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/ABO-148ins-89879ae8/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/ABO-148ins-89879ae8/inputs/seq.fa: 1
curr_seq: _AAGACACAGACACAAAAUCACAUACACAUCCUCCCCGCCACAGAGACACACCAUUACAUACACAGACACACACACACACACAAUCACACACACACCCCCCGCCACAGAGACACACCGUUACAUACACAGACAUACACACACACACAGA_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: AAGACACAGACACAAAAUCACAUACACAUCCUCCCCGCCACAGAGACACACCAUUACAUACACAGACACACACACACACACAAUCACACACACACCCCCCGCCACAGAGACACACCGUUACAUACACAGACAUACACACACACACAGA
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 148 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: 745
n_atoms_counter: 745
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 148.000000 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/ABO-148ins-89879ae8/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/ABO-148ins-89879ae8/inputs/seq.fa: 1
curr_seq: _AAGACACAGACACAAAAUCACAUACACAUCCUCCCCGCCACAGAGACACACCAUUACAUACACAGACACACACACACACACAAUCACACACACACCCCCCGCCACAGAGACACACCGUUACAUACACAGACAUACACACACACACAGA_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: AAGACACAGACACAAAAUCACAUACACAUCCUCCCCGCCACAGAGACACACCAUUACAUACACAGACACACACACACACACAAUCACACACACACCCCCCGCCACAGAGACACACCGUUACAUACACAGACAUACACACACACACAGA
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 148 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: 745
n_atoms_counter: 745
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 148.000000 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/ABO-148ins-89879ae8/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/ABO-148ins-89879ae8/inputs/seq.fa: 1
curr_seq: _AAGACACAGACACAAAAUCACAUACACAUCCUCCCCGCCACAGAGACACACCAUUACAUACACAGACACACACACACACACAAUCACACACACACCCCCCGCCACAGAGACACACCGUUACAUACACAGACAUACACACACACACAGA_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: AAGACACAGACACAAAAUCACAUACACAUCCUCCCCGCCACAGAGACACACCAUUACAUACACAGACACACACACACACACAAUCACACACACACCCCCCGCCACAGAGACACACCGUUACAUACACAGACAUACACACACACACAGA
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 148 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: 745
n_atoms_counter: 745
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 148.000000 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/ABO-148ins-89879ae8/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/ABO-148ins-89879ae8/inputs/seq.fa: 1
curr_seq: _AAGACACAGACACAAAAUCACAUACACAUCCUCCCCGCCACAGAGACACACCAUUACAUACACAGACACACACACACACACAAUCACACACACACCCCCCGCCACAGAGACACACCGUUACAUACACAGACAUACACACACACACAGA_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: AAGACACAGACACAAAAUCACAUACACAUCCUCCCCGCCACAGAGACACACCAUUACAUACACAGACACACACACACACACAAUCACACACACACCCCCCGCCACAGAGACACACCGUUACAUACACAGACAUACACACACACACAGA
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 148 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: 745
n_atoms_counter: 745
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 148.000000 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/ABO-148ins-89879ae8/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/ABO-148ins-89879ae8/inputs/seq.fa: 1
curr_seq: _AAGACACAGACACAAAAUCACAUACACAUCCUCCCCGCCACAGAGACACACCAUUACAUACACAGACACACACACACACACAAUCACACACACACCCCCCGCCACAGAGACACACCGUUACAUACACAGACAUACACACACACACAGA_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: AAGACACAGACACAAAAUCACAUACACAUCCUCCCCGCCACAGAGACACACCAUUACAUACACAGACACACACACACACACAAUCACACACACACCCCCCGCCACAGAGACACACCGUUACAUACACAGACAUACACACACACACAGA
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 148 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: 745
n_atoms_counter: 745
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 148.000000 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/ABO-148ins-89879ae8/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/ABO-148ins-89879ae8/inputs/seq.fa: 1
curr_seq: _AAGACACAGACACAAAAUCACAUACACAUCCUCCCCGCCACAGAGACACACCAUUACAUACACAGACACACACACACACACAAUCACACACACACCCCCCGCCACAGAGACACACCGUUACAUACACAGACAUACACACACACACAGA_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: AAGACACAGACACAAAAUCACAUACACAUCCUCCCCGCCACAGAGACACACCAUUACAUACACAGACACACACACACACACAAUCACACACACACCCCCCGCCACAGAGACACACCGUUACAUACACAGACAUACACACACACACAGA
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 148 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: 745
n_atoms_counter: 745
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 148.000000 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/ABO-148ins-89879ae8/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/ABO-148ins-89879ae8/inputs/seq.fa: 1
curr_seq: _AAGACACAGACACAAAAUCACAUACACAUCCUCCCCGCCACAGAGACACACCAUUACAUACACAGACACACACACACACACAAUCACACACACACCCCCCGCCACAGAGACACACCGUUACAUACACAGACAUACACACACACACAGA_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: AAGACACAGACACAAAAUCACAUACACAUCCUCCCCGCCACAGAGACACACCAUUACAUACACAGACACACACACACACACAAUCACACACACACCCCCCGCCACAGAGACACACCGUUACAUACACAGACAUACACACACACACAGA
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 148 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: 745
n_atoms_counter: 745
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 148.000000 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/ABO-148ins-89879ae8/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/ABO-148ins-89879ae8/inputs/seq.fa: 1
curr_seq: _AAGACACAGACACAAAAUCACAUACACAUCCUCCCCGCCACAGAGACACACCAUUACAUACACAGACACACACACACACACAAUCACACACACACCCCCCGCCACAGAGACACACCGUUACAUACACAGACAUACACACACACACAGA_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: AAGACACAGACACAAAAUCACAUACACAUCCUCCCCGCCACAGAGACACACCAUUACAUACACAGACACACACACACACACAAUCACACACACACCCCCCGCCACAGAGACACACCGUUACAUACACAGACAUACACACACACACAGA
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 148 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: 745
n_atoms_counter: 745
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 148.000000 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/ABO-148ins-89879ae8/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/ABO-148ins-89879ae8/inputs/seq.fa: 1
curr_seq: _AAGACACAGACACAAAAUCACAUACACAUCCUCCCCGCCACAGAGACACACCAUUACAUACACAGACACACACACACACACAAUCACACACACACCCCCCGCCACAGAGACACACCGUUACAUACACAGACAUACACACACACACAGA_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: AAGACACAGACACAAAAUCACAUACACAUCCUCCCCGCCACAGAGACACACCAUUACAUACACAGACACACACACACACACAAUCACACACACACCCCCCGCCACAGAGACACACCGUUACAUACACAGACAUACACACACACACAGA
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 148 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: 745
n_atoms_counter: 745
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 148.000000 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/ABO-148ins-89879ae8/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/ABO-148ins-89879ae8/inputs/seq.fa: 1
curr_seq: _AAGACACAGACACAAAAUCACAUACACAUCCUCCCCGCCACAGAGACACACCAUUACAUACACAGACACACACACACACACAAUCACACACACACCCCCCGCCACAGAGACACACCGUUACAUACACAGACAUACACACACACACAGA_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: AAGACACAGACACAAAAUCACAUACACAUCCUCCCCGCCACAGAGACACACCAUUACAUACACAGACACACACACACACACAAUCACACACACACCCCCCGCCACAGAGACACACCGUUACAUACACAGACAUACACACACACACAGA
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 148 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: 745
n_atoms_counter: 745
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 148.000000 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: -585.507443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -585.507443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -585.507443 (E_RNA)
where:
Base-Base interactions energy: -9.340
where: short stacking energy: -9.340
Base-Backbone interact. energy: -0.000
local terms energy: -576.167091
where:
bonds (distance) C4'-P energy: -143.794
bonds (distance) P-C4' energy: -133.303
flat angles C4'-P-C4' energy: -108.665
flat angles P-C4'-P energy: -124.301
tors. eta vs tors. theta energy: -66.104
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: 2
=====================================
Write number: 1
Temperature: 0.950000
Total energy: -585.507443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -585.507443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -585.507443 (E_RNA)
where:
Base-Base interactions energy: -9.340
where: short stacking energy: -9.340
Base-Backbone interact. energy: -0.000
local terms energy: -576.167091
where:
bonds (distance) C4'-P energy: -143.794
bonds (distance) P-C4' energy: -133.303
flat angles C4'-P-C4' energy: -108.665
flat angles P-C4'-P energy: -124.301
tors. eta vs tors. theta energy: -66.104
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 1
Temperature: 1.000000
Total energy: -585.507443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -585.507443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -585.507443 (E_RNA)
where:
Base-Base interactions energy: -9.340
where: short stacking energy: -9.340
Base-Backbone interact. energy: -0.000
local terms energy: -576.167091
where:
bonds (distance) C4'-P energy: -143.794
bonds (distance) P-C4' energy: -133.303
flat angles C4'-P-C4' energy: -108.665
flat angles P-C4'-P energy: -124.301
tors. eta vs tors. theta energy: -66.104
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 1
Temperature: 1.050000
Total energy: -585.507443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -585.507443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -585.507443 (E_RNA)
where:
Base-Base interactions energy: -9.340
where: short stacking energy: -9.340
Base-Backbone interact. energy: -0.000
local terms energy: -576.167091
where:
bonds (distance) C4'-P energy: -143.794
bonds (distance) P-C4' energy: -133.303
flat angles C4'-P-C4' energy: -108.665
flat angles P-C4'-P energy: -124.301
tors. eta vs tors. theta energy: -66.104
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: 5, replica: 5
=====================================
Write number: 1
Temperature: 1.100000
Total energy: -585.507443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -585.507443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -585.507443 (E_RNA)
where:
Base-Base interactions energy: -9.340
where: short stacking energy: -9.340
Base-Backbone interact. energy: -0.000
local terms energy: -576.167091
where:
bonds (distance) C4'-P energy: -143.794
bonds (distance) P-C4' energy: -133.303
flat angles C4'-P-C4' energy: -108.665
flat angles P-C4'-P energy: -124.301
tors. eta vs tors. theta energy: -66.104
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 1
Temperature: 1.150000
Total energy: -585.507443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -585.507443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -585.507443 (E_RNA)
where:
Base-Base interactions energy: -9.340
where: short stacking energy: -9.340
Base-Backbone interact. energy: -0.000
local terms energy: -576.167091
where:
bonds (distance) C4'-P energy: -143.794
bonds (distance) P-C4' energy: -133.303
flat angles C4'-P-C4' energy: -108.665
flat angles P-C4'-P energy: -124.301
tors. eta vs tors. theta energy: -66.104
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 1
Temperature: 1.200000
Total energy: -585.507443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -585.507443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -585.507443 (E_RNA)
where:
Base-Base interactions energy: -9.340
where: short stacking energy: -9.340
Base-Backbone interact. energy: -0.000
local terms energy: -576.167091
where:
bonds (distance) C4'-P energy: -143.794
bonds (distance) P-C4' energy: -133.303
flat angles C4'-P-C4' energy: -108.665
flat angles P-C4'-P energy: -124.301
tors. eta vs tors. theta energy: -66.104
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 1
Temperature: 1.250000
Total energy: -585.507443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -585.507443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -585.507443 (E_RNA)
where:
Base-Base interactions energy: -9.340
where: short stacking energy: -9.340
Base-Backbone interact. energy: -0.000
local terms energy: -576.167091
where:
bonds (distance) C4'-P energy: -143.794
bonds (distance) P-C4' energy: -133.303
flat angles C4'-P-C4' energy: -108.665
flat angles P-C4'-P energy: -124.301
tors. eta vs tors. theta energy: -66.104
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: 9, replica: 9
=====================================
Write number: 1
Temperature: 1.300000
Total energy: -585.507443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -585.507443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -585.507443 (E_RNA)
where:
Base-Base interactions energy: -9.340
where: short stacking energy: -9.340
Base-Backbone interact. energy: -0.000
local terms energy: -576.167091
where:
bonds (distance) C4'-P energy: -143.794
bonds (distance) P-C4' energy: -133.303
flat angles C4'-P-C4' energy: -108.665
flat angles P-C4'-P energy: -124.301
tors. eta vs tors. theta energy: -66.104
