -107.829
where: short stacking energy: -101.314
Base-Backbone interact. energy: 4.910
local terms energy: -215.258316
where:
bonds (distance) C4'-P energy: -58.401
bonds (distance) P-C4' energy: -58.806
flat angles C4'-P-C4' energy: -62.545
flat angles P-C4'-P energy: -33.462
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: 9, replica: 10
=====================================
Write number: 451
Temperature: 1.300000
Total energy: -304.045220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.045220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.045220 (E_RNA)
where:
Base-Base interactions energy: -117.452
where: short stacking energy: -85.943
Base-Backbone interact. energy: 1.074
local terms energy: -187.666970
where:
bonds (distance) C4'-P energy: -56.019
bonds (distance) P-C4' energy: -46.716
flat angles C4'-P-C4' energy: -55.860
flat angles P-C4'-P energy: -29.124
tors. eta vs tors. theta energy: 0.052
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: 9
=====================================
Write number: 451
Temperature: 1.350000
Total energy: -270.795262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.795262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.795262 (E_RNA)
where:
Base-Base interactions energy: -103.912
where: short stacking energy: -66.209
Base-Backbone interact. energy: -0.367
local terms energy: -166.516376
where:
bonds (distance) C4'-P energy: -60.270
bonds (distance) P-C4' energy: -61.036
flat angles C4'-P-C4' energy: -41.880
flat angles P-C4'-P energy: -24.326
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: 1, replica: 4
=====================================
Write number: 452
Temperature: 0.900000
Total energy: -1087.287193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1087.287193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1087.287193 (E_RNA)
where:
Base-Base interactions energy: -702.132
where: short stacking energy: -318.048
Base-Backbone interact. energy: -1.260
local terms energy: -383.894976
where:
bonds (distance) C4'-P energy: -70.606
bonds (distance) P-C4' energy: -72.913
flat angles C4'-P-C4' energy: -71.374
flat angles P-C4'-P energy: -52.356
tors. eta vs tors. theta energy: -116.647
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: 1
=====================================
Write number: 452
Temperature: 0.950000
Total energy: -1063.550605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1063.550605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1063.550605 (E_RNA)
where:
Base-Base interactions energy: -708.916
where: short stacking energy: -321.375
Base-Backbone interact. energy: -0.943
local terms energy: -353.691701
where:
bonds (distance) C4'-P energy: -68.186
bonds (distance) P-C4' energy: -68.157
flat angles C4'-P-C4' energy: -72.326
flat angles P-C4'-P energy: -39.513
tors. eta vs tors. theta energy: -105.509
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: 3, replica: 3
=====================================
Write number: 452
Temperature: 1.000000
Total energy: -927.769820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -927.769820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -927.769820 (E_RNA)
where:
Base-Base interactions energy: -587.679
where: short stacking energy: -277.880
Base-Backbone interact. energy: 0.696
local terms energy: -340.786286
where:
bonds (distance) C4'-P energy: -70.239
bonds (distance) P-C4' energy: -72.452
flat angles C4'-P-C4' energy: -73.651
flat angles P-C4'-P energy: -35.543
tors. eta vs tors. theta energy: -88.902
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: 6
=====================================
Write number: 452
Temperature: 1.050000
Total energy: -773.618082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -773.618082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -773.618082 (E_RNA)
where:
Base-Base interactions energy: -493.558
where: short stacking energy: -223.588
Base-Backbone interact. energy: -1.624
local terms energy: -278.435333
where:
bonds (distance) C4'-P energy: -51.885
bonds (distance) P-C4' energy: -65.973
flat angles C4'-P-C4' energy: -51.533
flat angles P-C4'-P energy: -44.184
tors. eta vs tors. theta energy: -64.860
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: 5
=====================================
Write number: 452
Temperature: 1.100000
Total energy: -683.418396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -683.418396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -683.418396 (E_RNA)
where:
Base-Base interactions energy: -408.886
where: short stacking energy: -222.468
Base-Backbone interact. energy: 1.609
local terms energy: -276.141529
where:
bonds (distance) C4'-P energy: -58.628
bonds (distance) P-C4' energy: -71.014
flat angles C4'-P-C4' energy: -54.372
flat angles P-C4'-P energy: -35.692
tors. eta vs tors. theta energy: -56.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 452
Temperature: 1.150000
Total energy: -566.770133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -566.770133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -566.770133 (E_RNA)
where:
Base-Base interactions energy: -300.810
where: short stacking energy: -142.398
Base-Backbone interact. energy: -0.946
local terms energy: -265.014639
where:
bonds (distance) C4'-P energy: -63.281
bonds (distance) P-C4' energy: -66.215
flat angles C4'-P-C4' energy: -60.509
flat angles P-C4'-P energy: -40.598
tors. eta vs tors. theta energy: -34.412
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 452
Temperature: 1.200000
Total energy: -447.193853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -447.193853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -447.193853 (E_RNA)
where:
Base-Base interactions energy: -218.624
where: short stacking energy: -115.394
Base-Backbone interact. energy: -0.544
local terms energy: -228.025875
where:
bonds (distance) C4'-P energy: -47.827
bonds (distance) P-C4' energy: -63.348
flat angles C4'-P-C4' energy: -62.869
flat angles P-C4'-P energy: -36.554
tors. eta vs tors. theta energy: -17.428
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: 8
=====================================
Write number: 452
Temperature: 1.250000
Total energy: -317.903889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.903889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.903889 (E_RNA)
where:
Base-Base interactions energy: -114.165
where: short stacking energy: -86.046
Base-Backbone interact. energy: -0.232
local terms energy: -203.507621
where:
bonds (distance) C4'-P energy: -68.424
bonds (distance) P-C4' energy: -54.583
flat angles C4'-P-C4' energy: -59.198
flat angles P-C4'-P energy: -24.449
tors. eta vs tors. theta energy: 3.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 452
Temperature: 1.300000
Total energy: -288.870356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.870356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.870356 (E_RNA)
where:
Base-Base interactions energy: -96.396
where: short stacking energy: -79.194
Base-Backbone interact. energy: 1.506
local terms energy: -193.980784
where:
bonds (distance) C4'-P energy: -54.983
bonds (distance) P-C4' energy: -61.841
flat angles C4'-P-C4' energy: -52.101
flat angles P-C4'-P energy: -35.722
tors. eta vs tors. theta energy: 10.666
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 452
Temperature: 1.350000
Total energy: -286.817687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.817687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.817687 (E_RNA)
where:
Base-Base interactions energy: -101.144
where: short stacking energy: -75.039
Base-Backbone interact. energy: 3.796
local terms energy: -189.469441
where:
bonds (distance) C4'-P energy: -60.630
bonds (distance) P-C4' energy: -58.794
flat angles C4'-P-C4' energy: -49.658
flat angles P-C4'-P energy: -21.844
tors. eta vs tors. theta energy: 1.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 453
Temperature: 0.900000
Total energy: -1103.793150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1103.793150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1103.793150 (E_RNA)
where:
Base-Base interactions energy: -716.302
where: short stacking energy: -336.194
Base-Backbone interact. energy: -0.484
local terms energy: -387.007342
where:
bonds (distance) C4'-P energy: -69.249
bonds (distance) P-C4' energy: -71.060
flat angles C4'-P-C4' energy: -81.398
flat angles P-C4'-P energy: -50.871
tors. eta vs tors. theta energy: -114.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 453
Temperature: 0.950000
Total energy: -1057.246993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1057.246993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1057.246993 (E_RNA)
where:
Base-Base interactions energy: -710.126
where: short stacking energy: -317.486
Base-Backbone interact. energy: 2.568
local terms energy: -349.688989
where:
bonds (distance) C4'-P energy: -61.738
bonds (distance) P-C4' energy: -69.913
flat angles C4'-P-C4' energy: -79.818
flat angles P-C4'-P energy: -44.577
tors. eta vs tors. theta energy: -93.643
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 453
Temperature: 1.000000
Total energy: -924.427897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -924.427897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -924.427897 (E_RNA)
where:
Base-Base interactions energy: -596.242
where: short stacking energy: -253.493
Base-Backbone interact. energy: -1.884
local terms energy: -326.302217
where:
bonds (distance) C4'-P energy: -67.773
bonds (distance) P-C4' energy: -58.696
flat angles C4'-P-C4' energy: -71.737
flat angles P-C4'-P energy: -47.466
tors. eta vs tors. theta energy: -80.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 453
Temperature: 1.050000
Total energy: -782.038559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -782.038559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -782.038559 (E_RNA)
where:
Base-Base interactions energy: -498.811
where: short stacking energy: -229.448
Base-Backbone interact. energy: -2.221
local terms energy: -281.007018
where:
bonds (distance) C4'-P energy: -58.491
bonds (distance) P-C4' energy: -63.727
flat angles C4'-P-C4' energy: -60.399
flat angles P-C4'-P energy: -34.213
tors. eta vs tors. theta energy: -64.177
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: 5
=====================================
Write number: 453
Temperature: 1.100000
Total energy: -699.944016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -699.944016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -699.944016 (E_RNA)
where:
Base-Base interactions energy: -398.798
where: short stacking energy: -207.593
Base-Backbone interact. energy: -2.382
local terms energy: -298.763932
where:
bonds (distance) C4'-P energy: -62.452
bonds (distance) P-C4' energy: -62.917
flat angles C4'-P-C4' energy: -76.360
flat angles P-C4'-P energy: -48.763
tors. eta vs tors. theta energy: -48.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 453
Temperature: 1.150000
Total energy: -597.754261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -597.754261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -597.754261 (E_RNA)
where:
Base-Base interactions energy: -342.563
where: short stacking energy: -184.400
Base-Backbone interact. energy: -1.102
local terms energy: -254.089589
where:
bonds (distance) C4'-P energy: -52.572
bonds (distance) P-C4' energy: -62.452
flat angles C4'-P-C4' energy: -56.384
flat angles P-C4'-P energy: -41.892
tors. eta vs tors. theta energy: -40.789
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: 2
=====================================
Write number: 453
Temperature: 1.200000
Total energy: -434.169573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -434.169573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -434.169573 (E_RNA)
where:
Base-Base interactions energy: -231.747
where: short stacking energy: -116.018
Base-Backbone interact. energy: -0.510
local terms energy: -201.912660
where:
bonds (distance) C4'-P energy: -57.900
bonds (distance) P-C4' energy: -44.282
flat angles C4'-P-C4' energy: -62.427
flat angles P-C4'-P energy: -29.418
tors. eta vs tors. theta energy: -7.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 453
Temperature: 1.250000
Total energy: -328.639443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.639443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.639443 (E_RNA)
where:
Base-Base interactions energy: -130.808
where: short stacking energy: -97.127
Base-Backbone interact. energy: -2.244
local terms energy: -195.587183
where:
bonds (distance) C4'-P energy: -60.419
bonds (distance) P-C4' energy: -53.424
flat angles C4'-P-C4' energy: -43.597
flat angles P-C4'-P energy: -37.575
tors. eta vs tors. theta energy: -0.572
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: 8
=====================================
Write number: 453
Temperature: 1.300000
Total energy: -284.677877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.677877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.677877 (E_RNA)
where:
Base-Base interactions energy: -113.862
where: short stacking energy: -67.583
Base-Backbone interact. energy: 1.787
local terms energy: -172.602717
where:
bonds (distance) C4'-P energy: -54.549
bonds (distance) P-C4' energy: -54.986
flat angles C4'-P-C4' energy: -40.268
flat angles P-C4'-P energy: -26.639
tors. eta vs tors. theta energy: 3.839
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 453
Temperature: 1.350000
Total energy: -257.937926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.937926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.937926 (E_RNA)
where:
Base-Base interactions energy: -79.259
where: short stacking energy: -51.604
Base-Backbone interact. energy: -1.065
local terms energy: -177.614345
where:
bonds (distance) C4'-P energy: -62.354
bonds (distance) P-C4' energy: -61.549
flat angles C4'-P-C4' energy: -43.068
flat angles P-C4'-P energy: -34.288
tors. eta vs tors. theta energy: 23.645
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: 4
=====================================
Write number: 454
Temperature: 0.900000
Total energy: -1089.850836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1089.850836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1089.850836 (E_RNA)
where:
Base-Base interactions energy: -711.599
where: short stacking energy: -324.251
Base-Backbone interact. energy: -1.349
local terms energy: -376.902257
where:
bonds (distance) C4'-P energy: -78.340
bonds (distance) P-C4' energy: -70.575
flat angles C4'-P-C4' energy: -69.145
flat angles P-C4'-P energy: -48.422
tors. eta vs tors. theta energy: -110.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 454
Temperature: 0.950000
Total energy: -1055.130871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1055.130871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1055.130871 (E_RNA)
where:
Base-Base interactions energy: -717.561
where: short stacking energy: -315.747
Base-Backbone interact. energy: 8.830
local terms energy: -346.399790
where:
bonds (distance) C4'-P energy: -65.973
bonds (distance) P-C4' energy: -64.696
flat angles C4'-P-C4' energy: -75.420
flat angles P-C4'-P energy: -41.873
tors. eta vs tors. theta energy: -98.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 454
Temperature: 1.000000
Total energy: -933.408941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -933.408941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -933.408941 (E_RNA)
where:
Base-Base interactions energy: -588.319
where: short stacking energy: -262.301
Base-Backbone interact. energy: -2.450
local terms energy: -342.639930
where:
bonds (distance) C4'-P energy: -70.281
bonds (distance) P-C4' energy: -67.478
flat angles C4'-P-C4' energy: -82.624
flat angles P-C4'-P energy: -39.778
tors. eta vs tors. theta energy: -82.479
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 454
Temperature: 1.050000
Total energy: -821.756176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -821.756176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -821.756176 (E_RNA)
where:
Base-Base interactions energy: -549.807
where: short stacking energy: -254.226
Base-Backbone interact. energy: -2.361
local terms energy: -269.587550
where:
bonds (distance) C4'-P energy: -54.649
bonds (distance) P-C4' energy: -62.799
flat angles C4'-P-C4' energy: -58.539
flat angles P-C4'-P energy: -26.416
tors. eta vs tors. theta energy: -67.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 454
Temperature: 1.100000
Total energy: -699.572439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -699.572439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -699.572439 (E_RNA)
where:
Base-Base interactions energy: -423.475
where: short stacking energy: -195.705
Base-Backbone interact. energy: -1.575
local terms energy: -274.521881
where:
bonds (distance) C4'-P energy: -59.466
bonds (distance) P-C4' energy: -61.955
flat angles C4'-P-C4' energy: -74.507
flat angles P-C4'-P energy: -34.625
tors. eta vs tors. theta energy: -43.969
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: 6, replica: 7
=====================================
Write number: 454
Temperature: 1.150000
Total energy: -620.255938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -620.255938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -620.255938 (E_RNA)
where:
Base-Base interactions energy: -334.855
where: short stacking energy: -182.590
Base-Backbone interact. energy: 1.633
local terms energy: -287.033282
where:
bonds (distance) C4'-P energy: -70.758
bonds (distance) P-C4' energy: -58.628
flat angles C4'-P-C4' energy: -77.646
flat angles P-C4'-P energy: -31.379
tors. eta vs tors. theta energy: -48.622
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: 2
=====================================
Write number: 454
Temperature: 1.200000
Total energy: -460.047554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -460.047554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -460.047554 (E_RNA)
where:
Base-Base interactions energy: -234.127
where: short stacking energy: -142.711
Base-Backbone interact. energy: -1.042
local terms energy: -224.878111
where:
bonds (distance) C4'-P energy: -58.448
bonds (distance) P-C4' energy: -54.037
flat angles C4'-P-C4' energy: -56.198
flat angles P-C4'-P energy: -35.901
tors. eta vs tors. theta energy: -20.293
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: 9
=====================================
Write number: 454
Temperature: 1.250000
Total energy: -308.502726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.502726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.502726 (E_RNA)
where:
Base-Base interactions energy: -101.972
where: short stacking energy: -96.104
Base-Backbone interact. energy: 1.670
local terms energy: -208.200723
where:
bonds (distance) C4'-P energy: -61.021
bonds (distance) P-C4' energy: -60.395
flat angles C4'-P-C4' energy: -59.812
flat angles P-C4'-P energy: -29.430
tors. eta vs tors. theta energy: 2.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 454
Temperature: 1.300000
Total energy: -283.163954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.163954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.163954 (E_RNA)
where:
Base-Base interactions energy: -106.210
where: short stacking energy: -72.096
Base-Backbone interact. energy: 1.620
local terms energy: -178.574178
where:
bonds (distance) C4'-P energy: -43.746
bonds (distance) P-C4' energy: -62.212
flat angles C4'-P-C4' energy: -54.090
flat angles P-C4'-P energy: -26.084
tors. eta vs tors. theta energy: 7.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 454
Temperature: 1.350000
Total energy: -262.819410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.819410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.819410 (E_RNA)
where:
Base-Base interactions energy: -78.370
where: short stacking energy: -57.202
Base-Backbone interact. energy: 3.103
local terms energy: -187.552228
where:
bonds (distance) C4'-P energy: -52.911
bonds (distance) P-C4' energy: -71.056
flat angles C4'-P-C4' energy: -43.530
flat angles P-C4'-P energy: -31.689
tors. eta vs tors. theta energy: 11.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 455
Temperature: 0.900000
Total energy: -1116.759102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1116.759102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1116.759102 (E_RNA)
where:
Base-Base interactions energy: -720.479
where: short stacking energy: -343.404
Base-Backbone interact. energy: -1.352
local terms energy: -394.927885
where:
bonds (distance) C4'-P energy: -69.739
bonds (distance) P-C4' energy: -73.697
flat angles C4'-P-C4' energy: -77.656
flat angles P-C4'-P energy: -57.098
tors. eta vs tors. theta energy: -116.738
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 455
Temperature: 0.950000
Total energy: -1078.237350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1078.237350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1078.237350 (E_RNA)
where:
Base-Base interactions energy: -724.308
where: short stacking energy: -329.537
Base-Backbone interact. energy: -0.400
local terms energy: -353.529286
where:
bonds (distance) C4'-P energy: -69.779
bonds (distance) P-C4' energy: -62.000
flat angles C4'-P-C4' energy: -75.577
flat angles P-C4'-P energy: -39.002
tors. eta vs tors. theta energy: -107.171
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 455
Temperature: 1.000000
Total energy: -918.978765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -918.978765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -918.978765 (E_RNA)
where:
Base-Base interactions energy: -576.496
where: short stacking energy: -252.700
Base-Backbone interact. energy: -0.467
local terms energy: -342.015779
where:
bonds (distance) C4'-P energy: -68.302
bonds (distance) P-C4' energy: -64.629
flat angles C4'-P-C4' energy: -79.730
flat angles P-C4'-P energy: -40.468
tors. eta vs tors. theta energy: -88.887
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 455
Temperature: 1.050000
Total energy: -789.375183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -789.375183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -789.375183 (E_RNA)
where:
Base-Base interactions energy: -500.405
where: short stacking energy: -230.872
Base-Backbone interact. energy: -0.213
local terms energy: -288.757889
where:
bonds (distance) C4'-P energy: -65.043
bonds (distance) P-C4' energy: -67.545
flat angles C4'-P-C4' energy: -67.146
flat angles P-C4'-P energy: -36.274
tors. eta vs tors. theta energy: -52.750
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 455
Temperature: 1.100000
Total energy: -672.998761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -672.998761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -672.998761 (E_RNA)
where:
Base-Base interactions energy: -388.949
where: short stacking energy: -197.624
Base-Backbone interact. energy: -0.176
local terms energy: -283.873771
where:
bonds (distance) C4'-P energy: -61.517
bonds (distance) P-C4' energy: -64.081
flat angles C4'-P-C4' energy: -61.773
flat angles P-C4'-P energy: -44.609
tors. eta vs tors. theta energy: -51.893
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: 7
=====================================
Write number: 455
Temperature: 1.150000
Total energy: -625.429101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -625.429101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -625.429101 (E_RNA)
where:
Base-Base interactions energy: -344.675
where: short stacking energy: -158.758
Base-Backbone interact. energy: -1.674
local terms energy: -279.080015
where:
bonds (distance) C4'-P energy: -53.321
bonds (distance) P-C4' energy: -73.430
flat angles C4'-P-C4' energy: -57.540
flat angles P-C4'-P energy: -54.954
tors. eta vs tors. theta energy: -39.835
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: 7, replica: 2
=====================================
Write number: 455
Temperature: 1.200000
Total energy: -449.675350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -449.675350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -449.675350 (E_RNA)
where:
Base-Base interactions energy: -225.815
where: short stacking energy: -129.762
Base-Backbone interact. energy: 2.303
local terms energy: -226.163013
where:
bonds (distance) C4'-P energy: -61.596
bonds (distance) P-C4' energy: -58.982
flat angles C4'-P-C4' energy: -63.116
flat angles P-C4'-P energy: -36.472
tors. eta vs tors. theta energy: -5.996
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 455
Temperature: 1.250000
Total energy: -331.682833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.682833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.682833 (E_RNA)
where:
Base-Base interactions energy: -93.267
where: short stacking energy: -62.670
Base-Backbone interact. energy: -2.628
local terms energy: -235.787661
where:
bonds (distance) C4'-P energy: -74.295
bonds (distance) P-C4' energy: -49.743
flat angles C4'-P-C4' energy: -66.970
flat angles P-C4'-P energy: -38.733
tors. eta vs tors. theta energy: -6.048
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: 9, replica: 9
=====================================
Write number: 455
Temperature: 1.300000
Total energy: -284.892927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.892927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.892927 (E_RNA)
where:
Base-Base interactions energy: -90.678
where: short stacking energy: -68.080
Base-Backbone interact. energy: -0.756
local terms energy: -193.458281
where:
bonds (distance) C4'-P energy: -58.043
bonds (distance) P-C4' energy: -67.416
flat angles C4'-P-C4' energy: -45.345
flat angles P-C4'-P energy: -40.542
tors. eta vs tors. theta energy: 17.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 455
Temperature: 1.350000
Total energy: -285.929998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.929998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.929998 (E_RNA)
where:
Base-Base interactions energy: -95.495
where: short stacking energy: -84.077
Base-Backbone interact. energy: 2.168
local terms energy: -192.603095
where:
bonds (distance) C4'-P energy: -57.173
bonds (distance) P-C4' energy: -67.357
flat angles C4'-P-C4' energy: -51.859
flat angles P-C4'-P energy: -27.749
tors. eta vs tors. theta energy: 11.535
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: 1, replica: 4
=====================================
Write number: 456
Temperature: 0.900000
Total energy: -1102.476383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1102.476383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1102.476383 (E_RNA)
where:
Base-Base interactions energy: -725.430
where: short stacking energy: -337.668
Base-Backbone interact. energy: -0.175
local terms energy: -376.871280
where:
bonds (distance) C4'-P energy: -71.210
bonds (distance) P-C4' energy: -63.359
flat angles C4'-P-C4' energy: -79.516
flat angles P-C4'-P energy: -48.959
tors. eta vs tors. theta energy: -113.828
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 456
Temperature: 0.950000
Total energy: -1070.693574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1070.693574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1070.693574 (E_RNA)
where:
Base-Base interactions energy: -703.805
where: short stacking energy: -325.414
Base-Backbone interact. energy: -1.826
local terms energy: -365.062814
where:
bonds (distance) C4'-P energy: -63.750
bonds (distance) P-C4' energy: -69.999
flat angles C4'-P-C4' energy: -79.135
flat angles P-C4'-P energy: -47.013
tors. eta vs tors. theta energy: -105.166
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 456
Temperature: 1.000000
Total energy: -928.956677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -928.956677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -928.956677 (E_RNA)
where:
Base-Base interactions energy: -608.217
where: short stacking energy: -255.317
Base-Backbone interact. energy: -0.386
local terms energy: -320.353236
where:
bonds (distance) C4'-P energy: -65.805
bonds (distance) P-C4' energy: -62.064
flat angles C4'-P-C4' energy: -67.392
flat angles P-C4'-P energy: -45.043
tors. eta vs tors. theta energy: -80.049
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 456
Temperature: 1.050000
Total energy: -788.163689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -788.163689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -788.163689 (E_RNA)
where:
Base-Base interactions energy: -490.245
where: short stacking energy: -230.851
Base-Backbone interact. energy: -2.899
local terms energy: -295.019765
where:
bonds (distance) C4'-P energy: -63.122
bonds (distance) P-C4' energy: -66.259
flat angles C4'-P-C4' energy: -64.800
flat angles P-C4'-P energy: -41.419
tors. eta vs tors. theta energy: -59.419
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 456
Temperature: 1.100000
Total energy: -657.617903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -657.617903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -657.617903 (E_RNA)
where:
Base-Base interactions energy: -387.702
where: short stacking energy: -214.549
Base-Backbone interact. energy: -3.565
local terms energy: -266.350997
where:
bonds (distance) C4'-P energy: -59.932
bonds (distance) P-C4' energy: -63.003
flat angles C4'-P-C4' energy: -70.074
flat angles P-C4'-P energy: -28.192
tors. eta vs tors. theta energy: -45.149
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: 6, replica: 5
=====================================
Write number: 456
Temperature: 1.150000
Total energy: -609.038427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -609.038427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -609.038427 (E_RNA)
where:
Base-Base interactions energy: -365.322
where: short stacking energy: -189.469
Base-Backbone interact. energy: -0.961
local terms energy: -242.755347
where:
bonds (distance) C4'-P energy: -58.299
bonds (distance) P-C4' energy: -54.640
flat angles C4'-P-C4' energy: -63.171
flat angles P-C4'-P energy: -31.278
tors. eta vs tors. theta energy: -35.367
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 456
Temperature: 1.200000
Total energy: -427.374842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -427.374842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -427.374842 (E_RNA)
where:
Base-Base interactions energy: -181.910
where: short stacking energy: -123.314
Base-Backbone interact. energy: -0.833
local terms energy: -244.632240
where:
bonds (distance) C4'-P energy: -60.284
bonds (distance) P-C4' energy: -65.149
flat angles C4'-P-C4' energy: -61.917
flat angles P-C4'-P energy: -43.461
tors. eta vs tors. theta energy: -13.821
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 456
Temperature: 1.250000
Total energy: -302.433173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.433173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.433173 (E_RNA)
where:
Base-Base interactions energy: -103.415
where: short stacking energy: -81.749
Base-Backbone interact. energy: -1.784
local terms energy: -197.233805
where:
bonds (distance) C4'-P energy: -54.185
bonds (distance) P-C4' energy: -71.228
flat angles C4'-P-C4' energy: -47.311
flat angles P-C4'-P energy: -22.523
tors. eta vs tors. theta energy: -1.986
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: 8
=====================================
Write number: 456
Temperature: 1.300000
Total energy: -315.645585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.645585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.645585 (E_RNA)
where:
Base-Base interactions energy: -121.740
where: short stacking energy: -86.800
Base-Backbone interact. energy: 3.767
local terms energy: -197.672336
where:
bonds (distance) C4'-P energy: -54.708
bonds (distance) P-C4' energy: -61.579
flat angles C4'-P-C4' energy: -43.602
flat angles P-C4'-P energy: -40.441
tors. eta vs tors. theta energy: 2.657
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 456
Temperature: 1.350000
Total energy: -275.895364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.895364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.895364 (E_RNA)
where:
Base-Base interactions energy: -94.986
where: short stacking energy: -62.034
Base-Backbone interact. energy: -0.005
local terms energy: -180.904318
where:
bonds (distance) C4'-P energy: -57.119
bonds (distance) P-C4' energy: -49.895
flat angles C4'-P-C4' energy: -51.092
flat angles P-C4'-P energy: -44.926
tors. eta vs tors. theta energy: 22.127
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 457
Temperature: 0.900000
Total energy: -1102.190302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1102.190302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1102.190302 (E_RNA)
where:
Base-Base interactions energy: -714.835
where: short stacking energy: -326.830
Base-Backbone interact. energy: -0.834
local terms energy: -386.521309
where:
bonds (distance) C4'-P energy: -65.485
bonds (distance) P-C4' energy: -75.271
flat angles C4'-P-C4' energy: -75.391
flat angles P-C4'-P energy: -54.843
tors. eta vs tors. theta energy: -115.531
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: 1
=====================================
Write number: 457
Temperature: 0.950000
Total energy: -1087.531692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1087.531692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1087.531692 (E_RNA)
where:
Base-Base interactions energy: -733.044
where: short stacking energy: -327.939
Base-Backbone interact. energy: 0.606
local terms energy: -355.092831
where:
bonds (distance) C4'-P energy: -69.913
bonds (distance) P-C4' energy: -70.028
flat angles C4'-P-C4' energy: -68.190
flat angles P-C4'-P energy: -43.186
tors. eta vs tors. theta energy: -103.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 457
Temperature: 1.000000
Total energy: -936.419820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -936.419820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -936.419820 (E_RNA)
where:
Base-Base interactions energy: -607.434
where: short stacking energy: -256.482
Base-Backbone interact. energy: -2.368
local terms energy: -326.618069
where:
bonds (distance) C4'-P energy: -64.236
bonds (distance) P-C4' energy: -71.233
flat angles C4'-P-C4' energy: -65.653
flat angles P-C4'-P energy: -45.822
tors. eta vs tors. theta energy: -79.673
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 457
Temperature: 1.050000
Total energy: -760.426943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -760.426943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -760.426943 (E_RNA)
where:
Base-Base interactions energy: -474.787
where: short stacking energy: -232.914
Base-Backbone interact. energy: -2.003
local terms energy: -283.637588
where:
bonds (distance) C4'-P energy: -67.996
bonds (distance) P-C4' energy: -52.806
flat angles C4'-P-C4' energy: -66.407
flat angles P-C4'-P energy: -42.350
tors. eta vs tors. theta energy: -54.078
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: 5, replica: 7
=====================================
Write number: 457
Temperature: 1.100000
Total energy: -640.017892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -640.017892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -640.017892 (E_RNA)
where:
Base-Base interactions energy: -377.956
where: short stacking energy: -190.147
Base-Backbone interact. energy: 0.405
local terms energy: -262.467326
where:
bonds (distance) C4'-P energy: -58.495
bonds (distance) P-C4' energy: -61.075
flat angles C4'-P-C4' energy: -67.032
flat angles P-C4'-P energy: -33.636
tors. eta vs tors. theta energy: -42.229
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 457
Temperature: 1.150000
Total energy: -612.896811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -612.896811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -612.896811 (E_RNA)
where:
Base-Base interactions energy: -359.791
where: short stacking energy: -179.946
Base-Backbone interact. energy: -0.129
local terms energy: -252.976482
where:
bonds (distance) C4'-P energy: -58.371
bonds (distance) P-C4' energy: -59.034
flat angles C4'-P-C4' energy: -50.109
flat angles P-C4'-P energy: -41.556
tors. eta vs tors. theta energy: -43.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 457
Temperature: 1.200000
Total energy: -425.064492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -425.064492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -425.064492 (E_RNA)
where:
Base-Base interactions energy: -213.159
where: short stacking energy: -140.855
Base-Backbone interact. energy: 1.061
local terms energy: -212.966622
where:
bonds (distance) C4'-P energy: -55.387
bonds (distance) P-C4' energy: -57.130
flat angles C4'-P-C4' energy: -40.170
flat angles P-C4'-P energy: -40.565
tors. eta vs tors. theta energy: -19.714
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 457
Temperature: 1.250000
Total energy: -316.995623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.995623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.995623 (E_RNA)
where:
Base-Base interactions energy: -145.278
where: short stacking energy: -96.186
Base-Backbone interact. energy: 4.177
local terms energy: -175.894914
where:
bonds (distance) C4'-P energy: -46.896
bonds (distance) P-C4' energy: -57.054
flat angles C4'-P-C4' energy: -53.797
flat angles P-C4'-P energy: -22.641
tors. eta vs tors. theta energy: 4.494
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 457
Temperature: 1.300000
Total energy: -280.620249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.620249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.620249 (E_RNA)
where:
Base-Base interactions energy: -88.671
where: short stacking energy: -81.462
Base-Backbone interact. energy: 1.135
local terms energy: -193.083774
where:
bonds (distance) C4'-P energy: -53.715
bonds (distance) P-C4' energy: -62.538
flat angles C4'-P-C4' energy: -52.537
flat angles P-C4'-P energy: -35.586
tors. eta vs tors. theta energy: 11.293
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 457
Temperature: 1.350000
Total energy: -276.634438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.634438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.634438 (E_RNA)
where:
Base-Base interactions energy: -82.693
where: short stacking energy: -81.054
Base-Backbone interact. energy: 2.810
local terms energy: -196.751781
where:
bonds (distance) C4'-P energy: -58.163
bonds (distance) P-C4' energy: -58.228
flat angles C4'-P-C4' energy: -58.785
flat angles P-C4'-P energy: -27.541
tors. eta vs tors. theta energy: 5.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 458
Temperature: 0.900000
Total energy: -1081.757728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1081.757728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1081.757728 (E_RNA)
where:
Base-Base interactions energy: -703.753
where: short stacking energy: -325.931
Base-Backbone interact. energy: -0.735
local terms energy: -377.270042
where:
bonds (distance) C4'-P energy: -73.208
bonds (distance) P-C4' energy: -66.977
flat angles C4'-P-C4' energy: -70.261
flat angles P-C4'-P energy: -52.922
tors. eta vs tors. theta energy: -113.902
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 458
Temperature: 0.950000
Total energy: -1094.761542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1094.761542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1094.761542 (E_RNA)
where:
Base-Base interactions energy: -731.704
where: short stacking energy: -337.455
Base-Backbone interact. energy: -1.669
local terms energy: -361.388487
where:
bonds (distance) C4'-P energy: -67.662
bonds (distance) P-C4' energy: -75.008
flat angles C4'-P-C4' energy: -77.503
flat angles P-C4'-P energy: -43.792
tors. eta vs tors. theta energy: -97.423
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 458
Temperature: 1.000000
Total energy: -936.281419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -936.281419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -936.281419 (E_RNA)
where:
Base-Base interactions energy: -627.465
where: short stacking energy: -282.822
Base-Backbone interact. energy: -0.042
local terms energy: -308.774445
where:
bonds (distance) C4'-P energy: -66.781
bonds (distance) P-C4' energy: -50.325
flat angles C4'-P-C4' energy: -64.952
flat angles P-C4'-P energy: -50.861
tors. eta vs tors. theta energy: -75.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 458
Temperature: 1.050000
Total energy: -765.789002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -765.789002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -765.789002 (E_RNA)
where:
Base-Base interactions energy: -481.561
where: short stacking energy: -239.775
Base-Backbone interact. energy: -1.483
local terms energy: -282.744942
where:
bonds (distance) C4'-P energy: -58.680
bonds (distance) P-C4' energy: -60.568
flat angles C4'-P-C4' energy: -58.604
flat angles P-C4'-P energy: -37.562
tors. eta vs tors. theta energy: -67.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 458
Temperature: 1.100000
Total energy: -665.948271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -665.948271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -665.948271 (E_RNA)
where:
Base-Base interactions energy: -391.937
where: short stacking energy: -169.128
Base-Backbone interact. energy: 0.472
local terms energy: -274.483002
where:
bonds (distance) C4'-P energy: -69.672
bonds (distance) P-C4' energy: -57.537
flat angles C4'-P-C4' energy: -68.732
flat angles P-C4'-P energy: -39.608
tors. eta vs tors. theta energy: -38.933
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 458
Temperature: 1.150000
Total energy: -600.029841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -600.029841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -600.029841 (E_RNA)
where:
Base-Base interactions energy: -330.382
where: short stacking energy: -156.891
Base-Backbone interact. energy: -0.855
local terms energy: -268.793613
where:
bonds (distance) C4'-P energy: -73.021
bonds (distance) P-C4' energy: -62.409
flat angles C4'-P-C4' energy: -58.260
flat angles P-C4'-P energy: -36.741
tors. eta vs tors. theta energy: -38.363
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: 2
=====================================
Write number: 458
Temperature: 1.200000
Total energy: -409.260483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -409.260483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -409.260483 (E_RNA)
where:
Base-Base interactions energy: -179.196
where: short stacking energy: -107.378
Base-Backbone interact. energy: 1.878
local terms energy: -231.943267
where:
bonds (distance) C4'-P energy: -73.286
bonds (distance) P-C4' energy: -60.870
flat angles C4'-P-C4' energy: -59.312
flat angles P-C4'-P energy: -26.706
tors. eta vs tors. theta energy: -11.769
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: 458
Temperature: 1.250000
Total energy: -322.054748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.054748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.054748 (E_RNA)
where:
Base-Base interactions energy: -127.564
where: short stacking energy: -83.818
Base-Backbone interact. energy: 3.479
local terms energy: -197.970079
where:
bonds (distance) C4'-P energy: -58.527
bonds (distance) P-C4' energy: -54.131
flat angles C4'-P-C4' energy: -53.118
flat angles P-C4'-P energy: -35.057
tors. eta vs tors. theta energy: 2.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 458
Temperature: 1.300000
Total energy: -277.275639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.275639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.275639 (E_RNA)
where:
Base-Base interactions energy: -98.417
where: short stacking energy: -82.574
Base-Backbone interact. energy: 3.108
local terms energy: -181.966025
where:
bonds (distance) C4'-P energy: -52.436
bonds (distance) P-C4' energy: -64.732
flat angles C4'-P-C4' energy: -53.567
flat angles P-C4'-P energy: -21.753
tors. eta vs tors. theta energy: 10.522
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 458
Temperature: 1.350000
Total energy: -283.033131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.033131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.033131 (E_RNA)
where:
Base-Base interactions energy: -104.819
where: short stacking energy: -82.678
Base-Backbone interact. energy: -0.730
local terms energy: -177.484369
where:
bonds (distance) C4'-P energy: -50.620
bonds (distance) P-C4' energy: -55.660
flat angles C4'-P-C4' energy: -48.766
flat angles P-C4'-P energy: -26.097
tors. eta vs tors. theta energy: 3.659
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 459
Temperature: 0.900000
Total energy: -1089.445953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1089.445953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1089.445953 (E_RNA)
where:
Base-Base interactions energy: -713.255
where: short stacking energy: -329.007
Base-Backbone interact. energy: -1.658
local terms energy: -374.532886
where:
bonds (distance) C4'-P energy: -68.993
bonds (distance) P-C4' energy: -55.464
flat angles C4'-P-C4' energy: -77.474
flat angles P-C4'-P energy: -56.435
tors. eta vs tors. theta energy: -116.167
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: 2, replica: 1
=====================================
Write number: 459
Temperature: 0.950000
Total energy: -1087.402601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1087.402601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1087.402601 (E_RNA)
where:
Base-Base interactions energy: -721.758
where: short stacking energy: -332.551
Base-Backbone interact. energy: 2.464
local terms energy: -368.108496
where:
bonds (distance) C4'-P energy: -71.167
bonds (distance) P-C4' energy: -71.767
flat angles C4'-P-C4' energy: -75.285
flat angles P-C4'-P energy: -48.849
tors. eta vs tors. theta energy: -101.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 459
Temperature: 1.000000
Total energy: -963.566810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -963.566810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -963.566810 (E_RNA)
where:
Base-Base interactions energy: -639.332
where: short stacking energy: -267.902
Base-Backbone interact. energy: -0.086
local terms energy: -324.149387
where:
bonds (distance) C4'-P energy: -63.661
bonds (distance) P-C4' energy: -73.365
flat angles C4'-P-C4' energy: -67.398
flat angles P-C4'-P energy: -40.373
tors. eta vs tors. theta energy: -79.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 459
Temperature: 1.050000
Total energy: -810.176196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -810.176196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -810.176196 (E_RNA)
where:
Base-Base interactions energy: -491.839
where: short stacking energy: -222.447
Base-Backbone interact. energy: 0.098
local terms energy: -318.435308
where:
bonds (distance) C4'-P energy: -68.906
bonds (distance) P-C4' energy: -67.523
flat angles C4'-P-C4' energy: -70.640
flat angles P-C4'-P energy: -49.365
tors. eta vs tors. theta energy: -62.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 459
Temperature: 1.100000
Total energy: -698.495866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -698.495866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -698.495866 (E_RNA)
where:
Base-Base interactions energy: -404.463
where: short stacking energy: -210.139
Base-Backbone interact. energy: -0.948
local terms energy: -293.084378
where:
bonds (distance) C4'-P energy: -70.453
bonds (distance) P-C4' energy: -63.498
flat angles C4'-P-C4' energy: -68.589
flat angles P-C4'-P energy: -37.727
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: 6, replica: 7
=====================================
Write number: 459
Temperature: 1.150000
Total energy: -610.976735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -610.976735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -610.976735 (E_RNA)
where:
Base-Base interactions energy: -361.258
where: short stacking energy: -172.703
Base-Backbone interact. energy: -0.917
local terms energy: -248.801610
where:
bonds (distance) C4'-P energy: -61.007
bonds (distance) P-C4' energy: -51.595
flat angles C4'-P-C4' energy: -64.831
flat angles P-C4'-P energy: -41.198
tors. eta vs tors. theta energy: -30.171
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: 7, replica: 2
=====================================
Write number: 459
Temperature: 1.200000
Total energy: -437.085438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -437.085438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -437.085438 (E_RNA)
where:
Base-Base interactions energy: -209.257
where: short stacking energy: -124.940
Base-Backbone interact. energy: -1.982
local terms energy: -225.846280
where:
bonds (distance) C4'-P energy: -71.994
bonds (distance) P-C4' energy: -55.526
flat angles C4'-P-C4' energy: -51.322
flat angles P-C4'-P energy: -41.440
tors. eta vs tors. theta energy: -5.564
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 459
Temperature: 1.250000
Total energy: -335.801084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.801084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.801084 (E_RNA)
where:
Base-Base interactions energy: -144.429
where: short stacking energy: -94.574
Base-Backbone interact. energy: -2.237
local terms energy: -189.135315
where:
bonds (distance) C4'-P energy: -64.341
bonds (distance) P-C4' energy: -54.112
flat angles C4'-P-C4' energy: -45.985
flat angles P-C4'-P energy: -29.394
tors. eta vs tors. theta energy: 4.696
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: 459
Temperature: 1.300000
Total energy: -270.046669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.046669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.046669 (E_RNA)
where:
Base-Base interactions energy: -70.744
where: short stacking energy: -54.001
Base-Backbone interact. energy: 1.283
local terms energy: -200.585633
where:
bonds (distance) C4'-P energy: -56.732
bonds (distance) P-C4' energy: -62.362
flat angles C4'-P-C4' energy: -48.774
flat angles P-C4'-P energy: -37.209
tors. eta vs tors. theta energy: 4.491
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 459
Temperature: 1.350000
Total energy: -265.770330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.770330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.770330 (E_RNA)
where:
Base-Base interactions energy: -84.253
where: short stacking energy: -65.663
Base-Backbone interact. energy: -0.228
local terms energy: -181.288638
where:
bonds (distance) C4'-P energy: -54.739
bonds (distance) P-C4' energy: -61.246
flat angles C4'-P-C4' energy: -42.921
flat angles P-C4'-P energy: -34.419
tors. eta vs tors. theta energy: 12.037
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: 4
=====================================
Write number: 460
Temperature: 0.900000
Total energy: -1122.019314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1122.019314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1122.019314 (E_RNA)
where:
Base-Base interactions energy: -730.717
where: short stacking energy: -316.877
Base-Backbone interact. energy: 0.436
local terms energy: -391.737766
where:
bonds (distance) C4'-P energy: -82.884
bonds (distance) P-C4' energy: -69.865
flat angles C4'-P-C4' energy: -80.680
flat angles P-C4'-P energy: -48.423
tors. eta vs tors. theta energy: -109.886
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: 1
=====================================
Write number: 460
Temperature: 0.950000
Total energy: -1047.197795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1047.197795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1047.197795 (E_RNA)
where:
Base-Base interactions energy: -688.173
where: short stacking energy: -290.922
Base-Backbone interact. energy: -1.239
local terms energy: -357.786107
where:
bonds (distance) C4'-P energy: -63.239
bonds (distance) P-C4' energy: -73.953
flat angles C4'-P-C4' energy: -74.347
flat angles P-C4'-P energy: -52.944
tors. eta vs tors. theta energy: -93.303
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: 460
Temperature: 1.000000
Total energy: -970.212629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -970.212629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -970.212629 (E_RNA)
where:
Base-Base interactions energy: -621.923
where: short stacking energy: -273.255
Base-Backbone interact. energy: -2.397
local terms energy: -345.892755
where:
bonds (distance) C4'-P energy: -66.031
bonds (distance) P-C4' energy: -68.145
flat angles C4'-P-C4' energy: -74.577
flat angles P-C4'-P energy: -50.725
tors. eta vs tors. theta energy: -86.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 460
Temperature: 1.050000
Total energy: -797.509666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -797.509666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -797.509666 (E_RNA)
where:
Base-Base interactions energy: -476.696
where: short stacking energy: -244.638
Base-Backbone interact. energy: 2.774
local terms energy: -323.586837
where:
bonds (distance) C4'-P energy: -54.919
bonds (distance) P-C4' energy: -77.584
flat angles C4'-P-C4' energy: -69.693
flat angles P-C4'-P energy: -49.477
tors. eta vs tors. theta energy: -71.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 460
Temperature: 1.100000
Total energy: -666.320125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -666.320125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -666.320125 (E_RNA)
where:
Base-Base interactions energy: -381.901
where: short stacking energy: -190.515
Base-Backbone interact. energy: -1.291
local terms energy: -283.127616
where:
bonds (distance) C4'-P energy: -62.506
bonds (distance) P-C4' energy: -69.758
flat angles C4'-P-C4' energy: -59.713
flat angles P-C4'-P energy: -38.002
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: 6, replica: 7
=====================================
Write number: 460
Temperature: 1.150000
Total energy: -639.611143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -639.611143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -639.611143 (E_RNA)
where:
Base-Base interactions energy: -367.003
where: short stacking energy: -188.858
Base-Backbone interact. energy: -0.006
local terms energy: -272.602081
where:
bonds (distance) C4'-P energy: -65.530
bonds (distance) P-C4' energy: -64.964
flat angles C4'-P-C4' energy: -55.260
flat angles P-C4'-P energy: -47.608
tors. eta vs tors. theta energy: -39.240
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 460
Temperature: 1.200000
Total energy: -462.162388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.162388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -462.162388 (E_RNA)
where:
Base-Base interactions energy: -226.952
where: short stacking energy: -142.301
Base-Backbone interact. energy: -1.874
local terms energy: -233.336319
where:
bonds (distance) C4'-P energy: -62.283
bonds (distance) P-C4' energy: -70.397
flat angles C4'-P-C4' energy: -55.529
flat angles P-C4'-P energy: -24.249
tors. eta vs tors. theta energy: -20.878
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 460
Temperature: 1.250000
Total energy: -315.381967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.381967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.381967 (E_RNA)
where:
Base-Base interactions energy: -127.324
where: short stacking energy: -94.457
Base-Backbone interact. energy: -1.912
local terms energy: -186.145844
where:
bonds (distance) C4'-P energy: -65.114
bonds (distance) P-C4' energy: -60.566
flat angles C4'-P-C4' energy: -36.557
flat angles P-C4'-P energy: -28.473
tors. eta vs tors. theta energy: 4.564
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 460
Temperature: 1.300000
Total energy: -305.229380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.229380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.229380 (E_RNA)
where:
Base-Base interactions energy: -113.312
where: short stacking energy: -84.620
Base-Backbone interact. energy: -2.952
local terms energy: -188.965162
where:
bonds (distance) C4'-P energy: -53.807
bonds (distance) P-C4' energy: -56.957
flat angles C4'-P-C4' energy: -57.117
flat angles P-C4'-P energy: -19.418
tors. eta vs tors. theta energy: -1.665
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: 10
=====================================
Write number: 460
Temperature: 1.350000
Total energy: -266.195270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.195270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.195270 (E_RNA)
where:
Base-Base interactions energy: -98.989
where: short stacking energy: -71.601
Base-Backbone interact. energy: 0.853
local terms energy: -168.059439
where:
bonds (distance) C4'-P energy: -58.192
bonds (distance) P-C4' energy: -69.035
flat angles C4'-P-C4' energy: -39.369
flat angles P-C4'-P energy: -23.165
tors. eta vs tors. theta energy: 21.701
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: 4
=====================================
Write number: 461
Temperature: 0.900000
Total energy: -1140.726827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1140.726827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1140.726827 (E_RNA)
where:
Base-Base interactions energy: -762.045
where: short stacking energy: -352.366
Base-Backbone interact. energy: -0.156
local terms energy: -378.526034
where:
bonds (distance) C4'-P energy: -61.450
bonds (distance) P-C4' energy: -70.415
flat angles C4'-P-C4' energy: -74.710
flat angles P-C4'-P energy: -51.491
tors. eta vs tors. theta energy: -120.459
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: 1
=====================================
Write number: 461
Temperature: 0.950000
Total energy: -993.195119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -993.195119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -993.195119 (E_RNA)
where:
Base-Base interactions energy: -646.996
where: short stacking energy: -314.658
Base-Backbone interact. energy: -1.692
local terms energy: -344.507615
where:
bonds (distance) C4'-P energy: -61.643
bonds (distance) P-C4' energy: -62.618
flat angles C4'-P-C4' energy: -70.656
flat angles P-C4'-P energy: -53.316
tors. eta vs tors. theta energy: -96.275
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 461
Temperature: 1.000000
Total energy: -974.337537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -974.337537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -974.337537 (E_RNA)
where:
Base-Base interactions energy: -652.196
where: short stacking energy: -280.106
Base-Backbone interact. energy: -2.574
local terms energy: -319.567463
where:
bonds (distance) C4'-P energy: -58.576
bonds (distance) P-C4' energy: -75.193
flat angles C4'-P-C4' energy: -58.155
flat angles P-C4'-P energy: -39.923
tors. eta vs tors. theta energy: -87.721
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: 6
=====================================
Write number: 461
Temperature: 1.050000
Total energy: -823.715778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -823.715778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -823.715778 (E_RNA)
where:
Base-Base interactions energy: -518.096
where: short stacking energy: -253.371
Base-Backbone interact. energy: -1.181
local terms energy: -304.439332
where:
bonds (distance) C4'-P energy: -64.972
bonds (distance) P-C4' energy: -63.289
flat angles C4'-P-C4' energy: -61.159
flat angles P-C4'-P energy: -41.146
tors. eta vs tors. theta energy: -73.873
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: 5
=====================================
Write number: 461
Temperature: 1.100000
Total energy: -662.676147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -662.676147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -662.676147 (E_RNA)
where:
Base-Base interactions energy: -391.453
where: short stacking energy: -166.837
Base-Backbone interact. energy: -3.165
local terms energy: -268.058479
where:
bonds (distance) C4'-P energy: -60.254
bonds (distance) P-C4' energy: -72.959
flat angles C4'-P-C4' energy: -61.786
flat angles P-C4'-P energy: -45.611
tors. eta vs tors. theta energy: -27.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 461
Temperature: 1.150000
Total energy: -594.288826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -594.288826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -594.288826 (E_RNA)
where:
Base-Base interactions energy: -342.063
where: short stacking energy: -171.754
Base-Backbone interact. energy: 2.003
local terms energy: -254.228898
where:
bonds (distance) C4'-P energy: -71.067
bonds (distance) P-C4' energy: -54.679
flat angles C4'-P-C4' energy: -63.388
flat angles P-C4'-P energy: -33.511
tors. eta vs tors. theta energy: -31.584
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 461
Temperature: 1.200000
Total energy: -401.213897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -401.213897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -401.213897 (E_RNA)
where:
Base-Base interactions energy: -203.180
where: short stacking energy: -115.449
Base-Backbone interact. energy: 0.005
local terms energy: -198.039013
where:
bonds (distance) C4'-P energy: -50.263
bonds (distance) P-C4' energy: -57.420
flat angles C4'-P-C4' energy: -63.216
flat angles P-C4'-P energy: -27.240
tors. eta vs tors. theta energy: 0.101
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 461
Temperature: 1.250000
Total energy: -326.355089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.355089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.355089 (E_RNA)
where:
Base-Base interactions energy: -129.761
where: short stacking energy: -93.828
Base-Backbone interact. energy: 3.483
local terms energy: -200.076726
where:
bonds (distance) C4'-P energy: -69.365
bonds (distance) P-C4' energy: -55.182
flat angles C4'-P-C4' energy: -41.935
flat angles P-C4'-P energy: -36.494
tors. eta vs tors. theta energy: 2.899
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 461
Temperature: 1.300000
Total energy: -305.079653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.079653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.079653 (E_RNA)
where:
Base-Base interactions energy: -120.542
where: short stacking energy: -92.463
Base-Backbone interact. energy: 1.922
local terms energy: -186.459708
where:
bonds (distance) C4'-P energy: -54.021
bonds (distance) P-C4' energy: -65.697
flat angles C4'-P-C4' energy: -44.641
flat angles P-C4'-P energy: -31.830
tors. eta vs tors. theta energy: 9.729
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 461
Temperature: 1.350000
Total energy: -285.010840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.010840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.010840 (E_RNA)
where:
Base-Base interactions energy: -81.918
where: short stacking energy: -54.546
Base-Backbone interact. energy: -1.640
local terms energy: -201.452650
where:
bonds (distance) C4'-P energy: -60.682
bonds (distance) P-C4' energy: -61.631
flat angles C4'-P-C4' energy: -69.841
flat angles P-C4'-P energy: -28.584
tors. eta vs tors. theta energy: 19.286
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 462
Temperature: 0.900000
Total energy: -1128.210685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1128.210685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1128.210685 (E_RNA)
where:
Base-Base interactions energy: -744.476
where: short stacking energy: -332.066
Base-Backbone interact. energy: -0.601
local terms energy: -383.134143
where:
bonds (distance) C4'-P energy: -70.077
bonds (distance) P-C4' energy: -73.131
flat angles C4'-P-C4' energy: -77.400
flat angles P-C4'-P energy: -48.561
tors. eta vs tors. theta energy: -113.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 462
Temperature: 0.950000
Total energy: -1008.030158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1008.030158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1008.030158 (E_RNA)
where:
Base-Base interactions energy: -639.620
where: short stacking energy: -310.333
Base-Backbone interact. energy: -1.093
local terms energy: -367.316909
where:
bonds (distance) C4'-P energy: -73.020
bonds (distance) P-C4' energy: -72.882
flat angles C4'-P-C4' energy: -75.585
flat angles P-C4'-P energy: -44.236
tors. eta vs tors. theta energy: -101.594
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 462
Temperature: 1.000000
Total energy: -998.046855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -998.046855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -998.046855 (E_RNA)
where:
Base-Base interactions energy: -648.964
where: short stacking energy: -296.213
Base-Backbone interact. energy: -1.403
local terms energy: -347.680057
where:
bonds (distance) C4'-P energy: -62.939
bonds (distance) P-C4' energy: -62.297
flat angles C4'-P-C4' energy: -74.760
flat angles P-C4'-P energy: -53.134
tors. eta vs tors. theta energy: -94.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 462
Temperature: 1.050000
Total energy: -816.424641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -816.424641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -816.424641 (E_RNA)
where:
Base-Base interactions energy: -492.854
where: short stacking energy: -256.216
Base-Backbone interact. energy: -1.096
local terms energy: -322.474945
where:
bonds (distance) C4'-P energy: -58.238
bonds (distance) P-C4' energy: -63.436
flat angles C4'-P-C4' energy: -74.718
flat angles P-C4'-P energy: -51.949
tors. eta vs tors. theta energy: -74.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 462
Temperature: 1.100000
Total energy: -638.600489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -638.600489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -638.600489 (E_RNA)
where:
Base-Base interactions energy: -347.661
where: short stacking energy: -176.269
Base-Backbone interact. energy: -2.436
local terms energy: -288.502781
where:
bonds (distance) C4'-P energy: -57.865
bonds (distance) P-C4' energy: -72.189
flat angles C4'-P-C4' energy: -70.725
flat angles P-C4'-P energy: -42.742
tors. eta vs tors. theta energy: -44.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 462
Temperature: 1.150000
Total energy: -618.079183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -618.079183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -618.079183 (E_RNA)
where:
Base-Base interactions energy: -372.662
where: short stacking energy: -156.902
Base-Backbone interact. energy: 2.609
local terms energy: -248.026947
where:
bonds (distance) C4'-P energy: -52.297
bonds (distance) P-C4' energy: -53.520
flat angles C4'-P-C4' energy: -69.209
flat angles P-C4'-P energy: -43.068
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: 7, replica: 2
=====================================
Write number: 462
Temperature: 1.200000
Total energy: -404.186515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -404.186515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -404.186515 (E_RNA)
where:
Base-Base interactions energy: -196.250
where: short stacking energy: -114.318
Base-Backbone interact. energy: 0.691
local terms energy: -208.627289
where:
bonds (distance) C4'-P energy: -62.885
bonds (distance) P-C4' energy: -56.267
flat angles C4'-P-C4' energy: -49.172
flat angles P-C4'-P energy: -37.194
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: 8, replica: 9
=====================================
Write number: 462
Temperature: 1.250000
Total energy: -314.014256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.014256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.014256 (E_RNA)
where:
Base-Base interactions energy: -132.243
where: short stacking energy: -64.732
Base-Backbone interact. energy: -1.548
local terms energy: -180.222745
where:
bonds (distance) C4'-P energy: -44.879
bonds (distance) P-C4' energy: -62.175
flat angles C4'-P-C4' energy: -49.214
flat angles P-C4'-P energy: -31.181
tors. eta vs tors. theta energy: 7.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 462
Temperature: 1.300000
Total energy: -319.462718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.462718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.462718 (E_RNA)
where:
Base-Base interactions energy: -139.719
where: short stacking energy: -74.320
Base-Backbone interact. energy: -1.282
local terms energy: -178.461779
where:
bonds (distance) C4'-P energy: -65.819
bonds (distance) P-C4' energy: -52.518
flat angles C4'-P-C4' energy: -48.561
flat angles P-C4'-P energy: -27.453
tors. eta vs tors. theta energy: 15.889
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: 10, replica: 8
=====================================
Write number: 462
Temperature: 1.350000
Total energy: -276.097684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.097684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.097684 (E_RNA)
where:
Base-Base interactions energy: -89.194
where: short stacking energy: -74.112
Base-Backbone interact. energy: 1.211
local terms energy: -188.115273
where:
bonds (distance) C4'-P energy: -59.889
bonds (distance) P-C4' energy: -48.807
flat angles C4'-P-C4' energy: -38.218
flat angles P-C4'-P energy: -39.144
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: 4
=====================================
Write number: 463
Temperature: 0.900000
Total energy: -1104.909514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1104.909514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1104.909514 (E_RNA)
where:
Base-Base interactions energy: -741.403
where: short stacking energy: -337.956
Base-Backbone interact. energy: -0.759
local terms energy: -362.746992
where:
bonds (distance) C4'-P energy: -66.797
bonds (distance) P-C4' energy: -63.076
flat angles C4'-P-C4' energy: -70.076
flat angles P-C4'-P energy: -44.395
tors. eta vs tors. theta energy: -118.404
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: 1
=====================================
Write number: 463
Temperature: 0.950000
Total energy: -995.520512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -995.520512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -995.520512 (E_RNA)
where:
Base-Base interactions energy: -647.081
where: short stacking energy: -304.082
Base-Backbone interact. energy: -2.101
local terms energy: -346.338556
where:
bonds (distance) C4'-P energy: -67.821
bonds (distance) P-C4' energy: -67.405
flat angles C4'-P-C4' energy: -72.519
flat angles P-C4'-P energy: -40.752
tors. eta vs tors. theta energy: -97.841
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: 3
=====================================
Write number: 463
Temperature: 1.000000
Total energy: -969.010037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -969.010037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -969.010037 (E_RNA)
where:
Base-Base interactions energy: -620.112
where: short stacking energy: -298.334
Base-Backbone interact. energy: -0.395
local terms energy: -348.503130
where:
bonds (distance) C4'-P energy: -64.200
bonds (distance) P-C4' energy: -74.312
flat angles C4'-P-C4' energy: -68.382
flat angles P-C4'-P energy: -54.120
tors. eta vs tors. theta energy: -87.490
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 463
Temperature: 1.050000
Total energy: -809.360862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -809.360862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -809.360862 (E_RNA)
where:
Base-Base interactions energy: -491.822
where: short stacking energy: -225.974
Base-Backbone interact. energy: -1.489
local terms energy: -316.049492
where:
bonds (distance) C4'-P energy: -70.035
bonds (distance) P-C4' energy: -65.057
flat angles C4'-P-C4' energy: -67.495
flat angles P-C4'-P energy: -49.734
tors. eta vs tors. theta energy: -63.727
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: 7
=====================================
Write number: 463
Temperature: 1.100000
Total energy: -619.688771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -619.688771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -619.688771 (E_RNA)
where:
Base-Base interactions energy: -361.693
where: short stacking energy: -194.930
Base-Backbone interact. energy: -0.236
local terms energy: -257.759928
where:
bonds (distance) C4'-P energy: -72.615
bonds (distance) P-C4' energy: -67.313
flat angles C4'-P-C4' energy: -46.860
flat angles P-C4'-P energy: -26.244
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: 6, replica: 5
=====================================
Write number: 463
Temperature: 1.150000
Total energy: -529.196405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.196405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.196405 (E_RNA)
where:
Base-Base interactions energy: -283.129
where: short stacking energy: -149.706
Base-Backbone interact. energy: 1.597
local terms energy: -247.664630
where:
bonds (distance) C4'-P energy: -67.532
bonds (distance) P-C4' energy: -56.754
flat angles C4'-P-C4' energy: -60.986
flat angles P-C4'-P energy: -33.546
tors. eta vs tors. theta energy: -28.848
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 463
Temperature: 1.200000
Total energy: -424.553031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -424.553031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -424.553031 (E_RNA)
where:
Base-Base interactions energy: -209.398
where: short stacking energy: -125.322
Base-Backbone interact. energy: 0.883
local terms energy: -216.037713
where:
bonds (distance) C4'-P energy: -63.763
bonds (distance) P-C4' energy: -50.456
flat angles C4'-P-C4' energy: -50.785
flat angles P-C4'-P energy: -31.295
tors. eta vs tors. theta energy: -19.738
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: 10
=====================================
Write number: 463
Temperature: 1.250000
Total energy: -320.297044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.297044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.297044 (E_RNA)
where:
Base-Base interactions energy: -113.671
where: short stacking energy: -93.995
Base-Backbone interact. energy: 0.792
local terms energy: -207.417275
where:
bonds (distance) C4'-P energy: -52.982
bonds (distance) P-C4' energy: -67.806
flat angles C4'-P-C4' energy: -43.716
flat angles P-C4'-P energy: -36.511
tors. eta vs tors. theta energy: -6.402
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: 9
=====================================
Write number: 463
Temperature: 1.300000
Total energy: -301.530390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.530390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.530390 (E_RNA)
where:
Base-Base interactions energy: -87.169
where: short stacking energy: -67.202
Base-Backbone interact. energy: -2.145
local terms energy: -212.215720
where:
bonds (distance) C4'-P energy: -66.992
bonds (distance) P-C4' energy: -64.173
flat angles C4'-P-C4' energy: -45.661
flat angles P-C4'-P energy: -33.999
tors. eta vs tors. theta energy: -1.392
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: 8
=====================================
Write number: 463
Temperature: 1.350000
Total energy: -264.159884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.159884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.159884 (E_RNA)
where:
Base-Base interactions energy: -83.461
where: short stacking energy: -49.403
Base-Backbone interact. energy: -0.319
local terms energy: -180.379984
where:
bonds (distance) C4'-P energy: -61.560
bonds (distance) P-C4' energy: -58.198
flat angles C4'-P-C4' energy: -54.620
flat angles P-C4'-P energy: -26.913
tors. eta vs tors. theta energy: 20.912
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: 4
=====================================
Write number: 464
Temperature: 0.900000
Total energy: -1105.308285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1105.308285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1105.308285 (E_RNA)
where:
Base-Base interactions energy: -736.927
where: short stacking energy: -313.780
Base-Backbone interact. energy: -0.805
local terms energy: -367.576123
where:
bonds (distance) C4'-P energy: -69.149
bonds (distance) P-C4' energy: -65.642
flat angles C4'-P-C4' energy: -76.364
flat angles P-C4'-P energy: -49.550
tors. eta vs tors. theta energy: -106.872
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: 1
=====================================
Write number: 464
Temperature: 0.950000
Total energy: -1019.477105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1019.477105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1019.477105 (E_RNA)
where:
Base-Base interactions energy: -657.018
where: short stacking energy: -316.998
Base-Backbone interact. energy: -1.140
local terms energy: -361.319530
where:
bonds (distance) C4'-P energy: -69.225
bonds (distance) P-C4' energy: -68.778
flat angles C4'-P-C4' energy: -79.629
flat angles P-C4'-P energy: -47.871
tors. eta vs tors. theta energy: -95.817
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: 464
Temperature: 1.000000
Total energy: -940.876615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -940.876615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -940.876615 (E_RNA)
where:
Base-Base interactions energy: -597.747
where: short stacking energy: -288.191
Base-Backbone interact. energy: 2.575
local terms energy: -345.704525
where:
bonds (distance) C4'-P energy: -60.705
bonds (distance) P-C4' energy: -64.867
flat angles C4'-P-C4' energy: -74.812
flat angles P-C4'-P energy: -49.142
tors. eta vs tors. theta energy: -96.178
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: 4, replica: 6
=====================================
Write number: 464
Temperature: 1.050000
Total energy: -781.034659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -781.034659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -781.034659 (E_RNA)
where:
Base-Base interactions energy: -497.772
where: short stacking energy: -244.972
Base-Backbone interact. energy: 0.898
local terms energy: -284.160789
where:
bonds (distance) C4'-P energy: -58.068
bonds (distance) P-C4' energy: -67.367
flat angles C4'-P-C4' energy: -59.062
flat angles P-C4'-P energy: -35.601
tors. eta vs tors. theta energy: -64.063
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 464
Temperature: 1.100000
Total energy: -669.063811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -669.063811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -669.063811 (E_RNA)
where:
Base-Base interactions energy: -426.339
where: short stacking energy: -192.531
Base-Backbone interact. energy: 3.062
local terms energy: -245.786508
where:
bonds (distance) C4'-P energy: -57.642
bonds (distance) P-C4' energy: -61.278
flat angles C4'-P-C4' energy: -65.158
flat angles P-C4'-P energy: -33.259
tors. eta vs tors. theta energy: -28.450
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: 464
Temperature: 1.150000
Total energy: -557.634287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -557.634287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -557.634287 (E_RNA)
where:
Base-Base interactions energy: -294.230
where: short stacking energy: -158.664
Base-Backbone interact. energy: -0.583
local terms energy: -262.821762
where:
bonds (distance) C4'-P energy: -71.598
bonds (distance) P-C4' energy: -65.991
flat angles C4'-P-C4' energy: -58.002
flat angles P-C4'-P energy: -36.727
tors. eta vs tors. theta energy: -30.505
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: 7, replica: 10