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 1
Temperature: 1.350000
Total energy: -585.507443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -585.507443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -585.507443 (E_RNA)
where:
Base-Base interactions energy: -9.340
where: short stacking energy: -9.340
Base-Backbone interact. energy: -0.000
local terms energy: -576.167091
where:
bonds (distance) C4'-P energy: -143.794
bonds (distance) P-C4' energy: -133.303
flat angles C4'-P-C4' energy: -108.665
flat angles P-C4'-P energy: -124.301
tors. eta vs tors. theta energy: -66.104
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 2
Temperature: 0.900000
Total energy: -754.620699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -754.620699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -754.620699 (E_RNA)
where:
Base-Base interactions energy: -334.586
where: short stacking energy: -318.720
Base-Backbone interact. energy: 1.718
local terms energy: -421.751798
where:
bonds (distance) C4'-P energy: -97.810
bonds (distance) P-C4' energy: -93.913
flat angles C4'-P-C4' energy: -87.433
flat angles P-C4'-P energy: -62.866
tors. eta vs tors. theta energy: -79.729
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: 2
=====================================
Write number: 2
Temperature: 0.950000
Total energy: -718.363870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -718.363870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -718.363870 (E_RNA)
where:
Base-Base interactions energy: -297.153
where: short stacking energy: -296.681
Base-Backbone interact. energy: -0.318
local terms energy: -420.893066
where:
bonds (distance) C4'-P energy: -95.254
bonds (distance) P-C4' energy: -89.014
flat angles C4'-P-C4' energy: -93.089
flat angles P-C4'-P energy: -60.251
tors. eta vs tors. theta energy: -83.286
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 2
Temperature: 1.000000
Total energy: -639.186228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -639.186228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -639.186228 (E_RNA)
where:
Base-Base interactions energy: -255.965
where: short stacking energy: -251.856
Base-Backbone interact. energy: -0.075
local terms energy: -383.147007
where:
bonds (distance) C4'-P energy: -83.693
bonds (distance) P-C4' energy: -91.102
flat angles C4'-P-C4' energy: -87.810
flat angles P-C4'-P energy: -67.399
tors. eta vs tors. theta energy: -53.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 2
Temperature: 1.050000
Total energy: -613.300290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -613.300290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -613.300290 (E_RNA)
where:
Base-Base interactions energy: -243.139
where: short stacking energy: -240.082
Base-Backbone interact. energy: 0.760
local terms energy: -370.921401
where:
bonds (distance) C4'-P energy: -85.921
bonds (distance) P-C4' energy: -87.147
flat angles C4'-P-C4' energy: -90.139
flat angles P-C4'-P energy: -46.377
tors. eta vs tors. theta energy: -61.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 2
Temperature: 1.100000
Total energy: -589.357558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -589.357558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -589.357558 (E_RNA)
where:
Base-Base interactions energy: -15.375
where: short stacking energy: -15.375
Base-Backbone interact. energy: -0.000
local terms energy: -573.982866
where:
bonds (distance) C4'-P energy: -143.446
bonds (distance) P-C4' energy: -132.373
flat angles C4'-P-C4' energy: -107.699
flat angles P-C4'-P energy: -123.935
tors. eta vs tors. theta energy: -66.530
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 2
Temperature: 1.150000
Total energy: -587.590691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -587.590691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -587.590691 (E_RNA)
where:
Base-Base interactions energy: -15.715
where: short stacking energy: -15.715
Base-Backbone interact. energy: -0.000
local terms energy: -571.875616
where:
bonds (distance) C4'-P energy: -143.115
bonds (distance) P-C4' energy: -131.059
flat angles C4'-P-C4' energy: -107.503
flat angles P-C4'-P energy: -123.471
tors. eta vs tors. theta energy: -66.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 2
Temperature: 1.200000
Total energy: -587.568458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -587.568458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -587.568458 (E_RNA)
where:
Base-Base interactions energy: -15.715
where: short stacking energy: -15.715
Base-Backbone interact. energy: -0.000
local terms energy: -571.853503
where:
bonds (distance) C4'-P energy: -143.115
bonds (distance) P-C4' energy: -131.059
flat angles C4'-P-C4' energy: -107.503
flat angles P-C4'-P energy: -123.508
tors. eta vs tors. theta energy: -66.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 2
Temperature: 1.250000
Total energy: -586.818092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -586.818092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -586.818092 (E_RNA)
where:
Base-Base interactions energy: -14.964
where: short stacking energy: -14.964
Base-Backbone interact. energy: -0.000
local terms energy: -571.853503
where:
bonds (distance) C4'-P energy: -143.115
bonds (distance) P-C4' energy: -131.059
flat angles C4'-P-C4' energy: -107.503
flat angles P-C4'-P energy: -123.508
tors. eta vs tors. theta energy: -66.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 2
Temperature: 1.300000
Total energy: -587.061748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -587.061748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -587.061748 (E_RNA)
where:
Base-Base interactions energy: -15.493
where: short stacking energy: -15.493
Base-Backbone interact. energy: -0.000
local terms energy: -571.568373
where:
bonds (distance) C4'-P energy: -143.115
bonds (distance) P-C4' energy: -131.059
flat angles C4'-P-C4' energy: -107.503
flat angles P-C4'-P energy: -123.508
tors. eta vs tors. theta energy: -66.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 2
Temperature: 1.350000
Total energy: -582.571815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -582.571815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -582.571815 (E_RNA)
where:
Base-Base interactions energy: -10.503
where: short stacking energy: -10.503
Base-Backbone interact. energy: -0.000
local terms energy: -572.068450
where:
bonds (distance) C4'-P energy: -142.940
bonds (distance) P-C4' energy: -130.561
flat angles C4'-P-C4' energy: -108.368
flat angles P-C4'-P energy: -123.990
tors. eta vs tors. theta energy: -66.209
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: 3
Temperature: 0.900000
Total energy: -742.265813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -742.265813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -742.265813 (E_RNA)
where:
Base-Base interactions energy: -320.930
where: short stacking energy: -318.037
Base-Backbone interact. energy: 0.902
local terms energy: -422.237680
where:
bonds (distance) C4'-P energy: -98.084
bonds (distance) P-C4' energy: -87.290
flat angles C4'-P-C4' energy: -87.579
flat angles P-C4'-P energy: -64.695
tors. eta vs tors. theta energy: -84.590
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 3
Temperature: 0.950000
Total energy: -690.415363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -690.415363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -690.415363 (E_RNA)
where:
Base-Base interactions energy: -298.781
where: short stacking energy: -274.080
Base-Backbone interact. energy: -0.092
local terms energy: -391.542368
where:
bonds (distance) C4'-P energy: -89.765
bonds (distance) P-C4' energy: -99.708
flat angles C4'-P-C4' energy: -90.980
flat angles P-C4'-P energy: -61.448
tors. eta vs tors. theta energy: -49.641
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 3
Temperature: 1.000000
Total energy: -719.241913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -719.241913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -719.241913 (E_RNA)
where:
Base-Base interactions energy: -337.129
where: short stacking energy: -303.956
Base-Backbone interact. energy: 0.886
local terms energy: -382.998758
where:
bonds (distance) C4'-P energy: -76.460
bonds (distance) P-C4' energy: -87.400
flat angles C4'-P-C4' energy: -89.520
flat angles P-C4'-P energy: -49.147
tors. eta vs tors. theta energy: -80.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 3
Temperature: 1.050000
Total energy: -590.316407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -590.316407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -590.316407 (E_RNA)
where:
Base-Base interactions energy: -253.686
where: short stacking energy: -212.732
Base-Backbone interact. energy: -0.576
local terms energy: -336.053553
where:
bonds (distance) C4'-P energy: -84.647
bonds (distance) P-C4' energy: -92.255
flat angles C4'-P-C4' energy: -83.275
flat angles P-C4'-P energy: -37.061
tors. eta vs tors. theta energy: -38.816
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: 5
=====================================
Write number: 3
Temperature: 1.100000
Total energy: -543.923246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.923246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.923246 (E_RNA)
where:
Base-Base interactions energy: -214.490
where: short stacking energy: -209.409
Base-Backbone interact. energy: -0.661
local terms energy: -328.772664
where:
bonds (distance) C4'-P energy: -87.080
bonds (distance) P-C4' energy: -85.362
flat angles C4'-P-C4' energy: -68.886
flat angles P-C4'-P energy: -46.827
tors. eta vs tors. theta energy: -40.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 3
Temperature: 1.150000
Total energy: -516.542506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.542506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.542506 (E_RNA)
where:
Base-Base interactions energy: -195.905
where: short stacking energy: -191.307
Base-Backbone interact. energy: 0.018
local terms energy: -320.656209
where:
bonds (distance) C4'-P energy: -86.384
bonds (distance) P-C4' energy: -94.613
flat angles C4'-P-C4' energy: -76.197
flat angles P-C4'-P energy: -43.261
tors. eta vs tors. theta energy: -20.202
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 3
Temperature: 1.200000
Total energy: -485.641165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.641165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -485.641165 (E_RNA)
where:
Base-Base interactions energy: -186.903
where: short stacking energy: -175.218
Base-Backbone interact. energy: 0.380
local terms energy: -299.118970
where:
bonds (distance) C4'-P energy: -73.457
bonds (distance) P-C4' energy: -85.201
flat angles C4'-P-C4' energy: -72.176
flat angles P-C4'-P energy: -48.377
tors. eta vs tors. theta energy: -19.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 3
Temperature: 1.250000
Total energy: -430.176676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -430.176676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -430.176676 (E_RNA)
where:
Base-Base interactions energy: -162.246
where: short stacking energy: -147.419
Base-Backbone interact. energy: 0.358
local terms energy: -268.289115
where:
bonds (distance) C4'-P energy: -71.598
bonds (distance) P-C4' energy: -77.537
flat angles C4'-P-C4' energy: -71.865
flat angles P-C4'-P energy: -39.046
tors. eta vs tors. theta energy: -8.244
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 3
Temperature: 1.300000
Total energy: -388.216469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -388.216469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -388.216469 (E_RNA)
where:
Base-Base interactions energy: -143.944
where: short stacking energy: -116.310
Base-Backbone interact. energy: -3.406
local terms energy: -240.866939
where:
bonds (distance) C4'-P energy: -77.909
bonds (distance) P-C4' energy: -75.073
flat angles C4'-P-C4' energy: -55.367
flat angles P-C4'-P energy: -45.421
tors. eta vs tors. theta energy: 12.903
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 3
Temperature: 1.350000
Total energy: -377.402927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -377.402927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -377.402927 (E_RNA)
where:
Base-Base interactions energy: -112.306
where: short stacking energy: -109.893
Base-Backbone interact. energy: 1.460
local terms energy: -266.556964
where:
bonds (distance) C4'-P energy: -63.301
bonds (distance) P-C4' energy: -88.147
flat angles C4'-P-C4' energy: -82.088
flat angles P-C4'-P energy: -35.509
tors. eta vs tors. theta energy: 2.488
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: 1, replica: 1
=====================================
Write number: 4
Temperature: 0.900000
Total energy: -803.664097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -803.664097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -803.664097 (E_RNA)