=====================================
Write number: 464
Temperature: 1.200000
Total energy: -351.017261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.017261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.017261 (E_RNA)
where:
Base-Base interactions energy: -126.544
where: short stacking energy: -107.947
Base-Backbone interact. energy: -3.044
local terms energy: -221.429385
where:
bonds (distance) C4'-P energy: -53.551
bonds (distance) P-C4' energy: -61.665
flat angles C4'-P-C4' energy: -64.956
flat angles P-C4'-P energy: -33.270
tors. eta vs tors. theta energy: -7.986
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 464
Temperature: 1.250000
Total energy: -384.763960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -384.763960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -384.763960 (E_RNA)
where:
Base-Base interactions energy: -158.061
where: short stacking energy: -101.151
Base-Backbone interact. energy: 0.547
local terms energy: -227.250021
where:
bonds (distance) C4'-P energy: -60.134
bonds (distance) P-C4' energy: -60.321
flat angles C4'-P-C4' energy: -61.969
flat angles P-C4'-P energy: -34.367
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: 8
=====================================
Write number: 464
Temperature: 1.300000
Total energy: -298.064169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.064169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.064169 (E_RNA)
where:
Base-Base interactions energy: -97.247
where: short stacking energy: -78.207
Base-Backbone interact. energy: -1.733
local terms energy: -199.084090
where:
bonds (distance) C4'-P energy: -56.506
bonds (distance) P-C4' energy: -69.841
flat angles C4'-P-C4' energy: -47.612
flat angles P-C4'-P energy: -32.845
tors. eta vs tors. theta energy: 7.720
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 464
Temperature: 1.350000
Total energy: -274.461032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.461032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.461032 (E_RNA)
where:
Base-Base interactions energy: -78.495
where: short stacking energy: -64.104
Base-Backbone interact. energy: 2.336
local terms energy: -198.302111
where:
bonds (distance) C4'-P energy: -52.243
bonds (distance) P-C4' energy: -58.541
flat angles C4'-P-C4' energy: -61.006
flat angles P-C4'-P energy: -43.497
tors. eta vs tors. theta energy: 16.985
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 465
Temperature: 0.900000
Total energy: -1129.990670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1129.990670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1129.990670 (E_RNA)
where:
Base-Base interactions energy: -740.982
where: short stacking energy: -341.998
Base-Backbone interact. energy: -0.647
local terms energy: -388.361529
where:
bonds (distance) C4'-P energy: -64.929
bonds (distance) P-C4' energy: -64.533
flat angles C4'-P-C4' energy: -81.938
flat angles P-C4'-P energy: -62.104
tors. eta vs tors. theta energy: -114.858
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 465
Temperature: 0.950000
Total energy: -997.686167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -997.686167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -997.686167 (E_RNA)
where:
Base-Base interactions energy: -680.285
where: short stacking energy: -315.221
Base-Backbone interact. energy: 0.229
local terms energy: -317.629807
where:
bonds (distance) C4'-P energy: -65.033
bonds (distance) P-C4' energy: -60.143
flat angles C4'-P-C4' energy: -65.388
flat angles P-C4'-P energy: -30.859
tors. eta vs tors. theta energy: -96.208
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: 3
=====================================
Write number: 465
Temperature: 1.000000
Total energy: -931.876916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -931.876916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -931.876916 (E_RNA)
where:
Base-Base interactions energy: -588.805
where: short stacking energy: -285.200
Base-Backbone interact. energy: -2.548
local terms energy: -340.523351
where:
bonds (distance) C4'-P energy: -60.259
bonds (distance) P-C4' energy: -68.031
flat angles C4'-P-C4' energy: -67.945
flat angles P-C4'-P energy: -59.077
tors. eta vs tors. theta energy: -85.212
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 465
Temperature: 1.050000
Total energy: -827.428656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -827.428656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -827.428656 (E_RNA)
where:
Base-Base interactions energy: -503.207
where: short stacking energy: -258.442
Base-Backbone interact. energy: -1.530
local terms energy: -322.691873
where:
bonds (distance) C4'-P energy: -68.395
bonds (distance) P-C4' energy: -61.067
flat angles C4'-P-C4' energy: -72.220
flat angles P-C4'-P energy: -44.985
tors. eta vs tors. theta energy: -76.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 465
Temperature: 1.100000
Total energy: -717.501379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -717.501379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -717.501379 (E_RNA)
where:
Base-Base interactions energy: -451.325
where: short stacking energy: -223.370
Base-Backbone interact. energy: -0.567
local terms energy: -265.608519
where:
bonds (distance) C4'-P energy: -62.256
bonds (distance) P-C4' energy: -47.628
flat angles C4'-P-C4' energy: -48.438
flat angles P-C4'-P energy: -50.679
tors. eta vs tors. theta energy: -56.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 465
Temperature: 1.150000
Total energy: -600.447511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -600.447511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -600.447511 (E_RNA)
where:
Base-Base interactions energy: -318.023
where: short stacking energy: -161.667
Base-Backbone interact. energy: -0.917
local terms energy: -281.507490
where:
bonds (distance) C4'-P energy: -71.423
bonds (distance) P-C4' energy: -73.430
flat angles C4'-P-C4' energy: -61.291
flat angles P-C4'-P energy: -31.447
tors. eta vs tors. theta energy: -43.917
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 465
Temperature: 1.200000
Total energy: -373.120445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.120445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.120445 (E_RNA)
where:
Base-Base interactions energy: -144.016
where: short stacking energy: -115.663
Base-Backbone interact. energy: -0.323
local terms energy: -228.781601
where:
bonds (distance) C4'-P energy: -55.682
bonds (distance) P-C4' energy: -59.136
flat angles C4'-P-C4' energy: -64.088
flat angles P-C4'-P energy: -44.024
tors. eta vs tors. theta energy: -5.852
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 465
Temperature: 1.250000
Total energy: -384.039364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -384.039364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -384.039364 (E_RNA)
where:
Base-Base interactions energy: -176.892
where: short stacking energy: -113.686
Base-Backbone interact. energy: -1.145
local terms energy: -206.002001
where:
bonds (distance) C4'-P energy: -50.767
bonds (distance) P-C4' energy: -59.239
flat angles C4'-P-C4' energy: -55.371
flat angles P-C4'-P energy: -24.952
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: 9, replica: 8
=====================================
Write number: 465
Temperature: 1.300000
Total energy: -288.317002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.317002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.317002 (E_RNA)
where:
Base-Base interactions energy: -80.237
where: short stacking energy: -55.152
Base-Backbone interact. energy: 1.452
local terms energy: -209.532798
where:
bonds (distance) C4'-P energy: -63.202
bonds (distance) P-C4' energy: -54.741
flat angles C4'-P-C4' energy: -73.282
flat angles P-C4'-P energy: -36.045
tors. eta vs tors. theta energy: 17.738
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: 9
=====================================
Write number: 465
Temperature: 1.350000
Total energy: -274.292825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.292825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.292825 (E_RNA)
where:
Base-Base interactions energy: -103.683
where: short stacking energy: -67.758
Base-Backbone interact. energy: -0.675
local terms energy: -169.934666
where:
bonds (distance) C4'-P energy: -61.608
bonds (distance) P-C4' energy: -56.683
flat angles C4'-P-C4' energy: -35.764
flat angles P-C4'-P energy: -31.409
tors. eta vs tors. theta energy: 15.530
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 466
Temperature: 0.900000
Total energy: -1106.264597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1106.264597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1106.264597 (E_RNA)
where:
Base-Base interactions energy: -719.184
where: short stacking energy: -329.092
Base-Backbone interact. energy: 2.227
local terms energy: -389.308373
where:
bonds (distance) C4'-P energy: -69.254
bonds (distance) P-C4' energy: -68.318
flat angles C4'-P-C4' energy: -76.529
flat angles P-C4'-P energy: -64.825
tors. eta vs tors. theta energy: -110.382
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: 1
=====================================
Write number: 466
Temperature: 0.950000
Total energy: -999.322109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -999.322109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -999.322109 (E_RNA)
where:
Base-Base interactions energy: -657.535
where: short stacking energy: -308.999
Base-Backbone interact. energy: 3.125
local terms energy: -344.911465
where:
bonds (distance) C4'-P energy: -68.830
bonds (distance) P-C4' energy: -60.597
flat angles C4'-P-C4' energy: -67.134
flat angles P-C4'-P energy: -45.903
tors. eta vs tors. theta energy: -102.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 466
Temperature: 1.000000
Total energy: -870.995863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -870.995863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -870.995863 (E_RNA)
where:
Base-Base interactions energy: -533.689
where: short stacking energy: -249.227
Base-Backbone interact. energy: -0.625
local terms energy: -336.682577
where:
bonds (distance) C4'-P energy: -72.597
bonds (distance) P-C4' energy: -64.455
flat angles C4'-P-C4' energy: -73.132
flat angles P-C4'-P energy: -53.958
tors. eta vs tors. theta energy: -72.541
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 466
Temperature: 1.050000
Total energy: -896.005976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -896.005976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -896.005976 (E_RNA)
where:
Base-Base interactions energy: -582.249
where: short stacking energy: -276.052
Base-Backbone interact. energy: -2.163
local terms energy: -311.594494
where:
bonds (distance) C4'-P energy: -50.857
bonds (distance) P-C4' energy: -63.058
flat angles C4'-P-C4' energy: -65.861
flat angles P-C4'-P energy: -45.225
tors. eta vs tors. theta energy: -86.594
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: 466
Temperature: 1.100000
Total energy: -644.336436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -644.336436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -644.336436 (E_RNA)
where:
Base-Base interactions energy: -380.397
where: short stacking energy: -174.607
Base-Backbone interact. energy: -0.695
local terms energy: -263.244583
where:
bonds (distance) C4'-P energy: -52.234
bonds (distance) P-C4' energy: -70.325
flat angles C4'-P-C4' energy: -68.236
flat angles P-C4'-P energy: -35.779
tors. eta vs tors. theta energy: -36.671
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 466
Temperature: 1.150000
Total energy: -608.003041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -608.003041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -608.003041 (E_RNA)
where:
Base-Base interactions energy: -350.798
where: short stacking energy: -157.025
Base-Backbone interact. energy: -2.083
local terms energy: -255.122402
where:
bonds (distance) C4'-P energy: -54.758
bonds (distance) P-C4' energy: -67.748
flat angles C4'-P-C4' energy: -63.869
flat angles P-C4'-P energy: -35.403
tors. eta vs tors. theta energy: -33.344
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: 2
=====================================
Write number: 466
Temperature: 1.200000
Total energy: -416.133704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.133704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.133704 (E_RNA)
where:
Base-Base interactions energy: -183.738
where: short stacking energy: -116.653
Base-Backbone interact. energy: -1.292
local terms energy: -231.104038
where:
bonds (distance) C4'-P energy: -61.888
bonds (distance) P-C4' energy: -53.202
flat angles C4'-P-C4' energy: -56.669
flat angles P-C4'-P energy: -45.475
tors. eta vs tors. theta energy: -13.869
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 466
Temperature: 1.250000
Total energy: -340.807397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.807397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.807397 (E_RNA)
where:
Base-Base interactions energy: -117.766
where: short stacking energy: -92.540
Base-Backbone interact. energy: -0.335
local terms energy: -222.706119
where:
bonds (distance) C4'-P energy: -63.534
bonds (distance) P-C4' energy: -60.520
flat angles C4'-P-C4' energy: -63.627
flat angles P-C4'-P energy: -41.731
tors. eta vs tors. theta energy: 6.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 466
Temperature: 1.300000
Total energy: -314.148833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.148833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.148833 (E_RNA)
where:
Base-Base interactions energy: -109.852
where: short stacking energy: -89.164
Base-Backbone interact. energy: 2.595
local terms energy: -206.891910
where:
bonds (distance) C4'-P energy: -59.533
bonds (distance) P-C4' energy: -61.134
flat angles C4'-P-C4' energy: -61.296
flat angles P-C4'-P energy: -38.622
tors. eta vs tors. theta energy: 13.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 466
Temperature: 1.350000
Total energy: -273.052356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.052356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.052356 (E_RNA)
where:
Base-Base interactions energy: -83.492
where: short stacking energy: -78.439
Base-Backbone interact. energy: 5.457
local terms energy: -195.017462
where:
bonds (distance) C4'-P energy: -47.255
bonds (distance) P-C4' energy: -69.978
flat angles C4'-P-C4' energy: -59.553
flat angles P-C4'-P energy: -27.074
tors. eta vs tors. theta energy: 8.843
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 467
Temperature: 0.900000
Total energy: -1137.378684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1137.378684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1137.378684 (E_RNA)
where:
Base-Base interactions energy: -749.002
where: short stacking energy: -327.187
Base-Backbone interact. energy: -0.758
local terms energy: -387.618717
where:
bonds (distance) C4'-P energy: -77.321
bonds (distance) P-C4' energy: -76.646
flat angles C4'-P-C4' energy: -80.569
flat angles P-C4'-P energy: -40.871
tors. eta vs tors. theta energy: -112.212
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 467
Temperature: 0.950000
Total energy: -1034.671427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1034.671427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1034.671427 (E_RNA)
where:
Base-Base interactions energy: -663.071
where: short stacking energy: -295.194
Base-Backbone interact. energy: -2.678
local terms energy: -368.921951
where:
bonds (distance) C4'-P energy: -65.662
bonds (distance) P-C4' energy: -70.308
flat angles C4'-P-C4' energy: -83.602
flat angles P-C4'-P energy: -51.733
tors. eta vs tors. theta energy: -97.616
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: 3, replica: 6
=====================================
Write number: 467
Temperature: 1.000000
Total energy: -852.329374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -852.329374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -852.329374 (E_RNA)
where:
Base-Base interactions energy: -511.427
where: short stacking energy: -237.419
Base-Backbone interact. energy: -1.090
local terms energy: -339.813226
where:
bonds (distance) C4'-P energy: -71.972
bonds (distance) P-C4' energy: -69.799
flat angles C4'-P-C4' energy: -81.858
flat angles P-C4'-P energy: -42.717
tors. eta vs tors. theta energy: -73.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 467
Temperature: 1.050000
Total energy: -885.118146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -885.118146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -885.118146 (E_RNA)
where:
Base-Base interactions energy: -547.983
where: short stacking energy: -269.548
Base-Backbone interact. energy: -0.146
local terms energy: -336.988594
where:
bonds (distance) C4'-P energy: -65.573
bonds (distance) P-C4' energy: -62.031
flat angles C4'-P-C4' energy: -71.993
flat angles P-C4'-P energy: -52.120
tors. eta vs tors. theta energy: -85.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 467
Temperature: 1.100000
Total energy: -586.526076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -586.526076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -586.526076 (E_RNA)
where:
Base-Base interactions energy: -321.920
where: short stacking energy: -170.093
Base-Backbone interact. energy: -2.742
local terms energy: -261.864731
where:
bonds (distance) C4'-P energy: -50.715
bonds (distance) P-C4' energy: -72.624
flat angles C4'-P-C4' energy: -64.370
flat angles P-C4'-P energy: -47.654
tors. eta vs tors. theta energy: -26.502
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: 7
=====================================
Write number: 467
Temperature: 1.150000
Total energy: -551.073916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.073916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.073916 (E_RNA)
where:
Base-Base interactions energy: -308.920
where: short stacking energy: -141.668
Base-Backbone interact. energy: -1.235
local terms energy: -240.918946
where:
bonds (distance) C4'-P energy: -61.128
bonds (distance) P-C4' energy: -62.245
flat angles C4'-P-C4' energy: -72.253
flat angles P-C4'-P energy: -21.348
tors. eta vs tors. theta energy: -23.945
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 467
Temperature: 1.200000
Total energy: -417.118656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.118656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.118656 (E_RNA)
where:
Base-Base interactions energy: -199.943
where: short stacking energy: -133.902
Base-Backbone interact. energy: -1.878
local terms energy: -215.298425
where:
bonds (distance) C4'-P energy: -61.099
bonds (distance) P-C4' energy: -53.940
flat angles C4'-P-C4' energy: -53.756
flat angles P-C4'-P energy: -34.428
tors. eta vs tors. theta energy: -12.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 467
Temperature: 1.250000
Total energy: -311.829064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.829064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.829064 (E_RNA)
where:
Base-Base interactions energy: -125.995
where: short stacking energy: -99.245
Base-Backbone interact. energy: -1.815
local terms energy: -184.018500
where:
bonds (distance) C4'-P energy: -64.156
bonds (distance) P-C4' energy: -55.409
flat angles C4'-P-C4' energy: -43.837
flat angles P-C4'-P energy: -34.546
tors. eta vs tors. theta energy: 13.928
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: 10
=====================================
Write number: 467
Temperature: 1.300000
Total energy: -295.210472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.210472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.210472 (E_RNA)
where:
Base-Base interactions energy: -107.475
where: short stacking energy: -83.564
Base-Backbone interact. energy: 0.200
local terms energy: -187.936115
where:
bonds (distance) C4'-P energy: -48.036
bonds (distance) P-C4' energy: -43.928
flat angles C4'-P-C4' energy: -60.476
flat angles P-C4'-P energy: -36.170
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: 10, replica: 8
=====================================
Write number: 467
Temperature: 1.350000
Total energy: -325.139040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.139040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.139040 (E_RNA)
where:
Base-Base interactions energy: -119.945
where: short stacking energy: -100.654
Base-Backbone interact. energy: -1.170
local terms energy: -204.023956
where:
bonds (distance) C4'-P energy: -57.689
bonds (distance) P-C4' energy: -51.204
flat angles C4'-P-C4' energy: -45.980
flat angles P-C4'-P energy: -46.064
tors. eta vs tors. theta energy: -3.086
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 468
Temperature: 0.900000
Total energy: -1102.844523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1102.844523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1102.844523 (E_RNA)
where:
Base-Base interactions energy: -729.721
where: short stacking energy: -319.775
Base-Backbone interact. energy: -1.462
local terms energy: -371.661171
where:
bonds (distance) C4'-P energy: -52.741
bonds (distance) P-C4' energy: -78.888
flat angles C4'-P-C4' energy: -75.409
flat angles P-C4'-P energy: -52.241
tors. eta vs tors. theta energy: -112.382
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: 1
=====================================
Write number: 468
Temperature: 0.950000
Total energy: -1013.567747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1013.567747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1013.567747 (E_RNA)
where:
Base-Base interactions energy: -665.896
where: short stacking energy: -303.796
Base-Backbone interact. energy: -3.335
local terms energy: -344.337656
where:
bonds (distance) C4'-P energy: -73.970
bonds (distance) P-C4' energy: -53.832
flat angles C4'-P-C4' energy: -73.914
flat angles P-C4'-P energy: -48.503
tors. eta vs tors. theta energy: -94.120
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: 3, replica: 3
=====================================
Write number: 468
Temperature: 1.000000
Total energy: -914.530309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -914.530309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -914.530309 (E_RNA)
where:
Base-Base interactions energy: -601.953
where: short stacking energy: -260.669
Base-Backbone interact. energy: -1.693
local terms energy: -310.884261
where:
bonds (distance) C4'-P energy: -70.090
bonds (distance) P-C4' energy: -68.907
flat angles C4'-P-C4' energy: -56.524
flat angles P-C4'-P energy: -44.853
tors. eta vs tors. theta energy: -70.510
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: 6
=====================================
Write number: 468
Temperature: 1.050000
Total energy: -872.820935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -872.820935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -872.820935 (E_RNA)
where:
Base-Base interactions energy: -549.583
where: short stacking energy: -278.691
Base-Backbone interact. energy: -0.698
local terms energy: -322.540779
where:
bonds (distance) C4'-P energy: -59.211
bonds (distance) P-C4' energy: -70.909
flat angles C4'-P-C4' energy: -61.878
flat angles P-C4'-P energy: -49.482
tors. eta vs tors. theta energy: -81.060
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: 468
Temperature: 1.100000
Total energy: -621.075350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -621.075350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -621.075350 (E_RNA)
where:
Base-Base interactions energy: -358.557
where: short stacking energy: -189.124
Base-Backbone interact. energy: -1.907
local terms energy: -260.611607
where:
bonds (distance) C4'-P energy: -67.282
bonds (distance) P-C4' energy: -52.662
flat angles C4'-P-C4' energy: -55.849
flat angles P-C4'-P energy: -47.014
tors. eta vs tors. theta energy: -37.804
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 468
Temperature: 1.150000
Total energy: -541.964285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.964285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.964285 (E_RNA)
where:
Base-Base interactions energy: -320.435
where: short stacking energy: -146.353
Base-Backbone interact. energy: 4.581
local terms energy: -226.110131
where:
bonds (distance) C4'-P energy: -48.512
bonds (distance) P-C4' energy: -73.462
flat angles C4'-P-C4' energy: -47.314
flat angles P-C4'-P energy: -37.924
tors. eta vs tors. theta energy: -18.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 468
Temperature: 1.200000
Total energy: -349.219076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.219076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.219076 (E_RNA)
where:
Base-Base interactions energy: -119.450
where: short stacking energy: -94.751
Base-Backbone interact. energy: -1.229
local terms energy: -228.539499
where:
bonds (distance) C4'-P energy: -63.712
bonds (distance) P-C4' energy: -60.857
flat angles C4'-P-C4' energy: -62.549
flat angles P-C4'-P energy: -49.036
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: 8, replica: 2
=====================================
Write number: 468
Temperature: 1.250000
Total energy: -417.351346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.351346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.351346 (E_RNA)
where:
Base-Base interactions energy: -193.400
where: short stacking energy: -115.388
Base-Backbone interact. energy: -2.096
local terms energy: -221.854739
where:
bonds (distance) C4'-P energy: -60.917
bonds (distance) P-C4' energy: -61.810
flat angles C4'-P-C4' energy: -54.622
flat angles P-C4'-P energy: -27.603
tors. eta vs tors. theta energy: -16.903
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 468
Temperature: 1.300000
Total energy: -280.968139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.968139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.968139 (E_RNA)
where:
Base-Base interactions energy: -80.020
where: short stacking energy: -75.083
Base-Backbone interact. energy: 1.588
local terms energy: -202.536231
where:
bonds (distance) C4'-P energy: -62.630
bonds (distance) P-C4' energy: -69.480
flat angles C4'-P-C4' energy: -54.508
flat angles P-C4'-P energy: -25.913
tors. eta vs tors. theta energy: 9.996
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 468
Temperature: 1.350000
Total energy: -276.163698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.163698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.163698 (E_RNA)
where:
Base-Base interactions energy: -90.148
where: short stacking energy: -80.532
Base-Backbone interact. energy: -0.371
local terms energy: -185.644404
where:
bonds (distance) C4'-P energy: -71.301
bonds (distance) P-C4' energy: -60.709
flat angles C4'-P-C4' energy: -39.196
flat angles P-C4'-P energy: -24.759
tors. eta vs tors. theta energy: 10.321
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 469
Temperature: 0.900000
Total energy: -1115.534030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1115.534030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1115.534030 (E_RNA)
where:
Base-Base interactions energy: -744.740
where: short stacking energy: -343.400
Base-Backbone interact. energy: -0.942
local terms energy: -369.851779
where:
bonds (distance) C4'-P energy: -71.089
bonds (distance) P-C4' energy: -64.519
flat angles C4'-P-C4' energy: -75.286
flat angles P-C4'-P energy: -54.297
tors. eta vs tors. theta energy: -104.662
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: 1
=====================================
Write number: 469
Temperature: 0.950000
Total energy: -1028.581697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1028.581697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1028.581697 (E_RNA)
where:
Base-Base interactions energy: -659.957
where: short stacking energy: -314.848
Base-Backbone interact. energy: -4.415
local terms energy: -364.210234
where:
bonds (distance) C4'-P energy: -65.548
bonds (distance) P-C4' energy: -71.799
flat angles C4'-P-C4' energy: -70.947
flat angles P-C4'-P energy: -48.805
tors. eta vs tors. theta energy: -107.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 469
Temperature: 1.000000
Total energy: -914.023005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -914.023005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -914.023005 (E_RNA)
where:
Base-Base interactions energy: -576.540
where: short stacking energy: -275.955
Base-Backbone interact. energy: -1.012
local terms energy: -336.470598
where:
bonds (distance) C4'-P energy: -67.690
bonds (distance) P-C4' energy: -61.598
flat angles C4'-P-C4' energy: -77.200
flat angles P-C4'-P energy: -44.643
tors. eta vs tors. theta energy: -85.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 469
Temperature: 1.050000
Total energy: -867.168210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -867.168210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -867.168210 (E_RNA)
where:
Base-Base interactions energy: -550.070
where: short stacking energy: -243.526
Base-Backbone interact. energy: -1.492
local terms energy: -315.606685
where:
bonds (distance) C4'-P energy: -68.366
bonds (distance) P-C4' energy: -60.551
flat angles C4'-P-C4' energy: -66.821
flat angles P-C4'-P energy: -49.209
tors. eta vs tors. theta energy: -70.659
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: 5, replica: 5
=====================================
Write number: 469
Temperature: 1.100000
Total energy: -606.934268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -606.934268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -606.934268 (E_RNA)
where:
Base-Base interactions energy: -346.863
where: short stacking energy: -184.514
Base-Backbone interact. energy: -1.080
local terms energy: -258.991007
where:
bonds (distance) C4'-P energy: -64.697
bonds (distance) P-C4' energy: -58.118
flat angles C4'-P-C4' energy: -59.073
flat angles P-C4'-P energy: -39.937
tors. eta vs tors. theta energy: -37.166
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 469
Temperature: 1.150000
Total energy: -536.971552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.971552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.971552 (E_RNA)
where:
Base-Base interactions energy: -293.598
where: short stacking energy: -161.672
Base-Backbone interact. energy: 5.934
local terms energy: -249.307671
where:
bonds (distance) C4'-P energy: -53.356
bonds (distance) P-C4' energy: -60.126
flat angles C4'-P-C4' energy: -73.207
flat angles P-C4'-P energy: -44.470
tors. eta vs tors. theta energy: -18.149
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: 9
=====================================
Write number: 469
Temperature: 1.200000
Total energy: -360.700916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.700916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.700916 (E_RNA)
where:
Base-Base interactions energy: -132.145
where: short stacking energy: -105.168
Base-Backbone interact. energy: 0.403
local terms energy: -228.959246
where:
bonds (distance) C4'-P energy: -63.333
bonds (distance) P-C4' energy: -72.073
flat angles C4'-P-C4' energy: -61.795
flat angles P-C4'-P energy: -21.923
tors. eta vs tors. theta energy: -9.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 469
Temperature: 1.250000
Total energy: -456.683039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -456.683039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -456.683039 (E_RNA)
where:
Base-Base interactions energy: -230.377
where: short stacking energy: -126.378
Base-Backbone interact. energy: 4.260
local terms energy: -230.565996
where:
bonds (distance) C4'-P energy: -61.819
bonds (distance) P-C4' energy: -54.609
flat angles C4'-P-C4' energy: -54.095
flat angles P-C4'-P energy: -40.492
tors. eta vs tors. theta energy: -19.550
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: 9, replica: 10
=====================================
Write number: 469
Temperature: 1.300000
Total energy: -324.574318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.574318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.574318 (E_RNA)
where:
Base-Base interactions energy: -128.889
where: short stacking energy: -92.140
Base-Backbone interact. energy: 1.378
local terms energy: -197.063694
where:
bonds (distance) C4'-P energy: -53.919
bonds (distance) P-C4' energy: -63.604
flat angles C4'-P-C4' energy: -50.713
flat angles P-C4'-P energy: -39.957
tors. eta vs tors. theta energy: 11.128
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 469
Temperature: 1.350000
Total energy: -273.621960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.621960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.621960 (E_RNA)
where:
Base-Base interactions energy: -83.603
where: short stacking energy: -69.346
Base-Backbone interact. energy: -1.225
local terms energy: -188.794844
where:
bonds (distance) C4'-P energy: -57.049
bonds (distance) P-C4' energy: -59.612
flat angles C4'-P-C4' energy: -41.876
flat angles P-C4'-P energy: -33.799
tors. eta vs tors. theta energy: 3.541
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 470
Temperature: 0.900000
Total energy: -1081.888872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1081.888872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1081.888872 (E_RNA)
where:
Base-Base interactions energy: -718.087
where: short stacking energy: -307.612
Base-Backbone interact. energy: -0.917
local terms energy: -362.885593
where:
bonds (distance) C4'-P energy: -66.121
bonds (distance) P-C4' energy: -72.783
flat angles C4'-P-C4' energy: -80.426
flat angles P-C4'-P energy: -42.688
tors. eta vs tors. theta energy: -100.868
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 470
Temperature: 0.950000
Total energy: -1020.064275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1020.064275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1020.064275 (E_RNA)
where:
Base-Base interactions energy: -660.392
where: short stacking energy: -305.592
Base-Backbone interact. energy: -1.273
local terms energy: -358.398674
where:
bonds (distance) C4'-P energy: -65.343
bonds (distance) P-C4' energy: -69.395
flat angles C4'-P-C4' energy: -69.006
flat angles P-C4'-P energy: -53.716
tors. eta vs tors. theta energy: -100.939
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 470
Temperature: 1.000000
Total energy: -902.607079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -902.607079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -902.607079 (E_RNA)
where:
Base-Base interactions energy: -565.504
where: short stacking energy: -275.468
Base-Backbone interact. energy: -2.192
local terms energy: -334.911707
where:
bonds (distance) C4'-P energy: -63.355
bonds (distance) P-C4' energy: -66.182
flat angles C4'-P-C4' energy: -75.799
flat angles P-C4'-P energy: -42.220
tors. eta vs tors. theta energy: -87.355
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 470
Temperature: 1.050000
Total energy: -871.484198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -871.484198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -871.484198 (E_RNA)
where:
Base-Base interactions energy: -583.304
where: short stacking energy: -241.585
Base-Backbone interact. energy: -0.645
local terms energy: -287.534331
where:
bonds (distance) C4'-P energy: -75.000
bonds (distance) P-C4' energy: -56.212
flat angles C4'-P-C4' energy: -58.015
flat angles P-C4'-P energy: -27.883
tors. eta vs tors. theta energy: -70.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 470
Temperature: 1.100000
Total energy: -584.800578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -584.800578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -584.800578 (E_RNA)
where:
Base-Base interactions energy: -340.488
where: short stacking energy: -176.539
Base-Backbone interact. energy: 0.483
local terms energy: -244.795461
where:
bonds (distance) C4'-P energy: -53.854
bonds (distance) P-C4' energy: -60.182
flat angles C4'-P-C4' energy: -60.169
flat angles P-C4'-P energy: -41.111
tors. eta vs tors. theta energy: -29.480
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 470
Temperature: 1.150000
Total energy: -543.854287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.854287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.854287 (E_RNA)
where:
Base-Base interactions energy: -313.294
where: short stacking energy: -156.911
Base-Backbone interact. energy: -1.552
local terms energy: -229.008887
where:
bonds (distance) C4'-P energy: -63.103
bonds (distance) P-C4' energy: -51.486
flat angles C4'-P-C4' energy: -52.698
flat angles P-C4'-P energy: -38.383
tors. eta vs tors. theta energy: -23.338
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: 7, replica: 2
=====================================
Write number: 470
Temperature: 1.200000
Total energy: -460.514339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -460.514339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -460.514339 (E_RNA)
where:
Base-Base interactions energy: -231.936
where: short stacking energy: -137.214
Base-Backbone interact. energy: 0.881
local terms energy: -229.459347
where:
bonds (distance) C4'-P energy: -57.325
bonds (distance) P-C4' energy: -73.241
flat angles C4'-P-C4' energy: -57.527
flat angles P-C4'-P energy: -33.512
tors. eta vs tors. theta energy: -7.854
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: 8, replica: 9
=====================================
Write number: 470
Temperature: 1.250000
Total energy: -355.620165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.620165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.620165 (E_RNA)
where:
Base-Base interactions energy: -142.460
where: short stacking energy: -105.027
Base-Backbone interact. energy: -3.188
local terms energy: -209.972230
where:
bonds (distance) C4'-P energy: -57.001
bonds (distance) P-C4' energy: -68.375
flat angles C4'-P-C4' energy: -45.711
flat angles P-C4'-P energy: -41.764
tors. eta vs tors. theta energy: 2.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 470
Temperature: 1.300000
Total energy: -294.076760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.076760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.076760 (E_RNA)
where:
Base-Base interactions energy: -79.322
where: short stacking energy: -68.465
Base-Backbone interact. energy: -0.407
local terms energy: -214.347206
where:
bonds (distance) C4'-P energy: -69.226
bonds (distance) P-C4' energy: -70.551
flat angles C4'-P-C4' energy: -53.517
flat angles P-C4'-P energy: -37.755
tors. eta vs tors. theta energy: 16.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 470
Temperature: 1.350000
Total energy: -274.552050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.552050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.552050 (E_RNA)
where:
Base-Base interactions energy: -81.488
where: short stacking energy: -71.925
Base-Backbone interact. energy: -2.384
local terms energy: -190.679528
where:
bonds (distance) C4'-P energy: -56.607
bonds (distance) P-C4' energy: -67.956
flat angles C4'-P-C4' energy: -54.242
flat angles P-C4'-P energy: -26.713
tors. eta vs tors. theta energy: 14.837
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 471
Temperature: 0.900000
Total energy: -1104.002446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1104.002446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1104.002446 (E_RNA)
where:
Base-Base interactions energy: -730.370
where: short stacking energy: -326.599
Base-Backbone interact. energy: -1.134
local terms energy: -372.497576
where:
bonds (distance) C4'-P energy: -67.242
bonds (distance) P-C4' energy: -68.392
flat angles C4'-P-C4' energy: -77.041
flat angles P-C4'-P energy: -55.151
tors. eta vs tors. theta energy: -104.672
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: 1
=====================================
Write number: 471
Temperature: 0.950000
Total energy: -994.202789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -994.202789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -994.202789 (E_RNA)
where:
Base-Base interactions energy: -649.221
where: short stacking energy: -303.417
Base-Backbone interact. energy: -2.098
local terms energy: -342.883454
where:
bonds (distance) C4'-P energy: -60.723
bonds (distance) P-C4' energy: -73.353
flat angles C4'-P-C4' energy: -56.436
flat angles P-C4'-P energy: -52.241
tors. eta vs tors. theta energy: -100.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 471
Temperature: 1.000000
Total energy: -929.353096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -929.353096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -929.353096 (E_RNA)
where:
Base-Base interactions energy: -606.147
where: short stacking energy: -281.393
Base-Backbone interact. energy: -0.367
local terms energy: -322.838667
where:
bonds (distance) C4'-P energy: -63.853
bonds (distance) P-C4' energy: -62.544
flat angles C4'-P-C4' energy: -75.372
flat angles P-C4'-P energy: -36.292
tors. eta vs tors. theta energy: -84.777
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: 6
=====================================
Write number: 471
Temperature: 1.050000
Total energy: -869.334350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -869.334350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -869.334350 (E_RNA)
where:
Base-Base interactions energy: -561.909
where: short stacking energy: -266.559
Base-Backbone interact. energy: -1.444
local terms energy: -305.981162
where:
bonds (distance) C4'-P energy: -63.278
bonds (distance) P-C4' energy: -49.486
flat angles C4'-P-C4' energy: -68.103
flat angles P-C4'-P energy: -46.259
tors. eta vs tors. theta energy: -78.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 471
Temperature: 1.100000
Total energy: -570.211852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -570.211852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -570.211852 (E_RNA)
where:
Base-Base interactions energy: -311.634
where: short stacking energy: -172.665
Base-Backbone interact. energy: -1.349
local terms energy: -257.228396
where:
bonds (distance) C4'-P energy: -59.508
bonds (distance) P-C4' energy: -56.508
flat angles C4'-P-C4' energy: -65.476
flat angles P-C4'-P energy: -43.349
tors. eta vs tors. theta energy: -32.387
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: 7
=====================================
Write number: 471
Temperature: 1.150000
Total energy: -571.190851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -571.190851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -571.190851 (E_RNA)
where:
Base-Base interactions energy: -332.633
where: short stacking energy: -144.707
Base-Backbone interact. energy: 1.292
local terms energy: -239.849869
where:
bonds (distance) C4'-P energy: -51.235
bonds (distance) P-C4' energy: -65.760
flat angles C4'-P-C4' energy: -61.842
flat angles P-C4'-P energy: -41.427
tors. eta vs tors. theta energy: -19.586
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: 2
=====================================
Write number: 471
Temperature: 1.200000
Total energy: -427.999025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -427.999025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -427.999025 (E_RNA)
where:
Base-Base interactions energy: -187.499
where: short stacking energy: -110.155
Base-Backbone interact. energy: -1.748
local terms energy: -238.751656
where:
bonds (distance) C4'-P energy: -63.523
bonds (distance) P-C4' energy: -58.089
flat angles C4'-P-C4' energy: -62.163
flat angles P-C4'-P energy: -36.449
tors. eta vs tors. theta energy: -18.527
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 471
Temperature: 1.250000
Total energy: -367.996208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.996208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.996208 (E_RNA)
where:
Base-Base interactions energy: -151.385
where: short stacking energy: -123.969
Base-Backbone interact. energy: 0.384
local terms energy: -216.995543
where:
bonds (distance) C4'-P energy: -63.336
bonds (distance) P-C4' energy: -62.409
flat angles C4'-P-C4' energy: -46.885
flat angles P-C4'-P energy: -35.081
tors. eta vs tors. theta energy: -9.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 471
Temperature: 1.300000
Total energy: -295.285523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.285523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.285523 (E_RNA)
where:
Base-Base interactions energy: -94.227
where: short stacking energy: -84.776
Base-Backbone interact. energy: 3.749
local terms energy: -204.807047
where:
bonds (distance) C4'-P energy: -66.234
bonds (distance) P-C4' energy: -54.071
flat angles C4'-P-C4' energy: -58.546
flat angles P-C4'-P energy: -30.281
tors. eta vs tors. theta energy: 4.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 471
Temperature: 1.350000
Total energy: -270.350394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.350394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.350394 (E_RNA)
where:
Base-Base interactions energy: -104.434
where: short stacking energy: -73.639
Base-Backbone interact. energy: -0.383
local terms energy: -165.533339
where:
bonds (distance) C4'-P energy: -44.513
bonds (distance) P-C4' energy: -52.239
flat angles C4'-P-C4' energy: -56.559
flat angles P-C4'-P energy: -25.120
tors. eta vs tors. theta energy: 12.897
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 472
Temperature: 0.900000
Total energy: -1098.491582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1098.491582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1098.491582 (E_RNA)
where:
Base-Base interactions energy: -727.588
where: short stacking energy: -315.513
Base-Backbone interact. energy: 1.164
local terms energy: -372.068373
where:
bonds (distance) C4'-P energy: -75.962
bonds (distance) P-C4' energy: -67.503
flat angles C4'-P-C4' energy: -73.751
flat angles P-C4'-P energy: -57.918
tors. eta vs tors. theta energy: -96.934
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: 1
=====================================
Write number: 472
Temperature: 0.950000
Total energy: -1006.992255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1006.992255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1006.992255 (E_RNA)
where:
Base-Base interactions energy: -658.179
where: short stacking energy: -306.151
Base-Backbone interact. energy: -1.510
local terms energy: -347.303008
where:
bonds (distance) C4'-P energy: -65.114
bonds (distance) P-C4' energy: -64.483
flat angles C4'-P-C4' energy: -72.371
flat angles P-C4'-P energy: -41.901
tors. eta vs tors. theta energy: -103.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 472
Temperature: 1.000000
Total energy: -918.082756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -918.082756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -918.082756 (E_RNA)
where:
Base-Base interactions energy: -587.817
where: short stacking energy: -273.425
Base-Backbone interact. energy: -0.802
local terms energy: -329.462985
where:
bonds (distance) C4'-P energy: -71.472
bonds (distance) P-C4' energy: -55.706
flat angles C4'-P-C4' energy: -63.874
flat angles P-C4'-P energy: -47.121
tors. eta vs tors. theta energy: -91.290
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 472
Temperature: 1.050000
Total energy: -855.461142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -855.461142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -855.461142 (E_RNA)
where:
Base-Base interactions energy: -549.482
where: short stacking energy: -255.902
Base-Backbone interact. energy: -2.224
local terms energy: -303.755152
where:
bonds (distance) C4'-P energy: -56.612
bonds (distance) P-C4' energy: -67.409
flat angles C4'-P-C4' energy: -63.540
flat angles P-C4'-P energy: -34.875
tors. eta vs tors. theta energy: -81.320
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 472
Temperature: 1.100000
Total energy: -578.011799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -578.011799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -578.011799 (E_RNA)
where:
Base-Base interactions energy: -328.542
where: short stacking energy: -167.626
Base-Backbone interact. energy: -1.733
local terms energy: -247.736644
where:
bonds (distance) C4'-P energy: -67.539
bonds (distance) P-C4' energy: -57.233
flat angles C4'-P-C4' energy: -62.676
flat angles P-C4'-P energy: -41.691
tors. eta vs tors. theta energy: -18.598
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 472
Temperature: 1.150000
Total energy: -541.265920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.265920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.265920 (E_RNA)
where:
Base-Base interactions energy: -298.476
where: short stacking energy: -150.648
Base-Backbone interact. energy: -1.975
local terms energy: -240.814657
where:
bonds (distance) C4'-P energy: -55.357
bonds (distance) P-C4' energy: -67.636
flat angles C4'-P-C4' energy: -55.604
flat angles P-C4'-P energy: -35.267
tors. eta vs tors. theta energy: -26.952
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: 2
=====================================
Write number: 472
Temperature: 1.200000
Total energy: -431.061972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -431.061972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -431.061972 (E_RNA)
where:
Base-Base interactions energy: -204.962
where: short stacking energy: -113.465
Base-Backbone interact. energy: 3.561
local terms energy: -229.660854
where:
bonds (distance) C4'-P energy: -56.903
bonds (distance) P-C4' energy: -47.542
flat angles C4'-P-C4' energy: -61.875
flat angles P-C4'-P energy: -41.992
tors. eta vs tors. theta energy: -21.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 472
Temperature: 1.250000
Total energy: -314.432669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.432669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.432669 (E_RNA)
where:
Base-Base interactions energy: -125.126
where: short stacking energy: -88.743
Base-Backbone interact. energy: -0.916
local terms energy: -188.390637
where:
bonds (distance) C4'-P energy: -53.572
bonds (distance) P-C4' energy: -62.703
flat angles C4'-P-C4' energy: -44.677
flat angles P-C4'-P energy: -37.722
tors. eta vs tors. theta energy: 10.284
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 472
Temperature: 1.300000
Total energy: -319.237666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.237666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.237666 (E_RNA)
where:
Base-Base interactions energy: -118.383
where: short stacking energy: -101.252
Base-Backbone interact. energy: -1.471
local terms energy: -199.383496
where:
bonds (distance) C4'-P energy: -49.289
bonds (distance) P-C4' energy: -68.218
flat angles C4'-P-C4' energy: -52.365
flat angles P-C4'-P energy: -31.551
tors. eta vs tors. theta energy: 2.040
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: 9
=====================================
Write number: 472
Temperature: 1.350000
Total energy: -275.828955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.828955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.828955 (E_RNA)
where:
Base-Base interactions energy: -84.688
where: short stacking energy: -70.015
Base-Backbone interact. energy: -0.567
local terms energy: -190.573991
where:
bonds (distance) C4'-P energy: -53.259
bonds (distance) P-C4' energy: -57.330
flat angles C4'-P-C4' energy: -49.529
flat angles P-C4'-P energy: -31.142
tors. eta vs tors. theta energy: 0.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 473
Temperature: 0.900000
Total energy: -1115.581272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1115.581272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1115.581272 (E_RNA)
where:
Base-Base interactions energy: -733.965
where: short stacking energy: -309.862
Base-Backbone interact. energy: 0.329
local terms energy: -381.945102
where:
bonds (distance) C4'-P energy: -69.430
bonds (distance) P-C4' energy: -75.185
flat angles C4'-P-C4' energy: -78.341
flat angles P-C4'-P energy: -49.892
tors. eta vs tors. theta energy: -109.098
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 473
Temperature: 0.950000
Total energy: -981.278711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -981.278711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -981.278711 (E_RNA)
where:
Base-Base interactions energy: -636.383
where: short stacking energy: -303.829
Base-Backbone interact. energy: -3.697
local terms energy: -341.198302
where:
bonds (distance) C4'-P energy: -64.016
bonds (distance) P-C4' energy: -68.568
flat angles C4'-P-C4' energy: -78.474
flat angles P-C4'-P energy: -41.962
tors. eta vs tors. theta energy: -88.179
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: 473
Temperature: 1.000000
Total energy: -943.009102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -943.009102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -943.009102 (E_RNA)