where:
Base-Base interactions energy: -378.503
where: short stacking energy: -331.177
Base-Backbone interact. energy: -0.661
local terms energy: -424.499578
where:
bonds (distance) C4'-P energy: -93.867
bonds (distance) P-C4' energy: -89.536
flat angles C4'-P-C4' energy: -102.411
flat angles P-C4'-P energy: -56.890
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: 2
=====================================
Write number: 4
Temperature: 0.950000
Total energy: -786.402571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -786.402571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -786.402571 (E_RNA)
where:
Base-Base interactions energy: -374.414
where: short stacking energy: -297.846
Base-Backbone interact. energy: -1.878
local terms energy: -410.109988
where:
bonds (distance) C4'-P energy: -100.400
bonds (distance) P-C4' energy: -95.149
flat angles C4'-P-C4' energy: -88.510
flat angles P-C4'-P energy: -56.633
tors. eta vs tors. theta energy: -69.419
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 4
Temperature: 1.000000
Total energy: -695.377649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -695.377649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -695.377649 (E_RNA)
where:
Base-Base interactions energy: -301.933
where: short stacking energy: -273.469
Base-Backbone interact. energy: -1.080
local terms energy: -392.364708
where:
bonds (distance) C4'-P energy: -81.813
bonds (distance) P-C4' energy: -92.145
flat angles C4'-P-C4' energy: -86.271
flat angles P-C4'-P energy: -58.779
tors. eta vs tors. theta energy: -73.356
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: 4, replica: 4
=====================================
Write number: 4
Temperature: 1.050000
Total energy: -643.305596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -643.305596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -643.305596 (E_RNA)
where:
Base-Base interactions energy: -293.217
where: short stacking energy: -215.316
Base-Backbone interact. energy: -1.465
local terms energy: -348.623567
where:
bonds (distance) C4'-P energy: -89.995
bonds (distance) P-C4' energy: -90.902
flat angles C4'-P-C4' energy: -78.101
flat angles P-C4'-P energy: -45.186
tors. eta vs tors. theta energy: -44.439
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 4
Temperature: 1.100000
Total energy: -552.931681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.931681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.931681 (E_RNA)
where:
Base-Base interactions energy: -201.593
where: short stacking energy: -184.888
Base-Backbone interact. energy: -0.652
local terms energy: -350.687332
where:
bonds (distance) C4'-P energy: -75.225
bonds (distance) P-C4' energy: -96.638
flat angles C4'-P-C4' energy: -79.995
flat angles P-C4'-P energy: -61.091
tors. eta vs tors. theta energy: -37.739
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: 4
Temperature: 1.150000
Total energy: -493.302438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -493.302438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.302438 (E_RNA)
where:
Base-Base interactions energy: -184.391
where: short stacking energy: -179.481
Base-Backbone interact. energy: 0.974
local terms energy: -309.885013
where:
bonds (distance) C4'-P energy: -92.274
bonds (distance) P-C4' energy: -68.549
flat angles C4'-P-C4' energy: -86.651
flat angles P-C4'-P energy: -40.550
tors. eta vs tors. theta energy: -21.861
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 4
Temperature: 1.200000
Total energy: -443.402295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -443.402295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -443.402295 (E_RNA)
where:
Base-Base interactions energy: -147.516
where: short stacking energy: -127.139
Base-Backbone interact. energy: -1.077
local terms energy: -294.809101
where:
bonds (distance) C4'-P energy: -77.197
bonds (distance) P-C4' energy: -96.471
flat angles C4'-P-C4' energy: -83.198
flat angles P-C4'-P energy: -42.123
tors. eta vs tors. theta energy: 4.181
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: 4
Temperature: 1.250000
Total energy: -420.213698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.213698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -420.213698 (E_RNA)
where:
Base-Base interactions energy: -138.362
where: short stacking energy: -125.847
Base-Backbone interact. energy: -0.711
local terms energy: -281.140910
where:
bonds (distance) C4'-P energy: -78.206
bonds (distance) P-C4' energy: -81.617
flat angles C4'-P-C4' energy: -64.333
flat angles P-C4'-P energy: -43.474
tors. eta vs tors. theta energy: -13.511
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 4
Temperature: 1.300000
Total energy: -380.309448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -380.309448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -380.309448 (E_RNA)
where:
Base-Base interactions energy: -113.573
where: short stacking energy: -108.687
Base-Backbone interact. energy: -0.373
local terms energy: -266.363562
where:
bonds (distance) C4'-P energy: -81.598
bonds (distance) P-C4' energy: -79.053
flat angles C4'-P-C4' energy: -67.870
flat angles P-C4'-P energy: -45.182
tors. eta vs tors. theta energy: 7.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 4
Temperature: 1.350000
Total energy: -338.660420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.660420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.660420 (E_RNA)
where:
Base-Base interactions energy: -102.122
where: short stacking energy: -88.850
Base-Backbone interact. energy: -1.890
local terms energy: -234.648162
where:
bonds (distance) C4'-P energy: -70.288
bonds (distance) P-C4' energy: -82.871
flat angles C4'-P-C4' energy: -57.104
flat angles P-C4'-P energy: -44.667
tors. eta vs tors. theta energy: 20.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 5
Temperature: 0.900000
Total energy: -820.183778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -820.183778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -820.183778 (E_RNA)
where:
Base-Base interactions energy: -374.012
where: short stacking energy: -339.756
Base-Backbone interact. energy: -1.112
local terms energy: -445.059729
where:
bonds (distance) C4'-P energy: -92.744
bonds (distance) P-C4' energy: -95.956
flat angles C4'-P-C4' energy: -94.346
flat angles P-C4'-P energy: -64.443
tors. eta vs tors. theta energy: -97.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 5
Temperature: 0.950000
Total energy: -794.637202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -794.637202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -794.637202 (E_RNA)
where:
Base-Base interactions energy: -370.157
where: short stacking energy: -305.868
Base-Backbone interact. energy: -1.394
local terms energy: -423.085931
where:
bonds (distance) C4'-P energy: -77.893
bonds (distance) P-C4' energy: -95.413
flat angles C4'-P-C4' energy: -98.040
flat angles P-C4'-P energy: -64.160
tors. eta vs tors. theta energy: -87.580
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: 5
Temperature: 1.000000
Total energy: -676.115734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -676.115734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -676.115734 (E_RNA)
where:
Base-Base interactions energy: -308.097
where: short stacking energy: -257.784
Base-Backbone interact. energy: -0.025
local terms energy: -367.994262
where:
bonds (distance) C4'-P energy: -88.728
bonds (distance) P-C4' energy: -85.817
flat angles C4'-P-C4' energy: -81.584
flat angles P-C4'-P energy: -68.995
tors. eta vs tors. theta energy: -42.870
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: 4, replica: 4
=====================================
Write number: 5
Temperature: 1.050000
Total energy: -675.381699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -675.381699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -675.381699 (E_RNA)
where:
Base-Base interactions energy: -294.896
where: short stacking energy: -249.384
Base-Backbone interact. energy: -0.072
local terms energy: -380.413734
where:
bonds (distance) C4'-P energy: -90.013
bonds (distance) P-C4' energy: -87.712
flat angles C4'-P-C4' energy: -98.880
flat angles P-C4'-P energy: -49.164
tors. eta vs tors. theta energy: -54.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 5
Temperature: 1.100000
Total energy: -565.132858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -565.132858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -565.132858 (E_RNA)
where:
Base-Base interactions energy: -233.186
where: short stacking energy: -169.891
Base-Backbone interact. energy: 0.335
local terms energy: -332.281274
where:
bonds (distance) C4'-P energy: -87.365
bonds (distance) P-C4' energy: -94.804
flat angles C4'-P-C4' energy: -91.785
flat angles P-C4'-P energy: -42.125
tors. eta vs tors. theta energy: -16.202
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 5
Temperature: 1.150000
Total energy: -504.897553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.897553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.897553 (E_RNA)
where:
Base-Base interactions energy: -186.253
where: short stacking energy: -169.295
Base-Backbone interact. energy: 1.476
local terms energy: -320.119871
where:
bonds (distance) C4'-P energy: -78.752
bonds (distance) P-C4' energy: -90.098
flat angles C4'-P-C4' energy: -72.688
flat angles P-C4'-P energy: -63.870
tors. eta vs tors. theta energy: -14.711
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: 7, replica: 6
=====================================
Write number: 5
Temperature: 1.200000
Total energy: -477.400796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -477.400796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -477.400796 (E_RNA)
where:
Base-Base interactions energy: -176.318
where: short stacking energy: -140.578
Base-Backbone interact. energy: -0.662
local terms energy: -300.420425
where:
bonds (distance) C4'-P energy: -77.304
bonds (distance) P-C4' energy: -72.590
flat angles C4'-P-C4' energy: -74.839
flat angles P-C4'-P energy: -61.313
tors. eta vs tors. theta energy: -14.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 5
Temperature: 1.250000
Total energy: -438.620941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -438.620941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -438.620941 (E_RNA)
where:
Base-Base interactions energy: -172.692
where: short stacking energy: -140.112
Base-Backbone interact. energy: 5.347
local terms energy: -271.276553
where:
bonds (distance) C4'-P energy: -72.893
bonds (distance) P-C4' energy: -70.260
flat angles C4'-P-C4' energy: -71.097
flat angles P-C4'-P energy: -53.152
tors. eta vs tors. theta energy: -3.874
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: 10
=====================================
Write number: 5
Temperature: 1.300000
Total energy: -392.066834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.066834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -392.066834 (E_RNA)
where:
Base-Base interactions energy: -142.029
where: short stacking energy: -127.204
Base-Backbone interact. energy: -1.338
local terms energy: -248.699696
where:
bonds (distance) C4'-P energy: -69.250
bonds (distance) P-C4' energy: -81.369
flat angles C4'-P-C4' energy: -57.649
flat angles P-C4'-P energy: -32.384
tors. eta vs tors. theta energy: -8.048
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 5
Temperature: 1.350000
Total energy: -350.682123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.682123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.682123 (E_RNA)
where:
Base-Base interactions energy: -105.604
where: short stacking energy: -89.500
Base-Backbone interact. energy: -1.670
local terms energy: -243.408393
where:
bonds (distance) C4'-P energy: -94.091
bonds (distance) P-C4' energy: -80.384
flat angles C4'-P-C4' energy: -56.078
flat angles P-C4'-P energy: -25.281
tors. eta vs tors. theta energy: 12.425
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: 2
=====================================
Write number: 6
Temperature: 0.900000
Total energy: -904.613884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -904.613884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -904.613884 (E_RNA)
where:
Base-Base interactions energy: -467.202
where: short stacking energy: -331.744
Base-Backbone interact. energy: 0.043
local terms energy: -437.455072
where:
bonds (distance) C4'-P energy: -94.193
bonds (distance) P-C4' energy: -90.749
flat angles C4'-P-C4' energy: -96.000
flat angles P-C4'-P energy: -68.703
tors. eta vs tors. theta energy: -87.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 6
Temperature: 0.950000
Total energy: -749.184037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -749.184037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -749.184037 (E_RNA)