where:
Base-Base interactions energy: -584.472
where: short stacking energy: -280.795
Base-Backbone interact. energy: -1.801
local terms energy: -356.736761
where:
bonds (distance) C4'-P energy: -62.680
bonds (distance) P-C4' energy: -69.814
flat angles C4'-P-C4' energy: -74.522
flat angles P-C4'-P energy: -51.895
tors. eta vs tors. theta energy: -97.826
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: 6
=====================================
Write number: 473
Temperature: 1.050000
Total energy: -831.233146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -831.233146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -831.233146 (E_RNA)
where:
Base-Base interactions energy: -516.931
where: short stacking energy: -234.248
Base-Backbone interact. energy: 0.037
local terms energy: -314.339696
where:
bonds (distance) C4'-P energy: -66.473
bonds (distance) P-C4' energy: -64.685
flat angles C4'-P-C4' energy: -69.820
flat angles P-C4'-P energy: -39.478
tors. eta vs tors. theta energy: -73.883
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 473
Temperature: 1.100000
Total energy: -529.773946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.773946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.773946 (E_RNA)
where:
Base-Base interactions energy: -282.715
where: short stacking energy: -145.674
Base-Backbone interact. energy: 1.501
local terms energy: -248.559602
where:
bonds (distance) C4'-P energy: -65.719
bonds (distance) P-C4' energy: -72.780
flat angles C4'-P-C4' energy: -53.770
flat angles P-C4'-P energy: -38.106
tors. eta vs tors. theta energy: -18.185
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 473
Temperature: 1.150000
Total energy: -540.619329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.619329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.619329 (E_RNA)
where:
Base-Base interactions energy: -286.832
where: short stacking energy: -149.364
Base-Backbone interact. energy: -0.622
local terms energy: -253.165134
where:
bonds (distance) C4'-P energy: -64.207
bonds (distance) P-C4' energy: -70.631
flat angles C4'-P-C4' energy: -59.280
flat angles P-C4'-P energy: -36.337
tors. eta vs tors. theta energy: -22.709
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: 2
=====================================
Write number: 473
Temperature: 1.200000
Total energy: -425.269727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -425.269727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -425.269727 (E_RNA)
where:
Base-Base interactions energy: -206.103
where: short stacking energy: -141.732
Base-Backbone interact. energy: -1.075
local terms energy: -218.091832
where:
bonds (distance) C4'-P energy: -47.251
bonds (distance) P-C4' energy: -65.963
flat angles C4'-P-C4' energy: -52.391
flat angles P-C4'-P energy: -38.435
tors. eta vs tors. theta energy: -14.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 473
Temperature: 1.250000
Total energy: -347.837561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.837561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.837561 (E_RNA)
where:
Base-Base interactions energy: -131.462
where: short stacking energy: -107.090
Base-Backbone interact. energy: 3.088
local terms energy: -219.464092
where:
bonds (distance) C4'-P energy: -56.290
bonds (distance) P-C4' energy: -59.970
flat angles C4'-P-C4' energy: -58.260
flat angles P-C4'-P energy: -34.098
tors. eta vs tors. theta energy: -10.847
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 473
Temperature: 1.300000
Total energy: -292.560742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.560742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.560742 (E_RNA)
where:
Base-Base interactions energy: -95.195
where: short stacking energy: -68.552
Base-Backbone interact. energy: 0.466
local terms energy: -197.831484
where:
bonds (distance) C4'-P energy: -58.290
bonds (distance) P-C4' energy: -57.221
flat angles C4'-P-C4' energy: -54.810
flat angles P-C4'-P energy: -36.607
tors. eta vs tors. theta energy: 9.097
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 473
Temperature: 1.350000
Total energy: -258.100023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.100023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.100023 (E_RNA)
where:
Base-Base interactions energy: -90.237
where: short stacking energy: -76.879
Base-Backbone interact. energy: -0.678
local terms energy: -167.185607
where:
bonds (distance) C4'-P energy: -50.558
bonds (distance) P-C4' energy: -51.995
flat angles C4'-P-C4' energy: -39.571
flat angles P-C4'-P energy: -31.461
tors. eta vs tors. theta energy: 6.400
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: 4
=====================================
Write number: 474
Temperature: 0.900000
Total energy: -1112.865354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1112.865354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1112.865354 (E_RNA)
where:
Base-Base interactions energy: -736.215
where: short stacking energy: -323.206
Base-Backbone interact. energy: -1.261
local terms energy: -375.388989
where:
bonds (distance) C4'-P energy: -75.577
bonds (distance) P-C4' energy: -64.414
flat angles C4'-P-C4' energy: -82.588
flat angles P-C4'-P energy: -43.135
tors. eta vs tors. theta energy: -109.675
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 474
Temperature: 0.950000
Total energy: -1009.203601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1009.203601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1009.203601 (E_RNA)
where:
Base-Base interactions energy: -662.926
where: short stacking energy: -318.564
Base-Backbone interact. energy: 0.058
local terms energy: -346.335617
where:
bonds (distance) C4'-P energy: -66.547
bonds (distance) P-C4' energy: -66.330
flat angles C4'-P-C4' energy: -66.404
flat angles P-C4'-P energy: -50.611
tors. eta vs tors. theta energy: -96.444
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 474
Temperature: 1.000000
Total energy: -932.424225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -932.424225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -932.424225 (E_RNA)
where:
Base-Base interactions energy: -584.648
where: short stacking energy: -285.528
Base-Backbone interact. energy: 3.759
local terms energy: -351.536009
where:
bonds (distance) C4'-P energy: -62.183
bonds (distance) P-C4' energy: -75.817
flat angles C4'-P-C4' energy: -73.963
flat angles P-C4'-P energy: -49.757
tors. eta vs tors. theta energy: -89.816
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: 6
=====================================
Write number: 474
Temperature: 1.050000
Total energy: -812.489102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -812.489102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -812.489102 (E_RNA)
where:
Base-Base interactions energy: -526.442
where: short stacking energy: -243.311
Base-Backbone interact. energy: 2.578
local terms energy: -288.624661
where:
bonds (distance) C4'-P energy: -65.038
bonds (distance) P-C4' energy: -70.046
flat angles C4'-P-C4' energy: -64.917
flat angles P-C4'-P energy: -25.362
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: 5, replica: 5
=====================================
Write number: 474
Temperature: 1.100000
Total energy: -565.647445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -565.647445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -565.647445 (E_RNA)
where:
Base-Base interactions energy: -311.620
where: short stacking energy: -156.305
Base-Backbone interact. energy: 9.519
local terms energy: -263.547098
where:
bonds (distance) C4'-P energy: -71.531
bonds (distance) P-C4' energy: -69.668
flat angles C4'-P-C4' energy: -64.838
flat angles P-C4'-P energy: -37.615
tors. eta vs tors. theta energy: -19.894
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: 7
=====================================
Write number: 474
Temperature: 1.150000
Total energy: -484.820859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -484.820859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -484.820859 (E_RNA)
where:
Base-Base interactions energy: -251.452
where: short stacking energy: -134.782
Base-Backbone interact. energy: -1.754
local terms energy: -231.614612
where:
bonds (distance) C4'-P energy: -55.208
bonds (distance) P-C4' energy: -65.569
flat angles C4'-P-C4' energy: -66.087
flat angles P-C4'-P energy: -34.029
tors. eta vs tors. theta energy: -10.722
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: 2
=====================================
Write number: 474
Temperature: 1.200000
Total energy: -446.325917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -446.325917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -446.325917 (E_RNA)
where:
Base-Base interactions energy: -214.355
where: short stacking energy: -117.611
Base-Backbone interact. energy: -0.673
local terms energy: -231.297727
where:
bonds (distance) C4'-P energy: -68.739
bonds (distance) P-C4' energy: -56.219
flat angles C4'-P-C4' energy: -49.175
flat angles P-C4'-P energy: -36.540
tors. eta vs tors. theta energy: -20.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 474
Temperature: 1.250000
Total energy: -305.094765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.094765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.094765 (E_RNA)
where:
Base-Base interactions energy: -109.194
where: short stacking energy: -89.473
Base-Backbone interact. energy: 1.367
local terms energy: -197.268101
where:
bonds (distance) C4'-P energy: -42.050
bonds (distance) P-C4' energy: -56.111
flat angles C4'-P-C4' energy: -59.816
flat angles P-C4'-P energy: -37.719
tors. eta vs tors. theta energy: -1.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 474
Temperature: 1.300000
Total energy: -293.721669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.721669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.721669 (E_RNA)
where:
Base-Base interactions energy: -102.444
where: short stacking energy: -82.012
Base-Backbone interact. energy: -1.030
local terms energy: -190.247590
where:
bonds (distance) C4'-P energy: -61.324
bonds (distance) P-C4' energy: -65.277
flat angles C4'-P-C4' energy: -40.233
flat angles P-C4'-P energy: -33.176
tors. eta vs tors. theta energy: 9.762
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: 8
=====================================
Write number: 474
Temperature: 1.350000
Total energy: -276.853092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.853092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.853092 (E_RNA)
where:
Base-Base interactions energy: -76.484
where: short stacking energy: -75.373
Base-Backbone interact. energy: 0.386
local terms energy: -200.755596
where:
bonds (distance) C4'-P energy: -64.528
bonds (distance) P-C4' energy: -60.165
flat angles C4'-P-C4' energy: -54.333
flat angles P-C4'-P energy: -28.961
tors. eta vs tors. theta energy: 7.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 475
Temperature: 0.900000
Total energy: -1121.056070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1121.056070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1121.056070 (E_RNA)
where:
Base-Base interactions energy: -746.786
where: short stacking energy: -335.401
Base-Backbone interact. energy: -0.430
local terms energy: -373.839869
where:
bonds (distance) C4'-P energy: -71.864
bonds (distance) P-C4' energy: -74.449
flat angles C4'-P-C4' energy: -74.955
flat angles P-C4'-P energy: -48.120
tors. eta vs tors. theta energy: -104.451
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 475
Temperature: 0.950000
Total energy: -1004.225399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1004.225399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1004.225399 (E_RNA)
where:
Base-Base interactions energy: -644.477
where: short stacking energy: -293.680
Base-Backbone interact. energy: -1.899
local terms energy: -357.848866
where:
bonds (distance) C4'-P energy: -58.411
bonds (distance) P-C4' energy: -78.192
flat angles C4'-P-C4' energy: -80.601
flat angles P-C4'-P energy: -39.619
tors. eta vs tors. theta energy: -101.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 475
Temperature: 1.000000
Total energy: -919.564259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -919.564259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -919.564259 (E_RNA)
where:
Base-Base interactions energy: -575.585
where: short stacking energy: -279.001
Base-Backbone interact. energy: -0.456
local terms energy: -343.523242
where:
bonds (distance) C4'-P energy: -59.022
bonds (distance) P-C4' energy: -76.472
flat angles C4'-P-C4' energy: -74.112
flat angles P-C4'-P energy: -45.195
tors. eta vs tors. theta energy: -88.722
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: 4, replica: 6
=====================================
Write number: 475
Temperature: 1.050000
Total energy: -853.364075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -853.364075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -853.364075 (E_RNA)
where:
Base-Base interactions energy: -562.078
where: short stacking energy: -240.185
Base-Backbone interact. energy: -1.581
local terms energy: -289.704830
where:
bonds (distance) C4'-P energy: -61.158
bonds (distance) P-C4' energy: -67.214
flat angles C4'-P-C4' energy: -59.384
flat angles P-C4'-P energy: -43.692
tors. eta vs tors. theta energy: -58.256
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 475
Temperature: 1.100000
Total energy: -622.922358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -622.922358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -622.922358 (E_RNA)
where:
Base-Base interactions energy: -338.942
where: short stacking energy: -207.221
Base-Backbone interact. energy: -1.992
local terms energy: -281.987662
where:
bonds (distance) C4'-P energy: -66.905
bonds (distance) P-C4' energy: -71.842
flat angles C4'-P-C4' energy: -67.989
flat angles P-C4'-P energy: -26.923
tors. eta vs tors. theta energy: -48.328
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: 6, replica: 2
=====================================
Write number: 475
Temperature: 1.150000
Total energy: -486.730380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -486.730380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -486.730380 (E_RNA)
where:
Base-Base interactions energy: -215.647
where: short stacking energy: -140.013
Base-Backbone interact. energy: -0.000
local terms energy: -271.082632
where:
bonds (distance) C4'-P energy: -57.319
bonds (distance) P-C4' energy: -72.264
flat angles C4'-P-C4' energy: -72.471
flat angles P-C4'-P energy: -45.370
tors. eta vs tors. theta energy: -23.658
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 475
Temperature: 1.200000
Total energy: -470.795644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -470.795644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -470.795644 (E_RNA)
where:
Base-Base interactions energy: -241.774
where: short stacking energy: -117.106
Base-Backbone interact. energy: -0.840
local terms energy: -228.182359
where:
bonds (distance) C4'-P energy: -60.924
bonds (distance) P-C4' energy: -71.542
flat angles C4'-P-C4' energy: -66.111
flat angles P-C4'-P energy: -27.184
tors. eta vs tors. theta energy: -2.422
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: 9
=====================================
Write number: 475
Temperature: 1.250000
Total energy: -317.580227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.580227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.580227 (E_RNA)
where:
Base-Base interactions energy: -125.601
where: short stacking energy: -100.552
Base-Backbone interact. energy: -0.508
local terms energy: -191.471027
where:
bonds (distance) C4'-P energy: -50.359
bonds (distance) P-C4' energy: -62.893
flat angles C4'-P-C4' energy: -45.295
flat angles P-C4'-P energy: -32.034
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: 9, replica: 10
=====================================
Write number: 475
Temperature: 1.300000
Total energy: -293.404477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.404477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.404477 (E_RNA)
where:
Base-Base interactions energy: -96.638
where: short stacking energy: -57.029
Base-Backbone interact. energy: -2.302
local terms energy: -194.464059
where:
bonds (distance) C4'-P energy: -64.520
bonds (distance) P-C4' energy: -63.127
flat angles C4'-P-C4' energy: -54.018
flat angles P-C4'-P energy: -29.076
tors. eta vs tors. theta energy: 16.277
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: 8
=====================================
Write number: 475
Temperature: 1.350000
Total energy: -258.312875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.312875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.312875 (E_RNA)
where:
Base-Base interactions energy: -86.524
where: short stacking energy: -76.925
Base-Backbone interact. energy: -0.383
local terms energy: -171.405737
where:
bonds (distance) C4'-P energy: -65.055
bonds (distance) P-C4' energy: -46.799
flat angles C4'-P-C4' energy: -46.120
flat angles P-C4'-P energy: -22.119
tors. eta vs tors. theta energy: 8.688
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: 4
=====================================
Write number: 476
Temperature: 0.900000
Total energy: -1126.860298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1126.860298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1126.860298 (E_RNA)
where:
Base-Base interactions energy: -747.038
where: short stacking energy: -344.173
Base-Backbone interact. energy: -0.670
local terms energy: -379.151516
where:
bonds (distance) C4'-P energy: -63.732
bonds (distance) P-C4' energy: -70.820
flat angles C4'-P-C4' energy: -76.634
flat angles P-C4'-P energy: -56.728
tors. eta vs tors. theta energy: -111.238
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 476
Temperature: 0.950000
Total energy: -996.380154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -996.380154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -996.380154 (E_RNA)
where:
Base-Base interactions energy: -649.965
where: short stacking energy: -299.867
Base-Backbone interact. energy: -2.552
local terms energy: -343.863055
where:
bonds (distance) C4'-P energy: -59.746
bonds (distance) P-C4' energy: -61.749
flat angles C4'-P-C4' energy: -73.311
flat angles P-C4'-P energy: -55.302
tors. eta vs tors. theta energy: -93.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 476
Temperature: 1.000000
Total energy: -883.502413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -883.502413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -883.502413 (E_RNA)
where:
Base-Base interactions energy: -567.687
where: short stacking energy: -246.820
Base-Backbone interact. energy: -1.475
local terms energy: -314.340709
where:
bonds (distance) C4'-P energy: -54.351
bonds (distance) P-C4' energy: -69.317
flat angles C4'-P-C4' energy: -63.236
flat angles P-C4'-P energy: -50.923
tors. eta vs tors. theta energy: -76.514
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 476
Temperature: 1.050000
Total energy: -892.293538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -892.293538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -892.293538 (E_RNA)
where:
Base-Base interactions energy: -573.362
where: short stacking energy: -270.993
Base-Backbone interact. energy: -0.670
local terms energy: -318.261712
where:
bonds (distance) C4'-P energy: -70.490
bonds (distance) P-C4' energy: -50.852
flat angles C4'-P-C4' energy: -66.768
flat angles P-C4'-P energy: -47.137
tors. eta vs tors. theta energy: -83.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 476
Temperature: 1.100000
Total energy: -595.506873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -595.506873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -595.506873 (E_RNA)
where:
Base-Base interactions energy: -318.307
where: short stacking energy: -170.546
Base-Backbone interact. energy: -0.628
local terms energy: -276.571778
where:
bonds (distance) C4'-P energy: -61.254
bonds (distance) P-C4' energy: -73.723
flat angles C4'-P-C4' energy: -70.476
flat angles P-C4'-P energy: -35.489
tors. eta vs tors. theta energy: -35.630
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 476
Temperature: 1.150000
Total energy: -491.165448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.165448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.165448 (E_RNA)
where:
Base-Base interactions energy: -257.333
where: short stacking energy: -145.031
Base-Backbone interact. energy: -1.884
local terms energy: -231.948479
where:
bonds (distance) C4'-P energy: -62.967
bonds (distance) P-C4' energy: -68.767
flat angles C4'-P-C4' energy: -55.191
flat angles P-C4'-P energy: -31.803
tors. eta vs tors. theta energy: -13.221
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: 7
=====================================
Write number: 476
Temperature: 1.200000
Total energy: -458.049738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -458.049738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -458.049738 (E_RNA)
where:
Base-Base interactions energy: -218.846
where: short stacking energy: -119.097
Base-Backbone interact. energy: -0.465
local terms energy: -238.738712
where:
bonds (distance) C4'-P energy: -67.039
bonds (distance) P-C4' energy: -65.520
flat angles C4'-P-C4' energy: -63.677
flat angles P-C4'-P energy: -17.292
tors. eta vs tors. theta energy: -25.210
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 476
Temperature: 1.250000
Total energy: -317.899289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.899289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.899289 (E_RNA)
where:
Base-Base interactions energy: -99.712
where: short stacking energy: -72.538
Base-Backbone interact. energy: -0.716
local terms energy: -217.471845
where:
bonds (distance) C4'-P energy: -57.359
bonds (distance) P-C4' energy: -69.912
flat angles C4'-P-C4' energy: -46.671
flat angles P-C4'-P energy: -47.002
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: 9, replica: 8
=====================================
Write number: 476
Temperature: 1.300000
Total energy: -311.503682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.503682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.503682 (E_RNA)
where:
Base-Base interactions energy: -104.660
where: short stacking energy: -65.809
Base-Backbone interact. energy: 1.563
local terms energy: -208.407457
where:
bonds (distance) C4'-P energy: -57.165
bonds (distance) P-C4' energy: -75.271
flat angles C4'-P-C4' energy: -41.261
flat angles P-C4'-P energy: -31.682
tors. eta vs tors. theta energy: -3.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 476
Temperature: 1.350000
Total energy: -280.168278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.168278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.168278 (E_RNA)
where:
Base-Base interactions energy: -105.119
where: short stacking energy: -84.493
Base-Backbone interact. energy: -1.274
local terms energy: -173.775688
where:
bonds (distance) C4'-P energy: -58.421
bonds (distance) P-C4' energy: -52.983
flat angles C4'-P-C4' energy: -33.198
flat angles P-C4'-P energy: -29.158
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: 1, replica: 4
=====================================
Write number: 477
Temperature: 0.900000
Total energy: -1107.132065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1107.132065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1107.132065 (E_RNA)
where:
Base-Base interactions energy: -751.072
where: short stacking energy: -333.797
Base-Backbone interact. energy: -1.362
local terms energy: -354.698218
where:
bonds (distance) C4'-P energy: -68.043
bonds (distance) P-C4' energy: -52.057
flat angles C4'-P-C4' energy: -81.112
flat angles P-C4'-P energy: -49.408
tors. eta vs tors. theta energy: -104.079
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: 1
=====================================
Write number: 477
Temperature: 0.950000
Total energy: -1020.073582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1020.073582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1020.073582 (E_RNA)
where:
Base-Base interactions energy: -657.512
where: short stacking energy: -302.407
Base-Backbone interact. energy: -1.716
local terms energy: -360.845576
where:
bonds (distance) C4'-P energy: -73.190
bonds (distance) P-C4' energy: -64.757
flat angles C4'-P-C4' energy: -66.262
flat angles P-C4'-P energy: -58.663
tors. eta vs tors. theta energy: -97.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 477
Temperature: 1.000000
Total energy: -964.658391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -964.658391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -964.658391 (E_RNA)
where:
Base-Base interactions energy: -625.849
where: short stacking energy: -279.254
Base-Backbone interact. energy: 0.186
local terms energy: -338.995193
where:
bonds (distance) C4'-P energy: -64.142
bonds (distance) P-C4' energy: -73.031
flat angles C4'-P-C4' energy: -71.619
flat angles P-C4'-P energy: -48.431
tors. eta vs tors. theta energy: -81.771
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: 3
=====================================
Write number: 477
Temperature: 1.050000
Total energy: -889.047899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -889.047899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -889.047899 (E_RNA)
where:
Base-Base interactions energy: -573.240
where: short stacking energy: -262.303
Base-Backbone interact. energy: -1.116
local terms energy: -314.691697
where:
bonds (distance) C4'-P energy: -58.321
bonds (distance) P-C4' energy: -55.106
flat angles C4'-P-C4' energy: -68.229
flat angles P-C4'-P energy: -42.304
tors. eta vs tors. theta energy: -90.732
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: 5, replica: 5
=====================================
Write number: 477
Temperature: 1.100000
Total energy: -632.133187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -632.133187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -632.133187 (E_RNA)
where:
Base-Base interactions energy: -347.601
where: short stacking energy: -195.102
Base-Backbone interact. energy: 1.992
local terms energy: -286.524391
where:
bonds (distance) C4'-P energy: -55.842
bonds (distance) P-C4' energy: -71.629
flat angles C4'-P-C4' energy: -63.449
flat angles P-C4'-P energy: -53.607