where:
Base-Base interactions energy: -339.924
where: short stacking energy: -298.971
Base-Backbone interact. energy: -0.649
local terms energy: -408.610883
where:
bonds (distance) C4'-P energy: -89.680
bonds (distance) P-C4' energy: -92.840
flat angles C4'-P-C4' energy: -91.827
flat angles P-C4'-P energy: -64.835
tors. eta vs tors. theta energy: -69.429
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: 4
=====================================
Write number: 6
Temperature: 1.000000
Total energy: -664.995486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -664.995486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -664.995486 (E_RNA)
where:
Base-Base interactions energy: -302.240
where: short stacking energy: -262.436
Base-Backbone interact. energy: 2.948
local terms energy: -365.703504
where:
bonds (distance) C4'-P energy: -85.427
bonds (distance) P-C4' energy: -94.289
flat angles C4'-P-C4' energy: -75.697
flat angles P-C4'-P energy: -62.947
tors. eta vs tors. theta energy: -47.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 6
Temperature: 1.050000
Total energy: -634.357059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -634.357059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -634.357059 (E_RNA)
where:
Base-Base interactions energy: -265.433
where: short stacking energy: -212.322
Base-Backbone interact. energy: -0.854
local terms energy: -368.070445
where:
bonds (distance) C4'-P energy: -88.248
bonds (distance) P-C4' energy: -93.680
flat angles C4'-P-C4' energy: -87.376
flat angles P-C4'-P energy: -54.297
tors. eta vs tors. theta energy: -44.470
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 6
Temperature: 1.100000
Total energy: -559.247662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -559.247662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -559.247662 (E_RNA)
where:
Base-Base interactions energy: -224.725
where: short stacking energy: -175.561
Base-Backbone interact. energy: -3.505
local terms energy: -331.018596
where:
bonds (distance) C4'-P energy: -83.262
bonds (distance) P-C4' energy: -94.937
flat angles C4'-P-C4' energy: -88.752
flat angles P-C4'-P energy: -45.018
tors. eta vs tors. theta energy: -19.050
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 6
Temperature: 1.150000
Total energy: -473.069763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -473.069763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -473.069763 (E_RNA)
where:
Base-Base interactions energy: -193.592
where: short stacking energy: -155.813
Base-Backbone interact. energy: -2.819
local terms energy: -276.658114
where:
bonds (distance) C4'-P energy: -69.655
bonds (distance) P-C4' energy: -86.630
flat angles C4'-P-C4' energy: -64.324
flat angles P-C4'-P energy: -40.568
tors. eta vs tors. theta energy: -15.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 6
Temperature: 1.200000
Total energy: -447.287343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -447.287343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -447.287343 (E_RNA)
where:
Base-Base interactions energy: -165.934
where: short stacking energy: -138.432
Base-Backbone interact. energy: -1.629
local terms energy: -279.724760
where:
bonds (distance) C4'-P energy: -85.062
bonds (distance) P-C4' energy: -83.805
flat angles C4'-P-C4' energy: -74.875
flat angles P-C4'-P energy: -39.849
tors. eta vs tors. theta energy: 3.866
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 6
Temperature: 1.250000
Total energy: -416.979797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.979797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.979797 (E_RNA)
where:
Base-Base interactions energy: -168.293
where: short stacking energy: -153.541
Base-Backbone interact. energy: -0.834
local terms energy: -247.852459
where:
bonds (distance) C4'-P energy: -84.374
bonds (distance) P-C4' energy: -78.394
flat angles C4'-P-C4' energy: -55.546
flat angles P-C4'-P energy: -31.596
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: 9, replica: 8
=====================================
Write number: 6
Temperature: 1.300000
Total energy: -365.902301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.902301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.902301 (E_RNA)
where:
Base-Base interactions energy: -128.830
where: short stacking energy: -109.586
Base-Backbone interact. energy: 4.435
local terms energy: -241.506766
where:
bonds (distance) C4'-P energy: -66.614
bonds (distance) P-C4' energy: -72.370
flat angles C4'-P-C4' energy: -64.944
flat angles P-C4'-P energy: -41.294
tors. eta vs tors. theta energy: 3.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 6
Temperature: 1.350000
Total energy: -345.220187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.220187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.220187 (E_RNA)
where:
Base-Base interactions energy: -90.514
where: short stacking energy: -86.763
Base-Backbone interact. energy: 0.432
local terms energy: -255.138256
where:
bonds (distance) C4'-P energy: -71.036
bonds (distance) P-C4' energy: -77.216
flat angles C4'-P-C4' energy: -66.297
flat angles P-C4'-P energy: -47.561
tors. eta vs tors. theta energy: 6.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 7
Temperature: 0.900000
Total energy: -910.099216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -910.099216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -910.099216 (E_RNA)
where:
Base-Base interactions energy: -447.856
where: short stacking energy: -322.625
Base-Backbone interact. energy: -1.010
local terms energy: -461.233564
where:
bonds (distance) C4'-P energy: -95.173
bonds (distance) P-C4' energy: -102.645
flat angles C4'-P-C4' energy: -95.922
flat angles P-C4'-P energy: -68.718
tors. eta vs tors. theta energy: -98.775
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: 7
Temperature: 0.950000
Total energy: -763.491126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -763.491126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -763.491126 (E_RNA)
where:
Base-Base interactions energy: -351.237
where: short stacking energy: -317.006
Base-Backbone interact. energy: 3.626
local terms energy: -415.880199
where:
bonds (distance) C4'-P energy: -96.348
bonds (distance) P-C4' energy: -92.844
flat angles C4'-P-C4' energy: -89.252
flat angles P-C4'-P energy: -56.593
tors. eta vs tors. theta energy: -80.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 7
Temperature: 1.000000
Total energy: -702.402442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -702.402442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -702.402442 (E_RNA)
where:
Base-Base interactions energy: -312.004
where: short stacking energy: -257.581
Base-Backbone interact. energy: -0.404
local terms energy: -389.994192
where:
bonds (distance) C4'-P energy: -93.109
bonds (distance) P-C4' energy: -91.189
flat angles C4'-P-C4' energy: -87.217
flat angles P-C4'-P energy: -52.404
tors. eta vs tors. theta energy: -66.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 7
Temperature: 1.050000
Total energy: -717.628274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -717.628274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -717.628274 (E_RNA)
where:
Base-Base interactions energy: -340.037
where: short stacking energy: -266.990
Base-Backbone interact. energy: -1.049
local terms energy: -376.542764
where:
bonds (distance) C4'-P energy: -83.866
bonds (distance) P-C4' energy: -87.164
flat angles C4'-P-C4' energy: -85.343
flat angles P-C4'-P energy: -51.018
tors. eta vs tors. theta energy: -69.153
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 7
Temperature: 1.100000
Total energy: -578.473568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -578.473568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -578.473568 (E_RNA)
where:
Base-Base interactions energy: -246.438
where: short stacking energy: -201.285
Base-Backbone interact. energy: -0.824
local terms energy: -331.212245
where:
bonds (distance) C4'-P energy: -95.627
bonds (distance) P-C4' energy: -83.100
flat angles C4'-P-C4' energy: -70.891
flat angles P-C4'-P energy: -54.450
tors. eta vs tors. theta energy: -27.145
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: 6, replica: 5
=====================================
Write number: 7
Temperature: 1.150000
Total energy: -538.472083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.472083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.472083 (E_RNA)
where:
Base-Base interactions energy: -237.290
where: short stacking energy: -219.294
Base-Backbone interact. energy: -2.193
local terms energy: -298.988355
where:
bonds (distance) C4'-P energy: -76.610
bonds (distance) P-C4' energy: -77.489
flat angles C4'-P-C4' energy: -78.506
flat angles P-C4'-P energy: -40.507
tors. eta vs tors. theta energy: -25.876
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 7
Temperature: 1.200000
Total energy: -465.123745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -465.123745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -465.123745 (E_RNA)
where:
Base-Base interactions energy: -170.383
where: short stacking energy: -165.672
Base-Backbone interact. energy: 2.047
local terms energy: -296.787902
where:
bonds (distance) C4'-P energy: -76.690
bonds (distance) P-C4' energy: -87.459
flat angles C4'-P-C4' energy: -67.701
flat angles P-C4'-P energy: -44.585
tors. eta vs tors. theta energy: -20.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 7
Temperature: 1.250000
Total energy: -410.922585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.922585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -410.922585 (E_RNA)
where:
Base-Base interactions energy: -132.432
where: short stacking energy: -111.935
Base-Backbone interact. energy: -2.029
local terms energy: -276.462389
where:
bonds (distance) C4'-P energy: -80.084
bonds (distance) P-C4' energy: -82.554
flat angles C4'-P-C4' energy: -72.384
flat angles P-C4'-P energy: -51.305
tors. eta vs tors. theta energy: 9.865
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: 7
Temperature: 1.300000
Total energy: -392.550188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.550188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -392.550188 (E_RNA)
where:
Base-Base interactions energy: -128.983
where: short stacking energy: -94.631
Base-Backbone interact. energy: 0.797
local terms energy: -264.363669
where:
bonds (distance) C4'-P energy: -78.554
bonds (distance) P-C4' energy: -81.823
flat angles C4'-P-C4' energy: -64.872
flat angles P-C4'-P energy: -40.505
tors. eta vs tors. theta energy: 1.390
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 7
Temperature: 1.350000
Total energy: -360.317093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.317093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.317093 (E_RNA)
where:
Base-Base interactions energy: -104.232
where: short stacking energy: -90.814
Base-Backbone interact. energy: 3.674
local terms energy: -259.758782
where:
bonds (distance) C4'-P energy: -75.714
bonds (distance) P-C4' energy: -88.262
flat angles C4'-P-C4' energy: -72.499
flat angles P-C4'-P energy: -41.699
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: 2
=====================================
Write number: 8
Temperature: 0.900000
Total energy: -925.070111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -925.070111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -925.070111 (E_RNA)
where:
Base-Base interactions energy: -470.834
where: short stacking energy: -350.620
Base-Backbone interact. energy: 1.097
local terms energy: -455.333389
where:
bonds (distance) C4'-P energy: -94.405
bonds (distance) P-C4' energy: -98.520
flat angles C4'-P-C4' energy: -104.483
flat angles P-C4'-P energy: -59.670
tors. eta vs tors. theta energy: -98.256
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 8
Temperature: 0.950000
Total energy: -689.912305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -689.912305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -689.912305 (E_RNA)
where:
Base-Base interactions energy: -293.766
where: short stacking energy: -257.126
Base-Backbone interact. energy: -1.065
local terms energy: -395.081478
where:
bonds (distance) C4'-P energy: -90.147
bonds (distance) P-C4' energy: -87.303
flat angles C4'-P-C4' energy: -100.380
flat angles P-C4'-P energy: -61.266
tors. eta vs tors. theta energy: -55.985
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: 4
=====================================
Write number: 8
Temperature: 1.000000
Total energy: -716.712918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -716.712918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -716.712918 (E_RNA)
where:
Base-Base interactions energy: -343.320
where: short stacking energy: -294.528
Base-Backbone interact. energy: -0.860
local terms energy: -372.532154
where:
bonds (distance) C4'-P energy: -77.101
bonds (distance) P-C4' energy: -83.075
flat angles C4'-P-C4' energy: -87.649
flat angles P-C4'-P energy: -53.775
tors. eta vs tors. theta energy: -70.932
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: 4, replica: 3
=====================================
Write number: 8
Temperature: 1.050000
Total energy: -677.655548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -677.655548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -677.655548 (E_RNA)
where:
Base-Base interactions energy: -288.692
where: short stacking energy: -221.160
Base-Backbone interact. energy: -1.527
local terms energy: -387.436289
where:
bonds (distance) C4'-P energy: -91.033
bonds (distance) P-C4' energy: -98.226
flat angles C4'-P-C4' energy: -76.917
flat angles P-C4'-P energy: -59.012
tors. eta vs tors. theta energy: -62.248
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: 5
=====================================
Write number: 8
Temperature: 1.100000
Total energy: -570.007657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -570.007657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -570.007657 (E_RNA)
where:
Base-Base interactions energy: -239.442
where: short stacking energy: -185.458
Base-Backbone interact. energy: -1.775
local terms energy: -328.790510
where:
bonds (distance) C4'-P energy: -77.155
bonds (distance) P-C4' energy: -87.417
flat angles C4'-P-C4' energy: -77.651
flat angles P-C4'-P energy: -55.027
tors. eta vs tors. theta energy: -31.541
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 8
Temperature: 1.150000
Total energy: -535.701191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.701191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.701191 (E_RNA)
where:
Base-Base interactions energy: -220.683
where: short stacking energy: -169.427
Base-Backbone interact. energy: 0.284
local terms energy: -315.301580
where:
bonds (distance) C4'-P energy: -83.379
bonds (distance) P-C4' energy: -98.445
flat angles C4'-P-C4' energy: -70.920
flat angles P-C4'-P energy: -42.647
tors. eta vs tors. theta energy: -19.911
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 8
Temperature: 1.200000
Total energy: -492.008318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.008318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.008318 (E_RNA)
where:
Base-Base interactions energy: -193.185
where: short stacking energy: -161.088
Base-Backbone interact. energy: 2.746
local terms energy: -301.569675
where:
bonds (distance) C4'-P energy: -66.833
bonds (distance) P-C4' energy: -91.136
flat angles C4'-P-C4' energy: -82.106
flat angles P-C4'-P energy: -48.199
tors. eta vs tors. theta energy: -13.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 8
Temperature: 1.250000
Total energy: -415.034232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -415.034232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -415.034232 (E_RNA)
where:
Base-Base interactions energy: -149.085
where: short stacking energy: -134.622
Base-Backbone interact. energy: 0.014
local terms energy: -265.963245
where:
bonds (distance) C4'-P energy: -70.902
bonds (distance) P-C4' energy: -78.708
flat angles C4'-P-C4' energy: -67.683
flat angles P-C4'-P energy: -48.545
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: 9, replica: 10
=====================================
Write number: 8
Temperature: 1.300000
Total energy: -371.761784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.761784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.761784 (E_RNA)
where:
Base-Base interactions energy: -128.129
where: short stacking energy: -109.791
Base-Backbone interact. energy: 0.692
local terms energy: -244.325015
where:
bonds (distance) C4'-P energy: -69.157
bonds (distance) P-C4' energy: -75.337
flat angles C4'-P-C4' energy: -56.319
flat angles P-C4'-P energy: -43.948
tors. eta vs tors. theta energy: 0.436
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: 10, replica: 8
=====================================
Write number: 8
Temperature: 1.350000
Total energy: -357.836379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.836379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.836379 (E_RNA)
where:
Base-Base interactions energy: -106.929
where: short stacking energy: -86.426
Base-Backbone interact. energy: -0.454
local terms energy: -250.453903
where:
bonds (distance) C4'-P energy: -73.264
bonds (distance) P-C4' energy: -78.944
flat angles C4'-P-C4' energy: -59.143
flat angles P-C4'-P energy: -44.874
tors. eta vs tors. theta energy: 5.770
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 9
Temperature: 0.900000
Total energy: -976.096190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -976.096190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -976.096190 (E_RNA)
where:
Base-Base interactions energy: -524.809
where: short stacking energy: -370.529
Base-Backbone interact. energy: 1.104
local terms energy: -452.390526
where:
bonds (distance) C4'-P energy: -95.959
bonds (distance) P-C4' energy: -92.928
flat angles C4'-P-C4' energy: -99.080
flat angles P-C4'-P energy: -65.915
tors. eta vs tors. theta energy: -98.508
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: 2, replica: 4
=====================================
Write number: 9
Temperature: 0.950000
Total energy: -800.285486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -800.285486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -800.285486 (E_RNA)
where:
Base-Base interactions energy: -396.798
where: short stacking energy: -286.736
Base-Backbone interact. energy: -1.607
local terms energy: -401.880183
where:
bonds (distance) C4'-P energy: -95.151
bonds (distance) P-C4' energy: -86.208
flat angles C4'-P-C4' energy: -96.166
flat angles P-C4'-P energy: -61.373
tors. eta vs tors. theta energy: -62.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 9
Temperature: 1.000000
Total energy: -714.950276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -714.950276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -714.950276 (E_RNA)
where:
Base-Base interactions energy: -317.388
where: short stacking energy: -269.493
Base-Backbone interact. energy: -0.562
local terms energy: -397.000469
where:
bonds (distance) C4'-P energy: -89.618
bonds (distance) P-C4' energy: -97.209
flat angles C4'-P-C4' energy: -91.186
flat angles P-C4'-P energy: -54.016
tors. eta vs tors. theta energy: -64.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 9
Temperature: 1.050000
Total energy: -655.589989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -655.589989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -655.589989 (E_RNA)
where:
Base-Base interactions energy: -285.808
where: short stacking energy: -223.047
Base-Backbone interact. energy: -1.028
local terms energy: -368.753720
where:
bonds (distance) C4'-P energy: -84.804
bonds (distance) P-C4' energy: -79.628
flat angles C4'-P-C4' energy: -90.788
flat angles P-C4'-P energy: -63.067
tors. eta vs tors. theta energy: -50.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 9
Temperature: 1.100000
Total energy: -578.613586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -578.613586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -578.613586 (E_RNA)
where:
Base-Base interactions energy: -248.044
where: short stacking energy: -204.786
Base-Backbone interact. energy: 2.367
local terms energy: -332.936978
where:
bonds (distance) C4'-P energy: -88.560
bonds (distance) P-C4' energy: -90.251
flat angles C4'-P-C4' energy: -63.778
flat angles P-C4'-P energy: -48.682
tors. eta vs tors. theta energy: -41.666
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 9
Temperature: 1.150000
Total energy: -502.498002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.498002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.498002 (E_RNA)
where:
Base-Base interactions energy: -187.534
where: short stacking energy: -167.593
Base-Backbone interact. energy: -1.295
local terms energy: -313.668805
where:
bonds (distance) C4'-P energy: -90.728
bonds (distance) P-C4' energy: -86.534
flat angles C4'-P-C4' energy: -70.232
flat angles P-C4'-P energy: -55.227
tors. eta vs tors. theta energy: -10.948
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: 6
=====================================
Write number: 9
Temperature: 1.200000
Total energy: -462.115682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.115682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -462.115682 (E_RNA)
where:
Base-Base interactions energy: -150.872
where: short stacking energy: -145.841
Base-Backbone interact. energy: -1.491
local terms energy: -309.752650
where:
bonds (distance) C4'-P energy: -62.921
bonds (distance) P-C4' energy: -89.279
flat angles C4'-P-C4' energy: -84.924
flat angles P-C4'-P energy: -41.207
tors. eta vs tors. theta energy: -31.422
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: 9
Temperature: 1.250000
Total energy: -437.048305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -437.048305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -437.048305 (E_RNA)
where:
Base-Base interactions energy: -154.209
where: short stacking energy: -119.084
Base-Backbone interact. energy: 0.822
local terms energy: -283.661808
where:
bonds (distance) C4'-P energy: -72.851
bonds (distance) P-C4' energy: -87.640
flat angles C4'-P-C4' energy: -71.638
flat angles P-C4'-P energy: -33.881
tors. eta vs tors. theta energy: -17.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 9
Temperature: 1.300000
Total energy: -376.006064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -376.006064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -376.006064 (E_RNA)
where:
Base-Base interactions energy: -123.875
where: short stacking energy: -118.249
Base-Backbone interact. energy: 0.422
local terms energy: -252.552647
where:
bonds (distance) C4'-P energy: -75.778
bonds (distance) P-C4' energy: -86.257
flat angles C4'-P-C4' energy: -66.020
flat angles P-C4'-P energy: -33.447
tors. eta vs tors. theta energy: 8.949
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 9
Temperature: 1.350000
Total energy: -363.814141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.814141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.814141 (E_RNA)
where:
Base-Base interactions energy: -107.184
where: short stacking energy: -99.227
Base-Backbone interact. energy: -0.336
local terms energy: -256.294488
where:
bonds (distance) C4'-P energy: -91.360
bonds (distance) P-C4' energy: -65.856
flat angles C4'-P-C4' energy: -71.176
flat angles P-C4'-P energy: -28.119
tors. eta vs tors. theta energy: 0.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 10
Temperature: 0.900000
Total energy: -967.399941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -967.399941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -967.399941 (E_RNA)
where:
Base-Base interactions energy: -513.054
where: short stacking energy: -332.952
Base-Backbone interact. energy: -1.256
local terms energy: -453.089150
where:
bonds (distance) C4'-P energy: -99.889
bonds (distance) P-C4' energy: -98.785
flat angles C4'-P-C4' energy: -104.176
flat angles P-C4'-P energy: -57.988
tors. eta vs tors. theta energy: -92.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 10
Temperature: 0.950000
Total energy: -903.540396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -903.540396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -903.540396 (E_RNA)
where:
Base-Base interactions energy: -492.515
where: short stacking energy: -313.242
Base-Backbone interact. energy: 0.822
local terms energy: -411.847201
where:
bonds (distance) C4'-P energy: -91.730
bonds (distance) P-C4' energy: -91.098
flat angles C4'-P-C4' energy: -90.037
flat angles P-C4'-P energy: -62.707
tors. eta vs tors. theta energy: -76.275
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: 1
=====================================
Write number: 10
Temperature: 1.000000
Total energy: -712.546439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -712.546439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -712.546439 (E_RNA)
where:
Base-Base interactions energy: -339.489
where: short stacking energy: -258.246
Base-Backbone interact. energy: -1.388
local terms energy: -371.668646
where:
bonds (distance) C4'-P energy: -90.348
bonds (distance) P-C4' energy: -76.888
flat angles C4'-P-C4' energy: -84.663
flat angles P-C4'-P energy: -62.627
tors. eta vs tors. theta energy: -57.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 10
Temperature: 1.050000
Total energy: -689.987711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -689.987711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -689.987711 (E_RNA)
where:
Base-Base interactions energy: -326.688
where: short stacking energy: -238.157
Base-Backbone interact. energy: 1.368
local terms energy: -364.667134
where:
bonds (distance) C4'-P energy: -90.030
bonds (distance) P-C4' energy: -98.421
flat angles C4'-P-C4' energy: -74.262
flat angles P-C4'-P energy: -49.295
tors. eta vs tors. theta energy: -52.659
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: 3
=====================================
Write number: 10
Temperature: 1.100000
Total energy: -675.049558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -675.049558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -675.049558 (E_RNA)
where:
Base-Base interactions energy: -324.963
where: short stacking energy: -217.040
Base-Backbone interact. energy: 1.332
local terms energy: -351.418542
where:
bonds (distance) C4'-P energy: -85.667
bonds (distance) P-C4' energy: -80.234
flat angles C4'-P-C4' energy: -87.655
flat angles P-C4'-P energy: -55.395
tors. eta vs tors. theta energy: -42.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 10
Temperature: 1.150000
Total energy: -501.929962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.929962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.929962 (E_RNA)
where:
Base-Base interactions energy: -198.071
where: short stacking energy: -178.594
Base-Backbone interact. energy: -0.177
local terms energy: -303.682226
where:
bonds (distance) C4'-P energy: -68.326
bonds (distance) P-C4' energy: -91.969
flat angles C4'-P-C4' energy: -69.846
flat angles P-C4'-P energy: -57.704
tors. eta vs tors. theta energy: -15.837
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 10
Temperature: 1.200000
Total energy: -442.251866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -442.251866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -442.251866 (E_RNA)
where:
Base-Base interactions energy: -153.168
where: short stacking energy: -129.489
Base-Backbone interact. energy: 1.392
local terms energy: -290.475852
where:
bonds (distance) C4'-P energy: -81.036
bonds (distance) P-C4' energy: -83.266
flat angles C4'-P-C4' energy: -73.845
flat angles P-C4'-P energy: -52.042
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: 9
=====================================
Write number: 10
Temperature: 1.250000
Total energy: -422.856993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -422.856993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -422.856993 (E_RNA)
where:
Base-Base interactions energy: -163.637
where: short stacking energy: -154.680
Base-Backbone interact. energy: -1.894
local terms energy: -257.325974
where:
bonds (distance) C4'-P energy: -67.185
bonds (distance) P-C4' energy: -81.135
flat angles C4'-P-C4' energy: -69.155
flat angles P-C4'-P energy: -29.629
tors. eta vs tors. theta energy: -10.221
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 10
Temperature: 1.300000
Total energy: -377.252326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -377.252326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -377.252326 (E_RNA)
where:
Base-Base interactions energy: -148.367
where: short stacking energy: -137.595
Base-Backbone interact. energy: 1.492
local terms energy: -230.378024
where:
bonds (distance) C4'-P energy: -74.623
bonds (distance) P-C4' energy: -81.882
flat angles C4'-P-C4' energy: -58.632
flat angles P-C4'-P energy: -23.113
tors. eta vs tors. theta energy: 7.872
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: 10
=====================================
Write number: 10
Temperature: 1.350000
Total energy: -346.348172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.348172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.348172 (E_RNA)
where:
Base-Base interactions energy: -102.018
where: short stacking energy: -99.765
Base-Backbone interact. energy: 2.357
local terms energy: -246.687711
where:
bonds (distance) C4'-P energy: -69.038
bonds (distance) P-C4' energy: -87.920
flat angles C4'-P-C4' energy: -59.895
flat angles P-C4'-P energy: -31.030
tors. eta vs tors. theta energy: 1.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 11
Temperature: 0.900000
Total energy: -938.211816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -938.211816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -938.211816 (E_RNA)
where:
Base-Base interactions energy: -482.598
where: short stacking energy: -342.130
Base-Backbone interact. energy: 0.632
local terms energy: -456.245372
where:
bonds (distance) C4'-P energy: -98.235
bonds (distance) P-C4' energy: -99.191
flat angles C4'-P-C4' energy: -109.163
flat angles P-C4'-P energy: -58.214
tors. eta vs tors. theta energy: -91.443
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 11
Temperature: 0.950000
Total energy: -875.916929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -875.916929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -875.916929 (E_RNA)
where:
Base-Base interactions energy: -462.216
where: short stacking energy: -329.412
Base-Backbone interact. energy: -1.446
local terms energy: -412.254532
where:
bonds (distance) C4'-P energy: -89.611
bonds (distance) P-C4' energy: -93.822
flat angles C4'-P-C4' energy: -88.353
flat angles P-C4'-P energy: -58.529
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: 3, replica: 1
=====================================
Write number: 11
Temperature: 1.000000
Total energy: -693.677086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -693.677086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -693.677086 (E_RNA)
where:
Base-Base interactions energy: -306.756
where: short stacking energy: -255.006
Base-Backbone interact. energy: 0.960
local terms energy: -387.880133
where:
bonds (distance) C4'-P energy: -83.267
bonds (distance) P-C4' energy: -95.166
flat angles C4'-P-C4' energy: -88.396
flat angles P-C4'-P energy: -68.297
tors. eta vs tors. theta energy: -52.754
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 11
Temperature: 1.050000
Total energy: -743.581924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -743.581924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -743.581924 (E_RNA)
where:
Base-Base interactions energy: -368.993
where: short stacking energy: -277.419
Base-Backbone interact. energy: -0.092
local terms energy: -374.496921
where:
bonds (distance) C4'-P energy: -73.716
bonds (distance) P-C4' energy: -82.860
flat angles C4'-P-C4' energy: -93.571
flat angles P-C4'-P energy: -57.387
tors. eta vs tors. theta energy: -66.962
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: 5
=====================================
Write number: 11
Temperature: 1.100000
Total energy: -653.918257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -653.918257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -653.918257 (E_RNA)
where:
Base-Base interactions energy: -340.215
where: short stacking energy: -229.531
Base-Backbone interact. energy: -1.211
local terms energy: -312.492304
where:
bonds (distance) C4'-P energy: -81.904
bonds (distance) P-C4' energy: -64.843
flat angles C4'-P-C4' energy: -75.292
flat angles P-C4'-P energy: -47.477
tors. eta vs tors. theta energy: -42.976
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 11
Temperature: 1.150000
Total energy: -472.635214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -472.635214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.635214 (E_RNA)
where:
Base-Base interactions energy: -164.387
where: short stacking energy: -152.218
Base-Backbone interact. energy: 4.346
local terms energy: -312.594724
where:
bonds (distance) C4'-P energy: -87.010
bonds (distance) P-C4' energy: -89.625
flat angles C4'-P-C4' energy: -79.780
flat angles P-C4'-P energy: -50.774
tors. eta vs tors. theta energy: -5.406
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: 7
=====================================
Write number: 11
Temperature: 1.200000
Total energy: -468.117171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -468.117171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -468.117171 (E_RNA)
where:
Base-Base interactions energy: -184.461
where: short stacking energy: -147.367
Base-Backbone interact. energy: -2.022
local terms energy: -281.633826
where:
bonds (distance) C4'-P energy: -69.175
bonds (distance) P-C4' energy: -91.899
flat angles C4'-P-C4' energy: -82.847
flat angles P-C4'-P energy: -36.392
tors. eta vs tors. theta energy: -1.321
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 11
Temperature: 1.250000
Total energy: -401.619946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -401.619946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -401.619946 (E_RNA)
where:
Base-Base interactions energy: -116.454
where: short stacking energy: -96.382
Base-Backbone interact. energy: 0.739
local terms energy: -285.904904
where:
bonds (distance) C4'-P energy: -92.208
bonds (distance) P-C4' energy: -72.814
flat angles C4'-P-C4' energy: -80.962
flat angles P-C4'-P energy: -45.915
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: 9
=====================================
Write number: 11
Temperature: 1.300000
Total energy: -378.387530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -378.387530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -378.387530 (E_RNA)
where:
Base-Base interactions energy: -122.362
where: short stacking energy: -93.721
Base-Backbone interact. energy: 0.621
local terms energy: -256.647261
where:
bonds (distance) C4'-P energy: -74.359
bonds (distance) P-C4' energy: -84.936
flat angles C4'-P-C4' energy: -82.152
flat angles P-C4'-P energy: -40.261
tors. eta vs tors. theta energy: 25.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 11
Temperature: 1.350000
Total energy: -366.310980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.310980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.310980 (E_RNA)
where:
Base-Base interactions energy: -118.047
where: short stacking energy: -95.828
Base-Backbone interact. energy: 0.129
local terms energy: -248.393250
where:
bonds (distance) C4'-P energy: -82.619
bonds (distance) P-C4' energy: -84.024
flat angles C4'-P-C4' energy: -66.385
flat angles P-C4'-P energy: -39.155
tors. eta vs tors. theta energy: 23.790
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 12
Temperature: 0.900000
Total energy: -962.157715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -962.157715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -962.157715 (E_RNA)
where:
Base-Base interactions energy: -491.445
where: short stacking energy: -352.906
Base-Backbone interact. energy: -0.037
local terms energy: -470.675634
where:
bonds (distance) C4'-P energy: -93.990
bonds (distance) P-C4' energy: -102.396
flat angles C4'-P-C4' energy: -102.373
flat angles P-C4'-P energy: -72.165
tors. eta vs tors. theta energy: -99.751
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 12
Temperature: 0.950000
Total energy: -901.775459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -901.775459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -901.775459 (E_RNA)
where:
Base-Base interactions energy: -494.745
where: short stacking energy: -294.477
Base-Backbone interact. energy: -0.041
local terms energy: -406.990329
where:
bonds (distance) C4'-P energy: -95.260
bonds (distance) P-C4' energy: -89.083
flat angles C4'-P-C4' energy: -89.080
flat angles P-C4'-P energy: -57.709
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: 3, replica: 1
=====================================
Write number: 12
Temperature: 1.000000
Total energy: -698.550458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -698.550458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -698.550458 (E_RNA)
where:
Base-Base interactions energy: -296.749
where: short stacking energy: -266.591
Base-Backbone interact. energy: -0.508
local terms energy: -401.293100
where:
bonds (distance) C4'-P energy: -90.186
bonds (distance) P-C4' energy: -86.774
flat angles C4'-P-C4' energy: -89.701
flat angles P-C4'-P energy: -67.665
tors. eta vs tors. theta energy: -66.968
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 12
Temperature: 1.050000
Total energy: -655.979836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -655.979836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -655.979836 (E_RNA)
where:
Base-Base interactions energy: -314.411
where: short stacking energy: -211.888
Base-Backbone interact. energy: -0.825
local terms energy: -340.743814
where:
bonds (distance) C4'-P energy: -88.636
bonds (distance) P-C4' energy: -88.757
flat angles C4'-P-C4' energy: -75.560
flat angles P-C4'-P energy: -47.907
tors. eta vs tors. theta energy: -39.884
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 12
Temperature: 1.100000
Total energy: -650.941864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -650.941864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -650.941864 (E_RNA)
where:
Base-Base interactions energy: -305.540
where: short stacking energy: -210.598
Base-Backbone interact. energy: -2.986
local terms energy: -342.415553
where:
bonds (distance) C4'-P energy: -69.560
bonds (distance) P-C4' energy: -84.454
flat angles C4'-P-C4' energy: -76.870
flat angles P-C4'-P energy: -65.392
tors. eta vs tors. theta energy: -46.140
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 12
Temperature: 1.150000
Total energy: -495.106735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.106735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.106735 (E_RNA)
where:
Base-Base interactions energy: -174.412
where: short stacking energy: -165.096
Base-Backbone interact. energy: -1.770
local terms energy: -318.924690
where:
bonds (distance) C4'-P energy: -80.660
bonds (distance) P-C4' energy: -92.025
flat angles C4'-P-C4' energy: -79.313
flat angles P-C4'-P energy: -54.167
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: 8
=====================================
Write number: 12
Temperature: 1.200000
Total energy: -466.275376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -466.275376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -466.275376 (E_RNA)
where:
Base-Base interactions energy: -174.278
where: short stacking energy: -141.365
Base-Backbone interact. energy: 2.645
local terms energy: -294.642820
where:
bonds (distance) C4'-P energy: -74.979
bonds (distance) P-C4' energy: -84.794
flat angles C4'-P-C4' energy: -66.847
flat angles P-C4'-P energy: -55.788
tors. eta vs tors. theta energy: -12.235
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: 7
=====================================
Write number: 12
Temperature: 1.250000
Total energy: -418.306866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.306866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.306866 (E_RNA)
where:
Base-Base interactions energy: -166.444
where: short stacking energy: -133.121
Base-Backbone interact. energy: 2.634
local terms energy: -254.496894
where:
bonds (distance) C4'-P energy: -68.238
bonds (distance) P-C4' energy: -72.175
flat angles C4'-P-C4' energy: -63.029
flat angles P-C4'-P energy: -43.945
tors. eta vs tors. theta energy: -7.109
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 12
Temperature: 1.300000
Total energy: -394.495887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -394.495887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -394.495887 (E_RNA)
where:
Base-Base interactions energy: -119.423
where: short stacking energy: -105.520
Base-Backbone interact. energy: -2.430
local terms energy: -272.642542
where:
bonds (distance) C4'-P energy: -59.359
bonds (distance) P-C4' energy: -80.013
flat angles C4'-P-C4' energy: -87.799
flat angles P-C4'-P energy: -45.438
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: 10, replica: 9
=====================================
Write number: 12
Temperature: 1.350000
Total energy: -344.472920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.472920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.472920 (E_RNA)
where:
Base-Base interactions energy: -105.781
where: short stacking energy: -95.923
Base-Backbone interact. energy: 3.159
local terms energy: -241.851534
where:
bonds (distance) C4'-P energy: -84.270
bonds (distance) P-C4' energy: -76.192
flat angles C4'-P-C4' energy: -52.423
flat angles P-C4'-P energy: -47.158
tors. eta vs tors. theta energy: 18.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 13
Temperature: 0.900000
Total energy: -956.624294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -956.624294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -956.624294 (E_RNA)
where:
Base-Base interactions energy: -524.946
where: short stacking energy: -367.326
Base-Backbone interact. energy: -0.365
local terms energy: -431.314217
where:
bonds (distance) C4'-P energy: -94.225
bonds (distance) P-C4' energy: -95.204
flat angles C4'-P-C4' energy: -94.913
flat angles P-C4'-P energy: -60.830
tors. eta vs tors. theta energy: -86.143
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: 13
Temperature: 0.950000
Total energy: -911.874101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -911.874101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -911.874101 (E_RNA)
where:
Base-Base interactions energy: -497.478
where: short stacking energy: -301.406
Base-Backbone interact. energy: 3.045
local terms energy: -417.441276
where:
bonds (distance) C4'-P energy: -85.555
bonds (distance) P-C4' energy: -97.287
flat angles C4'-P-C4' energy: -97.508
flat angles P-C4'-P energy: -57.474
tors. eta vs tors. theta energy: -79.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 13
Temperature: 1.000000
Total energy: -660.069619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -660.069619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -660.069619 (E_RNA)
where:
Base-Base interactions energy: -294.780
where: short stacking energy: -261.424
Base-Backbone interact. energy: -0.035
local terms energy: -365.254416
where:
bonds (distance) C4'-P energy: -91.003
bonds (distance) P-C4' energy: -86.406
flat angles C4'-P-C4' energy: -93.186
flat angles P-C4'-P energy: -43.257
tors. eta vs tors. theta energy: -51.402
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 13
Temperature: 1.050000
Total energy: -680.036647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -680.036647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -680.036647 (E_RNA)
where:
Base-Base interactions energy: -320.072
where: short stacking energy: -230.387
Base-Backbone interact. energy: 1.203
local terms energy: -361.167747
where:
bonds (distance) C4'-P energy: -90.047
bonds (distance) P-C4' energy: -77.599
flat angles C4'-P-C4' energy: -87.974
flat angles P-C4'-P energy: -55.537
tors. eta vs tors. theta energy: -50.011
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 13
Temperature: 1.100000
Total energy: -649.909315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -649.909315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -649.909315 (E_RNA)
where:
Base-Base interactions energy: -290.602
where: short stacking energy: -229.736
Base-Backbone interact. energy: -0.107
local terms energy: -359.199863
where:
bonds (distance) C4'-P energy: -84.270
bonds (distance) P-C4' energy: -78.724
flat angles C4'-P-C4' energy: -87.484
flat angles P-C4'-P energy: -52.751
tors. eta vs tors. theta energy: -55.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 13
Temperature: 1.150000
Total energy: -496.622638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.622638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.622638 (E_RNA)
where:
Base-Base interactions energy: -172.261
where: short stacking energy: -157.414
Base-Backbone interact. energy: 0.266
local terms energy: -324.627826
where:
bonds (distance) C4'-P energy: -89.781
bonds (distance) P-C4' energy: -86.898
flat angles C4'-P-C4' energy: -79.391
flat angles P-C4'-P energy: -54.570
tors. eta vs tors. theta energy: -13.988
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 13
Temperature: 1.200000
Total energy: -490.993385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.993385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.993385 (E_RNA)
where:
Base-Base interactions energy: -189.969
where: short stacking energy: -139.790
Base-Backbone interact. energy: -0.340
local terms energy: -300.683935
where:
bonds (distance) C4'-P energy: -77.979
bonds (distance) P-C4' energy: -76.862
flat angles C4'-P-C4' energy: -82.762
flat angles P-C4'-P energy: -48.693
tors. eta vs tors. theta energy: -14.389
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: 13
Temperature: 1.250000
Total energy: -432.410890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -432.410890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -432.410890 (E_RNA)
where:
Base-Base interactions energy: -159.350
where: short stacking energy: -143.057
Base-Backbone interact. energy: 1.097
local terms energy: -274.158021
where:
bonds (distance) C4'-P energy: -96.738
bonds (distance) P-C4' energy: -83.052
flat angles C4'-P-C4' energy: -62.191
flat angles P-C4'-P energy: -27.268
tors. eta vs tors. theta energy: -4.909
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 13
Temperature: 1.300000
Total energy: -386.324846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -386.324846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -386.324846 (E_RNA)
where:
Base-Base interactions energy: -141.721
where: short stacking energy: -135.076
Base-Backbone interact. energy: -1.039
local terms energy: -243.564639
where:
bonds (distance) C4'-P energy: -68.695
bonds (distance) P-C4' energy: -79.564
flat angles C4'-P-C4' energy: -79.820
flat angles P-C4'-P energy: -24.105
tors. eta vs tors. theta energy: 8.620
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: 10, replica: 9
=====================================
Write number: 13
Temperature: 1.350000
Total energy: -347.642657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.642657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.642657 (E_RNA)
where:
Base-Base interactions energy: -102.808
where: short stacking energy: -89.932
Base-Backbone interact. energy: -2.491
local terms energy: -242.343569
where:
bonds (distance) C4'-P energy: -76.280
bonds (distance) P-C4' energy: -67.940
flat angles C4'-P-C4' energy: -71.150
flat angles P-C4'-P energy: -41.522
tors. eta vs tors. theta energy: 14.549
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 14
Temperature: 0.900000
Total energy: -964.740225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -964.740225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -964.740225 (E_RNA)
where:
Base-Base interactions energy: -526.806
where: short stacking energy: -331.276
Base-Backbone interact. energy: -0.271
local terms energy: -437.662868
where:
bonds (distance) C4'-P energy: -97.013
bonds (distance) P-C4' energy: -93.020
flat angles C4'-P-C4' energy: -95.593
flat angles P-C4'-P energy: -67.489
tors. eta vs tors. theta energy: -84.548
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: 14
Temperature: 0.950000
Total energy: -932.095998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -932.095998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -932.095998 (E_RNA)
where:
Base-Base interactions energy: -525.174
where: short stacking energy: -300.834
Base-Backbone interact. energy: -1.542
local terms energy: -405.379683
where:
bonds (distance) C4'-P energy: -80.559
bonds (distance) P-C4' energy: -102.602
flat angles C4'-P-C4' energy: -91.406
flat angles P-C4'-P energy: -57.488
tors. eta vs tors. theta energy: -73.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 14
Temperature: 1.000000
Total energy: -717.141251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -717.141251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -717.141251 (E_RNA)
where:
Base-Base interactions energy: -334.579
where: short stacking energy: -272.997
Base-Backbone interact. energy: -1.471
local terms energy: -381.091845
where:
bonds (distance) C4'-P energy: -83.815
bonds (distance) P-C4' energy: -83.665
flat angles C4'-P-C4' energy: -96.031
flat angles P-C4'-P energy: -60.144
tors. eta vs tors. theta energy: -57.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 14
Temperature: 1.050000
Total energy: -617.637865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -617.637865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -617.637865 (E_RNA)
where:
Base-Base interactions energy: -287.384
where: short stacking energy: -214.728
Base-Backbone interact. energy: 1.681
local terms energy: -331.934933
where:
bonds (distance) C4'-P energy: -70.369
bonds (distance) P-C4' energy: -83.187
flat angles C4'-P-C4' energy: -88.288
flat angles P-C4'-P energy: -55.464
tors. eta vs tors. theta energy: -34.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 14
Temperature: 1.100000
Total energy: -619.940065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -619.940065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -619.940065 (E_RNA)
where:
Base-Base interactions energy: -273.184
where: short stacking energy: -181.317
Base-Backbone interact. energy: -1.395
local terms energy: -345.360272
where:
bonds (distance) C4'-P energy: -73.048
bonds (distance) P-C4' energy: -86.718
flat angles C4'-P-C4' energy: -89.252
flat angles P-C4'-P energy: -63.533
tors. eta vs tors. theta energy: -32.810
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: 14
Temperature: 1.150000
Total energy: -549.359237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.359237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.359237 (E_RNA)
where:
Base-Base interactions energy: -232.444
where: short stacking energy: -179.180
Base-Backbone interact. energy: 0.943
local terms energy: -317.857913
where:
bonds (distance) C4'-P energy: -68.916
bonds (distance) P-C4' energy: -91.684
flat angles C4'-P-C4' energy: -80.007
flat angles P-C4'-P energy: -52.231
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: 7, replica: 7
=====================================