tors. eta vs tors. theta energy: -41.997
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: 7
=====================================
Write number: 477
Temperature: 1.150000
Total energy: -480.707711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -480.707711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -480.707711 (E_RNA)
where:
Base-Base interactions energy: -267.619
where: short stacking energy: -127.570
Base-Backbone interact. energy: -1.743
local terms energy: -211.346210
where:
bonds (distance) C4'-P energy: -56.079
bonds (distance) P-C4' energy: -58.756
flat angles C4'-P-C4' energy: -51.968
flat angles P-C4'-P energy: -40.451
tors. eta vs tors. theta energy: -4.093
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 477
Temperature: 1.200000
Total energy: -477.053754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -477.053754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -477.053754 (E_RNA)
where:
Base-Base interactions energy: -226.172
where: short stacking energy: -135.427
Base-Backbone interact. energy: -1.245
local terms energy: -249.636751
where:
bonds (distance) C4'-P energy: -58.125
bonds (distance) P-C4' energy: -75.044
flat angles C4'-P-C4' energy: -60.987
flat angles P-C4'-P energy: -35.610
tors. eta vs tors. theta energy: -19.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 477
Temperature: 1.250000
Total energy: -302.395048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.395048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.395048 (E_RNA)
where:
Base-Base interactions energy: -101.964
where: short stacking energy: -68.088
Base-Backbone interact. energy: 3.828
local terms energy: -204.258863
where:
bonds (distance) C4'-P energy: -65.012
bonds (distance) P-C4' energy: -75.412
flat angles C4'-P-C4' energy: -46.131
flat angles P-C4'-P energy: -33.603
tors. eta vs tors. theta energy: 15.899
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: 9, replica: 8
=====================================
Write number: 477
Temperature: 1.300000
Total energy: -295.024730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.024730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.024730 (E_RNA)
where:
Base-Base interactions energy: -122.354
where: short stacking energy: -100.762
Base-Backbone interact. energy: 1.887
local terms energy: -174.557907
where:
bonds (distance) C4'-P energy: -58.972
bonds (distance) P-C4' energy: -45.306
flat angles C4'-P-C4' energy: -35.794
flat angles P-C4'-P energy: -23.661
tors. eta vs tors. theta energy: -10.825
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 477
Temperature: 1.350000
Total energy: -282.312302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.312302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.312302 (E_RNA)
where:
Base-Base interactions energy: -116.958
where: short stacking energy: -83.932
Base-Backbone interact. energy: -1.195
local terms energy: -164.159346
where:
bonds (distance) C4'-P energy: -53.016
bonds (distance) P-C4' energy: -57.372
flat angles C4'-P-C4' energy: -43.518
flat angles P-C4'-P energy: -24.652
tors. eta vs tors. theta energy: 14.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 478
Temperature: 0.900000
Total energy: -1105.722937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1105.722937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1105.722937 (E_RNA)
where:
Base-Base interactions energy: -733.316
where: short stacking energy: -312.817
Base-Backbone interact. energy: -1.336
local terms energy: -371.071554
where:
bonds (distance) C4'-P energy: -71.454
bonds (distance) P-C4' energy: -71.789
flat angles C4'-P-C4' energy: -72.582
flat angles P-C4'-P energy: -52.267
tors. eta vs tors. theta energy: -102.979
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: 478
Temperature: 0.950000
Total energy: -984.270637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -984.270637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -984.270637 (E_RNA)
where:
Base-Base interactions energy: -630.563
where: short stacking energy: -291.639
Base-Backbone interact. energy: -2.827
local terms energy: -350.880605
where:
bonds (distance) C4'-P energy: -64.281
bonds (distance) P-C4' energy: -72.421
flat angles C4'-P-C4' energy: -71.407
flat angles P-C4'-P energy: -43.998
tors. eta vs tors. theta energy: -98.774
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: 6
=====================================
Write number: 478
Temperature: 1.000000
Total energy: -914.583117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -914.583117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -914.583117 (E_RNA)
where:
Base-Base interactions energy: -587.037
where: short stacking energy: -267.997
Base-Backbone interact. energy: -1.762
local terms energy: -325.784131
where:
bonds (distance) C4'-P energy: -67.289
bonds (distance) P-C4' energy: -63.929
flat angles C4'-P-C4' energy: -72.004
flat angles P-C4'-P energy: -47.323
tors. eta vs tors. theta energy: -75.239
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 478
Temperature: 1.050000
Total energy: -930.619753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -930.619753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -930.619753 (E_RNA)
where:
Base-Base interactions energy: -583.272
where: short stacking energy: -288.615
Base-Backbone interact. energy: -2.353
local terms energy: -344.994534
where:
bonds (distance) C4'-P energy: -53.598
bonds (distance) P-C4' energy: -70.178
flat angles C4'-P-C4' energy: -73.454
flat angles P-C4'-P energy: -46.366
tors. eta vs tors. theta energy: -101.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 478
Temperature: 1.100000
Total energy: -634.970965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -634.970965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -634.970965 (E_RNA)
where:
Base-Base interactions energy: -368.475
where: short stacking energy: -184.908
Base-Backbone interact. energy: -0.712
local terms energy: -265.784334
where:
bonds (distance) C4'-P energy: -56.491
bonds (distance) P-C4' energy: -64.141
flat angles C4'-P-C4' energy: -57.851
flat angles P-C4'-P energy: -41.536
tors. eta vs tors. theta energy: -45.765
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: 6, replica: 7
=====================================
Write number: 478
Temperature: 1.150000
Total energy: -485.667470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.667470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -485.667470 (E_RNA)
where:
Base-Base interactions energy: -245.945
where: short stacking energy: -150.514
Base-Backbone interact. energy: -0.701
local terms energy: -239.021491
where:
bonds (distance) C4'-P energy: -49.908
bonds (distance) P-C4' energy: -67.771
flat angles C4'-P-C4' energy: -64.282
flat angles P-C4'-P energy: -27.870
tors. eta vs tors. theta energy: -29.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 478
Temperature: 1.200000
Total energy: -475.185859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -475.185859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -475.185859 (E_RNA)
where:
Base-Base interactions energy: -242.913
where: short stacking energy: -132.720
Base-Backbone interact. energy: -1.247
local terms energy: -231.026274
where:
bonds (distance) C4'-P energy: -59.051
bonds (distance) P-C4' energy: -61.440
flat angles C4'-P-C4' energy: -57.906
flat angles P-C4'-P energy: -29.122
tors. eta vs tors. theta energy: -23.507
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: 9
=====================================
Write number: 478
Temperature: 1.250000
Total energy: -305.904225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.904225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.904225 (E_RNA)
where:
Base-Base interactions energy: -96.650
where: short stacking energy: -90.214
Base-Backbone interact. energy: 0.450
local terms energy: -209.704501
where:
bonds (distance) C4'-P energy: -60.001
bonds (distance) P-C4' energy: -63.919
flat angles C4'-P-C4' energy: -55.289
flat angles P-C4'-P energy: -39.038
tors. eta vs tors. theta energy: 8.542
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 478
Temperature: 1.300000
Total energy: -309.172734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.172734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.172734 (E_RNA)
where:
Base-Base interactions energy: -97.391
where: short stacking energy: -81.252
Base-Backbone interact. energy: -0.991
local terms energy: -210.790121
where:
bonds (distance) C4'-P energy: -55.016
bonds (distance) P-C4' energy: -60.969
flat angles C4'-P-C4' energy: -52.220
flat angles P-C4'-P energy: -42.008
tors. eta vs tors. theta energy: -0.576
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 478
Temperature: 1.350000
Total energy: -273.120157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.120157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.120157 (E_RNA)
where:
Base-Base interactions energy: -107.665
where: short stacking energy: -69.108
Base-Backbone interact. energy: 2.181
local terms energy: -167.636244
where:
bonds (distance) C4'-P energy: -44.050
bonds (distance) P-C4' energy: -58.071
flat angles C4'-P-C4' energy: -54.276
flat angles P-C4'-P energy: -30.177
tors. eta vs tors. theta energy: 18.938
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 479
Temperature: 0.900000
Total energy: -1105.022952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1105.022952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1105.022952 (E_RNA)
where:
Base-Base interactions energy: -743.783
where: short stacking energy: -323.596
Base-Backbone interact. energy: 2.261
local terms energy: -363.501394
where:
bonds (distance) C4'-P energy: -68.278
bonds (distance) P-C4' energy: -63.528
flat angles C4'-P-C4' energy: -70.557
flat angles P-C4'-P energy: -52.346
tors. eta vs tors. theta energy: -108.793
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: 1
=====================================
Write number: 479
Temperature: 0.950000
Total energy: -1006.630597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1006.630597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1006.630597 (E_RNA)
where:
Base-Base interactions energy: -642.913
where: short stacking energy: -295.749
Base-Backbone interact. energy: -1.944
local terms energy: -361.774370
where:
bonds (distance) C4'-P energy: -69.326
bonds (distance) P-C4' energy: -74.424
flat angles C4'-P-C4' energy: -71.480
flat angles P-C4'-P energy: -47.347
tors. eta vs tors. theta energy: -99.197
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: 6
=====================================
Write number: 479
Temperature: 1.000000
Total energy: -961.784245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -961.784245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -961.784245 (E_RNA)
where:
Base-Base interactions energy: -625.169
where: short stacking energy: -279.765
Base-Backbone interact. energy: -0.135
local terms energy: -336.480313
where:
bonds (distance) C4'-P energy: -60.084
bonds (distance) P-C4' energy: -74.514
flat angles C4'-P-C4' energy: -65.815
flat angles P-C4'-P energy: -45.095
tors. eta vs tors. theta energy: -90.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 479
Temperature: 1.050000
Total energy: -934.748231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -934.748231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -934.748231 (E_RNA)
where:
Base-Base interactions energy: -592.596
where: short stacking energy: -269.415
Base-Backbone interact. energy: -0.759
local terms energy: -341.393305
where:
bonds (distance) C4'-P energy: -65.462
bonds (distance) P-C4' energy: -70.849
flat angles C4'-P-C4' energy: -71.178
flat angles P-C4'-P energy: -40.661
tors. eta vs tors. theta energy: -93.243
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: 5, replica: 5
=====================================
Write number: 479
Temperature: 1.100000
Total energy: -644.388906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -644.388906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -644.388906 (E_RNA)
where:
Base-Base interactions energy: -358.013
where: short stacking energy: -178.083
Base-Backbone interact. energy: 0.591
local terms energy: -286.967178
where:
bonds (distance) C4'-P energy: -64.187
bonds (distance) P-C4' energy: -67.477
flat angles C4'-P-C4' energy: -72.957
flat angles P-C4'-P energy: -36.317
tors. eta vs tors. theta energy: -46.029
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: 7
=====================================
Write number: 479
Temperature: 1.150000
Total energy: -522.286961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.286961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.286961 (E_RNA)
where:
Base-Base interactions energy: -279.507
where: short stacking energy: -137.902
Base-Backbone interact. energy: -1.874
local terms energy: -240.906268
where:
bonds (distance) C4'-P energy: -56.859
bonds (distance) P-C4' energy: -67.294
flat angles C4'-P-C4' energy: -55.800
flat angles P-C4'-P energy: -32.986
tors. eta vs tors. theta energy: -27.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 479
Temperature: 1.200000
Total energy: -503.379051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -503.379051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.379051 (E_RNA)
where:
Base-Base interactions energy: -278.836
where: short stacking energy: -146.191
Base-Backbone interact. energy: -1.162
local terms energy: -223.381386
where:
bonds (distance) C4'-P energy: -62.752
bonds (distance) P-C4' energy: -59.655
flat angles C4'-P-C4' energy: -62.856
flat angles P-C4'-P energy: -23.900
tors. eta vs tors. theta energy: -14.218
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: 8
=====================================
Write number: 479
Temperature: 1.250000
Total energy: -308.056827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.056827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.056827 (E_RNA)
where:
Base-Base interactions energy: -109.182
where: short stacking energy: -90.837
Base-Backbone interact. energy: 2.008
local terms energy: -200.882160
where:
bonds (distance) C4'-P energy: -62.244
bonds (distance) P-C4' energy: -61.947
flat angles C4'-P-C4' energy: -52.604
flat angles P-C4'-P energy: -30.756
tors. eta vs tors. theta energy: 6.668
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: 9
=====================================
Write number: 479
Temperature: 1.300000
Total energy: -288.045587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.045587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.045587 (E_RNA)
where:
Base-Base interactions energy: -92.192
where: short stacking energy: -84.114
Base-Backbone interact. energy: -0.883
local terms energy: -194.969905
where:
bonds (distance) C4'-P energy: -62.559
bonds (distance) P-C4' energy: -62.950
flat angles C4'-P-C4' energy: -46.463
flat angles P-C4'-P energy: -18.140
tors. eta vs tors. theta energy: -4.858
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 479
Temperature: 1.350000
Total energy: -269.717708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.717708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.717708 (E_RNA)
where:
Base-Base interactions energy: -99.728
where: short stacking energy: -67.052
Base-Backbone interact. energy: 8.065
local terms energy: -178.054806
where:
bonds (distance) C4'-P energy: -56.638
bonds (distance) P-C4' energy: -60.619
flat angles C4'-P-C4' energy: -48.449
flat angles P-C4'-P energy: -21.531
tors. eta vs tors. theta energy: 9.181
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: 4
=====================================
Write number: 480
Temperature: 0.900000
Total energy: -1116.357268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1116.357268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1116.357268 (E_RNA)
where:
Base-Base interactions energy: -740.057
where: short stacking energy: -323.689
Base-Backbone interact. energy: -0.899
local terms energy: -375.400570
where:
bonds (distance) C4'-P energy: -64.526
bonds (distance) P-C4' energy: -64.602
flat angles C4'-P-C4' energy: -78.633
flat angles P-C4'-P energy: -61.253
tors. eta vs tors. theta energy: -106.387
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: 2, replica: 1
=====================================
Write number: 480
Temperature: 0.950000
Total energy: -1012.637136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1012.637136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1012.637136 (E_RNA)
where:
Base-Base interactions energy: -641.046
where: short stacking energy: -313.230
Base-Backbone interact. energy: 0.161
local terms energy: -371.752087
where:
bonds (distance) C4'-P energy: -71.570
bonds (distance) P-C4' energy: -71.045
flat angles C4'-P-C4' energy: -75.925
flat angles P-C4'-P energy: -56.533
tors. eta vs tors. theta energy: -96.680
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: 6
=====================================
Write number: 480
Temperature: 1.000000
Total energy: -915.748587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -915.748587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -915.748587 (E_RNA)
where:
Base-Base interactions energy: -614.724
where: short stacking energy: -268.024
Base-Backbone interact. energy: 1.106
local terms energy: -302.130650
where:
bonds (distance) C4'-P energy: -46.990
bonds (distance) P-C4' energy: -71.065
flat angles C4'-P-C4' energy: -68.929
flat angles P-C4'-P energy: -41.478
tors. eta vs tors. theta energy: -73.668
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 480
Temperature: 1.050000
Total energy: -947.966035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -947.966035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -947.966035 (E_RNA)
where:
Base-Base interactions energy: -608.148
where: short stacking energy: -273.567
Base-Backbone interact. energy: -1.274
local terms energy: -338.543550
where:
bonds (distance) C4'-P energy: -69.437
bonds (distance) P-C4' energy: -74.025
flat angles C4'-P-C4' energy: -65.545
flat angles P-C4'-P energy: -35.084
tors. eta vs tors. theta energy: -94.453
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: 5
=====================================
Write number: 480
Temperature: 1.100000
Total energy: -610.358840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -610.358840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -610.358840 (E_RNA)
where:
Base-Base interactions energy: -339.405
where: short stacking energy: -171.167
Base-Backbone interact. energy: 0.966
local terms energy: -271.919617
where:
bonds (distance) C4'-P energy: -61.477
bonds (distance) P-C4' energy: -70.556
flat angles C4'-P-C4' energy: -66.358
flat angles P-C4'-P energy: -40.968
tors. eta vs tors. theta energy: -32.562
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 480
Temperature: 1.150000
Total energy: -524.971210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.971210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.971210 (E_RNA)
where:
Base-Base interactions energy: -284.694
where: short stacking energy: -153.851
Base-Backbone interact. energy: -1.849
local terms energy: -238.428421
where:
bonds (distance) C4'-P energy: -65.768
bonds (distance) P-C4' energy: -62.284
flat angles C4'-P-C4' energy: -54.997
flat angles P-C4'-P energy: -33.905
tors. eta vs tors. theta energy: -21.475
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: 2
=====================================
Write number: 480
Temperature: 1.200000
Total energy: -473.266698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -473.266698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -473.266698 (E_RNA)
where:
Base-Base interactions energy: -257.316
where: short stacking energy: -127.101
Base-Backbone interact. energy: -0.832
local terms energy: -215.118708
where:
bonds (distance) C4'-P energy: -43.027
bonds (distance) P-C4' energy: -64.072
flat angles C4'-P-C4' energy: -49.068
flat angles P-C4'-P energy: -37.153
tors. eta vs tors. theta energy: -21.799
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: 8
=====================================
Write number: 480
Temperature: 1.250000
Total energy: -309.140399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.140399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.140399 (E_RNA)
where:
Base-Base interactions energy: -97.526
where: short stacking energy: -75.351
Base-Backbone interact. energy: -1.655
local terms energy: -209.959629
where:
bonds (distance) C4'-P energy: -52.699
bonds (distance) P-C4' energy: -56.866
flat angles C4'-P-C4' energy: -61.456
flat angles P-C4'-P energy: -34.979
tors. eta vs tors. theta energy: -3.960
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 480
Temperature: 1.300000
Total energy: -286.655340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.655340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.655340 (E_RNA)
where:
Base-Base interactions energy: -100.039
where: short stacking energy: -59.330
Base-Backbone interact. energy: -1.482
local terms energy: -185.134965
where:
bonds (distance) C4'-P energy: -46.840
bonds (distance) P-C4' energy: -66.896
flat angles C4'-P-C4' energy: -42.237
flat angles P-C4'-P energy: -32.779
tors. eta vs tors. theta energy: 3.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 480
Temperature: 1.350000
Total energy: -275.068913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.068913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.068913 (E_RNA)
where:
Base-Base interactions energy: -94.925
where: short stacking energy: -68.526
Base-Backbone interact. energy: 2.080
local terms energy: -182.223546
where:
bonds (distance) C4'-P energy: -60.851
bonds (distance) P-C4' energy: -57.516
flat angles C4'-P-C4' energy: -46.305
flat angles P-C4'-P energy: -16.949
tors. eta vs tors. theta energy: -0.603
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 481
Temperature: 0.900000
Total energy: -1087.462680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1087.462680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1087.462680 (E_RNA)
where:
Base-Base interactions energy: -727.629
where: short stacking energy: -326.222
Base-Backbone interact. energy: -0.694
local terms energy: -359.139301
where:
bonds (distance) C4'-P energy: -63.095
bonds (distance) P-C4' energy: -62.171
flat angles C4'-P-C4' energy: -76.774
flat angles P-C4'-P energy: -47.460
tors. eta vs tors. theta energy: -109.639
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: 1
=====================================
Write number: 481
Temperature: 0.950000
Total energy: -969.271282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -969.271282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -969.271282 (E_RNA)
where:
Base-Base interactions energy: -619.629
where: short stacking energy: -290.260
Base-Backbone interact. energy: -0.251
local terms energy: -349.390631
where:
bonds (distance) C4'-P energy: -64.860
bonds (distance) P-C4' energy: -71.862
flat angles C4'-P-C4' energy: -70.693
flat angles P-C4'-P energy: -48.807
tors. eta vs tors. theta energy: -93.168
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 481
Temperature: 1.000000
Total energy: -985.256303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -985.256303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -985.256303 (E_RNA)
where:
Base-Base interactions energy: -655.398
where: short stacking energy: -292.959
Base-Backbone interact. energy: -0.206
local terms energy: -329.652492
where:
bonds (distance) C4'-P energy: -49.013
bonds (distance) P-C4' energy: -69.313
flat angles C4'-P-C4' energy: -72.107
flat angles P-C4'-P energy: -51.880
tors. eta vs tors. theta energy: -87.339
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: 3
=====================================
Write number: 481
Temperature: 1.050000
Total energy: -996.441534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -996.441534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -996.441534 (E_RNA)
where:
Base-Base interactions energy: -641.834
where: short stacking energy: -293.071
Base-Backbone interact. energy: -1.031
local terms energy: -353.576622
where:
bonds (distance) C4'-P energy: -66.552
bonds (distance) P-C4' energy: -69.098
flat angles C4'-P-C4' energy: -68.458
flat angles P-C4'-P energy: -46.654
tors. eta vs tors. theta energy: -102.814
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: 5, replica: 5
=====================================
Write number: 481
Temperature: 1.100000
Total energy: -613.542370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -613.542370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -613.542370 (E_RNA)
where:
Base-Base interactions energy: -349.513
where: short stacking energy: -164.263
Base-Backbone interact. energy: -3.111
local terms energy: -260.917503
where:
bonds (distance) C4'-P energy: -63.406
bonds (distance) P-C4' energy: -66.262
flat angles C4'-P-C4' energy: -66.261
flat angles P-C4'-P energy: -44.169
tors. eta vs tors. theta energy: -20.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 481
Temperature: 1.150000
Total energy: -490.090421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.090421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.090421 (E_RNA)
where:
Base-Base interactions energy: -264.504
where: short stacking energy: -124.392
Base-Backbone interact. energy: -1.816
local terms energy: -223.770790
where:
bonds (distance) C4'-P energy: -58.646
bonds (distance) P-C4' energy: -54.274
flat angles C4'-P-C4' energy: -54.502
flat angles P-C4'-P energy: -33.922
tors. eta vs tors. theta energy: -22.427
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 481
Temperature: 1.200000
Total energy: -429.340489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -429.340489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -429.340489 (E_RNA)
where:
Base-Base interactions energy: -207.061
where: short stacking energy: -130.367
Base-Backbone interact. energy: -0.156
local terms energy: -222.124337
where:
bonds (distance) C4'-P energy: -52.561
bonds (distance) P-C4' energy: -58.521
flat angles C4'-P-C4' energy: -62.132
flat angles P-C4'-P energy: -32.944
tors. eta vs tors. theta energy: -15.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 481
Temperature: 1.250000
Total energy: -297.210512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.210512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.210512 (E_RNA)
where:
Base-Base interactions energy: -118.889
where: short stacking energy: -86.023
Base-Backbone interact. energy: -1.514
local terms energy: -176.807492
where:
bonds (distance) C4'-P energy: -55.290
bonds (distance) P-C4' energy: -59.932
flat angles C4'-P-C4' energy: -35.631
flat angles P-C4'-P energy: -27.478
tors. eta vs tors. theta energy: 1.523
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: 8
=====================================
Write number: 481
Temperature: 1.300000
Total energy: -299.499098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.499098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.499098 (E_RNA)
where:
Base-Base interactions energy: -116.100
where: short stacking energy: -78.028
Base-Backbone interact. energy: -1.176
local terms energy: -182.223587
where:
bonds (distance) C4'-P energy: -55.181
bonds (distance) P-C4' energy: -58.071
flat angles C4'-P-C4' energy: -40.409
flat angles P-C4'-P energy: -36.332
tors. eta vs tors. theta energy: 7.770
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 481
Temperature: 1.350000
Total energy: -277.832873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.832873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.832873 (E_RNA)
where:
Base-Base interactions energy: -75.683
where: short stacking energy: -58.417
Base-Backbone interact. energy: 0.107
local terms energy: -202.256064
where:
bonds (distance) C4'-P energy: -57.475
bonds (distance) P-C4' energy: -66.809
flat angles C4'-P-C4' energy: -56.099
flat angles P-C4'-P energy: -32.972
tors. eta vs tors. theta energy: 11.099
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 482
Temperature: 0.900000
Total energy: -1093.072671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1093.072671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1093.072671 (E_RNA)
where:
Base-Base interactions energy: -734.835
where: short stacking energy: -310.957
Base-Backbone interact. energy: -0.640
local terms energy: -357.597363
where:
bonds (distance) C4'-P energy: -58.809
bonds (distance) P-C4' energy: -69.268
flat angles C4'-P-C4' energy: -74.169
flat angles P-C4'-P energy: -54.578
tors. eta vs tors. theta energy: -100.773
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 482
Temperature: 0.950000
Total energy: -976.119678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -976.119678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -976.119678 (E_RNA)
where:
Base-Base interactions energy: -624.792
where: short stacking energy: -287.191
Base-Backbone interact. energy: -1.568
local terms energy: -349.760061
where:
bonds (distance) C4'-P energy: -73.151
bonds (distance) P-C4' energy: -71.530
flat angles C4'-P-C4' energy: -77.410
flat angles P-C4'-P energy: -50.919
tors. eta vs tors. theta energy: -76.750
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 482
Temperature: 1.000000
Total energy: -958.114995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -958.114995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -958.114995 (E_RNA)
where:
Base-Base interactions energy: -602.310
where: short stacking energy: -260.282
Base-Backbone interact. energy: -0.558
local terms energy: -355.247014
where:
bonds (distance) C4'-P energy: -56.127
bonds (distance) P-C4' energy: -68.377
flat angles C4'-P-C4' energy: -74.011
flat angles P-C4'-P energy: -63.241
tors. eta vs tors. theta energy: -93.491
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: 4, replica: 6
=====================================
Write number: 482
Temperature: 1.050000
Total energy: -947.734069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -947.734069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -947.734069 (E_RNA)
where:
Base-Base interactions energy: -617.394
where: short stacking energy: -285.985
Base-Backbone interact. energy: -0.678
local terms energy: -329.662188
where:
bonds (distance) C4'-P energy: -59.022
bonds (distance) P-C4' energy: -70.453
flat angles C4'-P-C4' energy: -61.731
flat angles P-C4'-P energy: -58.271
tors. eta vs tors. theta energy: -80.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 482
Temperature: 1.100000
Total energy: -590.289115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -590.289115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -590.289115 (E_RNA)
where:
Base-Base interactions energy: -340.524
where: short stacking energy: -166.088
Base-Backbone interact. energy: -1.582
local terms energy: -248.182833
where:
bonds (distance) C4'-P energy: -60.426
bonds (distance) P-C4' energy: -66.014
flat angles C4'-P-C4' energy: -57.774
flat angles P-C4'-P energy: -30.723
tors. eta vs tors. theta energy: -33.245
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: 7
=====================================
Write number: 482
Temperature: 1.150000
Total energy: -512.417978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.417978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.417978 (E_RNA)
where:
Base-Base interactions energy: -283.782
where: short stacking energy: -117.142
Base-Backbone interact. energy: -0.050
local terms energy: -228.586121
where:
bonds (distance) C4'-P energy: -56.603
bonds (distance) P-C4' energy: -59.680
flat angles C4'-P-C4' energy: -60.708
flat angles P-C4'-P energy: -34.170
tors. eta vs tors. theta energy: -17.425
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: 2
=====================================
Write number: 482
Temperature: 1.200000
Total energy: -460.486824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -460.486824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -460.486824 (E_RNA)
where:
Base-Base interactions energy: -238.010
where: short stacking energy: -140.927
Base-Backbone interact. energy: 2.707
local terms energy: -225.183735
where:
bonds (distance) C4'-P energy: -67.604
bonds (distance) P-C4' energy: -58.285
flat angles C4'-P-C4' energy: -46.505
flat angles P-C4'-P energy: -39.724
tors. eta vs tors. theta energy: -13.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 482
Temperature: 1.250000
Total energy: -297.963804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.963804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.963804 (E_RNA)
where:
Base-Base interactions energy: -103.152
where: short stacking energy: -73.170
Base-Backbone interact. energy: -0.809
local terms energy: -194.003491
where:
bonds (distance) C4'-P energy: -63.268
bonds (distance) P-C4' energy: -58.995
flat angles C4'-P-C4' energy: -57.437
flat angles P-C4'-P energy: -25.277
tors. eta vs tors. theta energy: 10.974
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: 9
=====================================
Write number: 482
Temperature: 1.300000
Total energy: -297.553430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.553430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.553430 (E_RNA)
where:
Base-Base interactions energy: -109.331
where: short stacking energy: -101.865
Base-Backbone interact. energy: 5.599
local terms energy: -193.820928
where:
bonds (distance) C4'-P energy: -59.910
bonds (distance) P-C4' energy: -64.476
flat angles C4'-P-C4' energy: -43.864
flat angles P-C4'-P energy: -29.641
tors. eta vs tors. theta energy: 4.070
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 482
Temperature: 1.350000
Total energy: -290.320828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.320828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.320828 (E_RNA)
where:
Base-Base interactions energy: -116.845
where: short stacking energy: -62.254
Base-Backbone interact. energy: -4.162
local terms energy: -169.313518
where:
bonds (distance) C4'-P energy: -57.462
bonds (distance) P-C4' energy: -60.325
flat angles C4'-P-C4' energy: -32.532
flat angles P-C4'-P energy: -42.148
tors. eta vs tors. theta energy: 23.154
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 483
Temperature: 0.900000
Total energy: -1083.641611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1083.641611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1083.641611 (E_RNA)
where:
Base-Base interactions energy: -713.682
where: short stacking energy: -299.523
Base-Backbone interact. energy: -0.774
local terms energy: -369.184992
where:
bonds (distance) C4'-P energy: -67.245
bonds (distance) P-C4' energy: -66.580
flat angles C4'-P-C4' energy: -75.322
flat angles P-C4'-P energy: -59.232
tors. eta vs tors. theta energy: -100.806
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 483
Temperature: 0.950000
Total energy: -975.443226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -975.443226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -975.443226 (E_RNA)
where:
Base-Base interactions energy: -629.093
where: short stacking energy: -289.182
Base-Backbone interact. energy: 0.071
local terms energy: -346.421005
where:
bonds (distance) C4'-P energy: -64.122
bonds (distance) P-C4' energy: -68.260
flat angles C4'-P-C4' energy: -80.381
flat angles P-C4'-P energy: -40.120
tors. eta vs tors. theta energy: -93.538
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: 483
Temperature: 1.000000
Total energy: -961.598210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -961.598210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -961.598210 (E_RNA)
where:
Base-Base interactions energy: -619.121
where: short stacking energy: -273.990
Base-Backbone interact. energy: -2.389
local terms energy: -340.088815
where:
bonds (distance) C4'-P energy: -64.891
bonds (distance) P-C4' energy: -65.999
flat angles C4'-P-C4' energy: -66.395
flat angles P-C4'-P energy: -52.508
tors. eta vs tors. theta energy: -90.295
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: 6
=====================================
Write number: 483
Temperature: 1.050000
Total energy: -898.407801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -898.407801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -898.407801 (E_RNA)
where:
Base-Base interactions energy: -588.459
where: short stacking energy: -249.462
Base-Backbone interact. energy: -0.976
local terms energy: -308.972768
where:
bonds (distance) C4'-P energy: -57.784
bonds (distance) P-C4' energy: -59.888
flat angles C4'-P-C4' energy: -70.511
flat angles P-C4'-P energy: -43.899
tors. eta vs tors. theta energy: -76.890
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 483
Temperature: 1.100000
Total energy: -594.718599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -594.718599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -594.718599 (E_RNA)
where:
Base-Base interactions energy: -343.801
where: short stacking energy: -168.365
Base-Backbone interact. energy: 0.605
local terms energy: -251.522882
where:
bonds (distance) C4'-P energy: -46.750
bonds (distance) P-C4' energy: -65.311
flat angles C4'-P-C4' energy: -66.482
flat angles P-C4'-P energy: -39.815
tors. eta vs tors. theta energy: -33.163
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: 7
=====================================
Write number: 483
Temperature: 1.150000
Total energy: -485.466514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.466514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -485.466514 (E_RNA)
where:
Base-Base interactions energy: -258.138
where: short stacking energy: -135.614
Base-Backbone interact. energy: 3.788
local terms energy: -231.115893
where:
bonds (distance) C4'-P energy: -56.489
bonds (distance) P-C4' energy: -64.442
flat angles C4'-P-C4' energy: -55.497
flat angles P-C4'-P energy: -36.276
tors. eta vs tors. theta energy: -18.412
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 483
Temperature: 1.200000
Total energy: -421.077779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.077779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -421.077779 (E_RNA)
where:
Base-Base interactions energy: -207.934
where: short stacking energy: -130.240
Base-Backbone interact. energy: -1.102
local terms energy: -212.041138
where:
bonds (distance) C4'-P energy: -62.193
bonds (distance) P-C4' energy: -62.666
flat angles C4'-P-C4' energy: -45.364
flat angles P-C4'-P energy: -32.884
tors. eta vs tors. theta energy: -8.934
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: 8, replica: 10
=====================================
Write number: 483
Temperature: 1.250000
Total energy: -318.519746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.519746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.519746 (E_RNA)
where:
Base-Base interactions energy: -128.769
where: short stacking energy: -103.760
Base-Backbone interact. energy: -1.168
local terms energy: -188.582491
where:
bonds (distance) C4'-P energy: -45.742
bonds (distance) P-C4' energy: -65.428
flat angles C4'-P-C4' energy: -51.545
flat angles P-C4'-P energy: -33.661
tors. eta vs tors. theta energy: 7.793
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 483
Temperature: 1.300000
Total energy: -297.660250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.660250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.660250 (E_RNA)
where:
Base-Base interactions energy: -107.071
where: short stacking energy: -79.755
Base-Backbone interact. energy: 1.999
local terms energy: -192.587984
where:
bonds (distance) C4'-P energy: -58.118
bonds (distance) P-C4' energy: -56.888
flat angles C4'-P-C4' energy: -52.194
flat angles P-C4'-P energy: -29.319
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: 10, replica: 8
=====================================
Write number: 483
Temperature: 1.350000
Total energy: -286.453920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.453920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.453920 (E_RNA)
where:
Base-Base interactions energy: -83.819
where: short stacking energy: -58.121
Base-Backbone interact. energy: -1.149
local terms energy: -201.485973
where:
bonds (distance) C4'-P energy: -59.260
bonds (distance) P-C4' energy: -55.563
flat angles C4'-P-C4' energy: -68.336
flat angles P-C4'-P energy: -33.609
tors. eta vs tors. theta energy: 15.282
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: 4
=====================================
Write number: 484
Temperature: 0.900000
Total energy: -1079.434906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1079.434906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1079.434906 (E_RNA)
where:
Base-Base interactions energy: -711.410
where: short stacking energy: -294.295
Base-Backbone interact. energy: -0.054
local terms energy: -367.970845
where:
bonds (distance) C4'-P energy: -70.506
bonds (distance) P-C4' energy: -67.510
flat angles C4'-P-C4' energy: -71.456
flat angles P-C4'-P energy: -47.787
tors. eta vs tors. theta energy: -110.713
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: 2, replica: 3
=====================================
Write number: 484
Temperature: 0.950000
Total energy: -1003.549864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1003.549864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1003.549864 (E_RNA)
where:
Base-Base interactions energy: -644.564
where: short stacking energy: -318.812
Base-Backbone interact. energy: -3.000
local terms energy: -355.986062
where:
bonds (distance) C4'-P energy: -66.929
bonds (distance) P-C4' energy: -70.783
flat angles C4'-P-C4' energy: -70.862
flat angles P-C4'-P energy: -47.920
tors. eta vs tors. theta energy: -99.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 484
Temperature: 1.000000
Total energy: -980.811469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -980.811469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -980.811469 (E_RNA)
where:
Base-Base interactions energy: -650.310
where: short stacking energy: -287.447
Base-Backbone interact. energy: 0.045
local terms energy: -330.547204
where:
bonds (distance) C4'-P energy: -51.004
bonds (distance) P-C4' energy: -70.960
flat angles C4'-P-C4' energy: -57.114
flat angles P-C4'-P energy: -46.573
tors. eta vs tors. theta energy: -104.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 484
Temperature: 1.050000
Total energy: -919.329571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -919.329571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -919.329571 (E_RNA)
where:
Base-Base interactions energy: -613.708
where: short stacking energy: -265.980
Base-Backbone interact. energy: 1.408
local terms energy: -307.029433
where:
bonds (distance) C4'-P energy: -59.192
bonds (distance) P-C4' energy: -64.657
flat angles C4'-P-C4' energy: -64.122
flat angles P-C4'-P energy: -34.891
tors. eta vs tors. theta energy: -84.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 484
Temperature: 1.100000
Total energy: -645.948141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -645.948141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -645.948141 (E_RNA)
where:
Base-Base interactions energy: -380.988
where: short stacking energy: -202.537
Base-Backbone interact. energy: -2.138
local terms energy: -262.822513
where:
bonds (distance) C4'-P energy: -58.359
bonds (distance) P-C4' energy: -53.661
flat angles C4'-P-C4' energy: -66.228
flat angles P-C4'-P energy: -41.965
tors. eta vs tors. theta energy: -42.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 484
Temperature: 1.150000
Total energy: -454.753795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -454.753795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -454.753795 (E_RNA)
where:
Base-Base interactions energy: -228.172
where: short stacking energy: -124.561
Base-Backbone interact. energy: 3.065
local terms energy: -229.646282
where:
bonds (distance) C4'-P energy: -61.141
bonds (distance) P-C4' energy: -68.660
flat angles C4'-P-C4' energy: -53.333
flat angles P-C4'-P energy: -33.214
tors. eta vs tors. theta energy: -13.298
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: 7, replica: 2
=====================================
Write number: 484
Temperature: 1.200000
Total energy: -441.095352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -441.095352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -441.095352 (E_RNA)
where:
Base-Base interactions energy: -224.218
where: short stacking energy: -130.216
Base-Backbone interact. energy: -1.419
local terms energy: -215.458700
where:
bonds (distance) C4'-P energy: -67.505
bonds (distance) P-C4' energy: -52.786
flat angles C4'-P-C4' energy: -56.832
flat angles P-C4'-P energy: -34.141
tors. eta vs tors. theta energy: -4.194
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 484
Temperature: 1.250000
Total energy: -303.577637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.577637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.577637 (E_RNA)
where:
Base-Base interactions energy: -116.975
where: short stacking energy: -84.763
Base-Backbone interact. energy: 1.330
local terms energy: -187.932933
where:
bonds (distance) C4'-P energy: -53.414
bonds (distance) P-C4' energy: -51.913
flat angles C4'-P-C4' energy: -55.748
flat angles P-C4'-P energy: -36.508
tors. eta vs tors. theta energy: 9.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 484
Temperature: 1.300000
Total energy: -302.576769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.576769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.576769 (E_RNA)
where:
Base-Base interactions energy: -106.290
where: short stacking energy: -93.230
Base-Backbone interact. energy: 0.780
local terms energy: -197.066713
where:
bonds (distance) C4'-P energy: -60.566
bonds (distance) P-C4' energy: -51.350
flat angles C4'-P-C4' energy: -52.510
flat angles P-C4'-P energy: -34.519
tors. eta vs tors. theta energy: 1.879
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: 9
=====================================
Write number: 484
Temperature: 1.350000
Total energy: -286.612587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.612587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.612587 (E_RNA)
where:
Base-Base interactions energy: -95.759
where: short stacking energy: -68.961
Base-Backbone interact. energy: -0.862
local terms energy: -189.991758
where:
bonds (distance) C4'-P energy: -58.762
bonds (distance) P-C4' energy: -60.206
flat angles C4'-P-C4' energy: -59.554
flat angles P-C4'-P energy: -26.802
tors. eta vs tors. theta energy: 15.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 485
Temperature: 0.900000
Total energy: -1042.119674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1042.119674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1042.119674 (E_RNA)
where:
Base-Base interactions energy: -673.958
where: short stacking energy: -293.662
Base-Backbone interact. energy: -0.468
local terms energy: -367.693670
where:
bonds (distance) C4'-P energy: -69.754
bonds (distance) P-C4' energy: -64.412
flat angles C4'-P-C4' energy: -76.526
flat angles P-C4'-P energy: -56.516
tors. eta vs tors. theta energy: -100.485
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: 1
=====================================
Write number: 485
Temperature: 0.950000
Total energy: -994.918115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -994.918115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -994.918115 (E_RNA)
where:
Base-Base interactions energy: -654.382
where: short stacking energy: -285.143
Base-Backbone interact. energy: 1.838
local terms energy: -342.373908
where:
bonds (distance) C4'-P energy: -58.268
bonds (distance) P-C4' energy: -69.996
flat angles C4'-P-C4' energy: -71.785
flat angles P-C4'-P energy: -50.684
tors. eta vs tors. theta energy: -91.640
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: 485
Temperature: 1.000000
Total energy: -968.195503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -968.195503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -968.195503 (E_RNA)
where:
Base-Base interactions energy: -629.066
where: short stacking energy: -290.319
Base-Backbone interact. energy: -1.677
local terms energy: -337.453250
where:
bonds (distance) C4'-P energy: -71.997
bonds (distance) P-C4' energy: -67.771
flat angles C4'-P-C4' energy: -75.070
flat angles P-C4'-P energy: -39.222
tors. eta vs tors. theta energy: -83.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 485
Temperature: 1.050000
Total energy: -851.084143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -851.084143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -851.084143 (E_RNA)
where:
Base-Base interactions energy: -517.841
where: short stacking energy: -244.853
Base-Backbone interact. energy: 1.777
local terms energy: -335.020225
where:
bonds (distance) C4'-P energy: -67.439
bonds (distance) P-C4' energy: -72.055
flat angles C4'-P-C4' energy: -69.351
flat angles P-C4'-P energy: -49.602
tors. eta vs tors. theta energy: -76.573
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 485
Temperature: 1.100000
Total energy: -639.942395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -639.942395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -639.942395 (E_RNA)
where:
Base-Base interactions energy: -354.341
where: short stacking energy: -185.815
Base-Backbone interact. energy: -1.655
local terms energy: -283.945908
where:
bonds (distance) C4'-P energy: -58.815
bonds (distance) P-C4' energy: -64.991
flat angles C4'-P-C4' energy: -70.547
flat angles P-C4'-P energy: -43.450
tors. eta vs tors. theta energy: -46.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 485
Temperature: 1.150000
Total energy: -451.060654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -451.060654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -451.060654 (E_RNA)
where:
Base-Base interactions energy: -206.151
where: short stacking energy: -121.475
Base-Backbone interact. energy: -2.530
local terms energy: -242.378879
where:
bonds (distance) C4'-P energy: -57.928
bonds (distance) P-C4' energy: -68.467
flat angles C4'-P-C4' energy: -50.608
flat angles P-C4'-P energy: -46.897
tors. eta vs tors. theta energy: -18.479
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: 2
=====================================
Write number: 485
Temperature: 1.200000
Total energy: -429.583797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -429.583797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -429.583797 (E_RNA)
where:
Base-Base interactions energy: -201.167
where: short stacking energy: -130.183
Base-Backbone interact. energy: -0.231
local terms energy: -228.186340
where:
bonds (distance) C4'-P energy: -59.180
bonds (distance) P-C4' energy: -65.606
flat angles C4'-P-C4' energy: -61.499
flat angles P-C4'-P energy: -32.748
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: 8, replica: 10
=====================================
Write number: 485
Temperature: 1.250000
Total energy: -324.044547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.044547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.044547 (E_RNA)
where:
Base-Base interactions energy: -132.691
where: short stacking energy: -103.630
Base-Backbone interact. energy: -1.331
local terms energy: -190.022722
where:
bonds (distance) C4'-P energy: -48.091
bonds (distance) P-C4' energy: -57.677
flat angles C4'-P-C4' energy: -51.062
flat angles P-C4'-P energy: -35.831
tors. eta vs tors. theta energy: 2.638
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: 9, replica: 8
=====================================
Write number: 485
Temperature: 1.300000
Total energy: -292.545014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.545014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.545014 (E_RNA)
where:
Base-Base interactions energy: -105.668
where: short stacking energy: -89.988
Base-Backbone interact. energy: 0.571
local terms energy: -187.448690
where:
bonds (distance) C4'-P energy: -48.588
bonds (distance) P-C4' energy: -56.502
flat angles C4'-P-C4' energy: -51.695
flat angles P-C4'-P energy: -34.140
tors. eta vs tors. theta energy: 3.476
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 485
Temperature: 1.350000
Total energy: -273.145432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.145432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.145432 (E_RNA)
where:
Base-Base interactions energy: -96.128
where: short stacking energy: -75.030
Base-Backbone interact. energy: -1.085
local terms energy: -175.932224
where:
bonds (distance) C4'-P energy: -57.225
bonds (distance) P-C4' energy: -53.118
flat angles C4'-P-C4' energy: -49.285
flat angles P-C4'-P energy: -19.511
tors. eta vs tors. theta energy: 3.207
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
out arg RESULTS//1/RNA-905ff99f_01
DONE
DONE