Write number: 14
Temperature: 1.200000
Total energy: -462.944088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.944088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -462.944088 (E_RNA)
where:
Base-Base interactions energy: -168.089
where: short stacking energy: -146.040
Base-Backbone interact. energy: 4.683
local terms energy: -299.537740
where:
bonds (distance) C4'-P energy: -84.803
bonds (distance) P-C4' energy: -87.035
flat angles C4'-P-C4' energy: -66.233
flat angles P-C4'-P energy: -48.029
tors. eta vs tors. theta energy: -13.437
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 14
Temperature: 1.250000
Total energy: -404.260877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -404.260877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -404.260877 (E_RNA)
where:
Base-Base interactions energy: -129.537
where: short stacking energy: -112.224
Base-Backbone interact. energy: -0.321
local terms energy: -274.402888
where:
bonds (distance) C4'-P energy: -81.188
bonds (distance) P-C4' energy: -85.489
flat angles C4'-P-C4' energy: -71.019
flat angles P-C4'-P energy: -48.781
tors. eta vs tors. theta energy: 12.073
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: 14
Temperature: 1.300000
Total energy: -370.620292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.620292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.620292 (E_RNA)
where:
Base-Base interactions energy: -125.089
where: short stacking energy: -103.276
Base-Backbone interact. energy: 0.165
local terms energy: -245.696366
where:
bonds (distance) C4'-P energy: -72.101
bonds (distance) P-C4' energy: -86.837
flat angles C4'-P-C4' energy: -68.070
flat angles P-C4'-P energy: -34.694
tors. eta vs tors. theta energy: 16.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 14
Temperature: 1.350000
Total energy: -347.451583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.451583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.451583 (E_RNA)
where:
Base-Base interactions energy: -102.443
where: short stacking energy: -97.413
Base-Backbone interact. energy: 0.691
local terms energy: -245.699362
where:
bonds (distance) C4'-P energy: -72.911
bonds (distance) P-C4' energy: -84.681
flat angles C4'-P-C4' energy: -53.009
flat angles P-C4'-P energy: -45.284
tors. eta vs tors. theta energy: 10.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 15
Temperature: 0.900000
Total energy: -981.814347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -981.814347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -981.814347 (E_RNA)
where:
Base-Base interactions energy: -523.723
where: short stacking energy: -335.542
Base-Backbone interact. energy: -3.113
local terms energy: -454.978678
where:
bonds (distance) C4'-P energy: -90.570
bonds (distance) P-C4' energy: -106.207
flat angles C4'-P-C4' energy: -104.793
flat angles P-C4'-P energy: -68.451
tors. eta vs tors. theta energy: -84.957
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 15
Temperature: 0.950000
Total energy: -978.386955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -978.386955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -978.386955 (E_RNA)
where:
Base-Base interactions energy: -549.163
where: short stacking energy: -322.093
Base-Backbone interact. energy: -1.816
local terms energy: -427.407259
where:
bonds (distance) C4'-P energy: -95.836
bonds (distance) P-C4' energy: -97.955
flat angles C4'-P-C4' energy: -94.643
flat angles P-C4'-P energy: -56.592
tors. eta vs tors. theta energy: -82.380
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: 3
=====================================
Write number: 15
Temperature: 1.000000
Total energy: -713.457231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -713.457231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -713.457231 (E_RNA)
where:
Base-Base interactions energy: -334.007
where: short stacking energy: -266.611
Base-Backbone interact. energy: -0.785
local terms energy: -378.665230
where:
bonds (distance) C4'-P energy: -82.190
bonds (distance) P-C4' energy: -94.946
flat angles C4'-P-C4' energy: -92.335
flat angles P-C4'-P energy: -56.887
tors. eta vs tors. theta energy: -52.308
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: 4, replica: 5
=====================================
Write number: 15
Temperature: 1.050000
Total energy: -678.923860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -678.923860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -678.923860 (E_RNA)
where:
Base-Base interactions energy: -307.939
where: short stacking energy: -185.055
Base-Backbone interact. energy: -1.277
local terms energy: -369.707294
where:
bonds (distance) C4'-P energy: -79.642
bonds (distance) P-C4' energy: -100.271
flat angles C4'-P-C4' energy: -94.146
flat angles P-C4'-P energy: -60.403
tors. eta vs tors. theta energy: -35.245
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: 1
=====================================
Write number: 15
Temperature: 1.100000
Total energy: -575.198134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -575.198134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -575.198134 (E_RNA)
where:
Base-Base interactions energy: -245.917
where: short stacking energy: -184.342
Base-Backbone interact. energy: -2.468
local terms energy: -326.812782
where:
bonds (distance) C4'-P energy: -60.386
bonds (distance) P-C4' energy: -95.157
flat angles C4'-P-C4' energy: -78.190
flat angles P-C4'-P energy: -62.512
tors. eta vs tors. theta energy: -30.568
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: 15
Temperature: 1.150000
Total energy: -512.214756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.214756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.214756 (E_RNA)
where:
Base-Base interactions energy: -195.495
where: short stacking energy: -182.590
Base-Backbone interact. energy: 0.026
local terms energy: -316.745372
where:
bonds (distance) C4'-P energy: -85.025
bonds (distance) P-C4' energy: -81.971
flat angles C4'-P-C4' energy: -86.247
flat angles P-C4'-P energy: -38.527
tors. eta vs tors. theta energy: -24.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 15
Temperature: 1.200000
Total energy: -461.497198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -461.497198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -461.497198 (E_RNA)
where:
Base-Base interactions energy: -185.506
where: short stacking energy: -154.705
Base-Backbone interact. energy: -1.341
local terms energy: -274.649899
where:
bonds (distance) C4'-P energy: -74.740
bonds (distance) P-C4' energy: -81.431
flat angles C4'-P-C4' energy: -73.400
flat angles P-C4'-P energy: -30.968
tors. eta vs tors. theta energy: -14.111
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 15
Temperature: 1.250000
Total energy: -418.524388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.524388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.524388 (E_RNA)
where:
Base-Base interactions energy: -130.850
where: short stacking energy: -121.169
Base-Backbone interact. energy: -0.182
local terms energy: -287.492343
where:
bonds (distance) C4'-P energy: -87.685
bonds (distance) P-C4' energy: -76.699
flat angles C4'-P-C4' energy: -76.932
flat angles P-C4'-P energy: -40.243
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: 9, replica: 8
=====================================
Write number: 15
Temperature: 1.300000
Total energy: -387.449768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -387.449768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -387.449768 (E_RNA)
where:
Base-Base interactions energy: -143.886
where: short stacking energy: -117.985
Base-Backbone interact. energy: 2.483
local terms energy: -246.046755
where:
bonds (distance) C4'-P energy: -77.731
bonds (distance) P-C4' energy: -79.903
flat angles C4'-P-C4' energy: -50.715
flat angles P-C4'-P energy: -30.512
tors. eta vs tors. theta energy: -7.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 15
Temperature: 1.350000
Total energy: -365.250593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.250593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.250593 (E_RNA)
where:
Base-Base interactions energy: -123.313
where: short stacking energy: -106.901
Base-Backbone interact. energy: 0.007
local terms energy: -241.945102
where:
bonds (distance) C4'-P energy: -65.355
bonds (distance) P-C4' energy: -90.332
flat angles C4'-P-C4' energy: -67.172
flat angles P-C4'-P energy: -23.567
tors. eta vs tors. theta energy: 4.482
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: 16
Temperature: 0.900000
Total energy: -1068.303447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1068.303447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1068.303447 (E_RNA)
where:
Base-Base interactions energy: -609.340
where: short stacking energy: -382.352
Base-Backbone interact. energy: 0.693
local terms energy: -459.656951
where:
bonds (distance) C4'-P energy: -98.266
bonds (distance) P-C4' energy: -96.349
flat angles C4'-P-C4' energy: -97.428
flat angles P-C4'-P energy: -65.009
tors. eta vs tors. theta energy: -102.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 16
Temperature: 0.950000
Total energy: -958.252277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -958.252277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -958.252277 (E_RNA)
where:
Base-Base interactions energy: -519.372
where: short stacking energy: -322.026
Base-Backbone interact. energy: -1.770
local terms energy: -437.109987
where:
bonds (distance) C4'-P energy: -92.463
bonds (distance) P-C4' energy: -98.725
flat angles C4'-P-C4' energy: -102.845
flat angles P-C4'-P energy: -54.300
tors. eta vs tors. theta energy: -88.776
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 16
Temperature: 1.000000
Total energy: -758.787214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -758.787214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -758.787214 (E_RNA)
where:
Base-Base interactions energy: -366.242
where: short stacking energy: -271.013
Base-Backbone interact. energy: -0.454
local terms energy: -392.091574
where:
bonds (distance) C4'-P energy: -87.369
bonds (distance) P-C4' energy: -89.156
flat angles C4'-P-C4' energy: -90.860
flat angles P-C4'-P energy: -62.410
tors. eta vs tors. theta energy: -62.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 16
Temperature: 1.050000
Total energy: -644.832009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -644.832009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -644.832009 (E_RNA)
where:
Base-Base interactions energy: -274.139
where: short stacking energy: -231.622
Base-Backbone interact. energy: -4.415
local terms energy: -366.277717
where:
bonds (distance) C4'-P energy: -80.922
bonds (distance) P-C4' energy: -94.868
flat angles C4'-P-C4' energy: -89.029
flat angles P-C4'-P energy: -64.976
tors. eta vs tors. theta energy: -36.483
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 16
Temperature: 1.100000
Total energy: -609.677680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -609.677680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -609.677680 (E_RNA)
where:
Base-Base interactions energy: -269.101
where: short stacking energy: -202.454
Base-Backbone interact. energy: 1.224
local terms energy: -341.800639
where:
bonds (distance) C4'-P energy: -86.415
bonds (distance) P-C4' energy: -86.215
flat angles C4'-P-C4' energy: -75.807
flat angles P-C4'-P energy: -60.613
tors. eta vs tors. theta energy: -32.751
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 16
Temperature: 1.150000
Total energy: -511.023409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.023409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.023409 (E_RNA)
where:
Base-Base interactions energy: -204.632
where: short stacking energy: -164.152
Base-Backbone interact. energy: -1.432
local terms energy: -304.959813
where:
bonds (distance) C4'-P energy: -79.223
bonds (distance) P-C4' energy: -80.849
flat angles C4'-P-C4' energy: -85.397
flat angles P-C4'-P energy: -49.538
tors. eta vs tors. theta energy: -9.954
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: 6
=====================================
Write number: 16
Temperature: 1.200000
Total energy: -504.898224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.898224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.898224 (E_RNA)
where:
Base-Base interactions energy: -216.498
where: short stacking energy: -191.502
Base-Backbone interact. energy: 2.135
local terms energy: -290.534416
where:
bonds (distance) C4'-P energy: -81.839
bonds (distance) P-C4' energy: -70.755
flat angles C4'-P-C4' energy: -85.422
flat angles P-C4'-P energy: -32.924
tors. eta vs tors. theta energy: -19.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 16
Temperature: 1.250000
Total energy: -433.971026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -433.971026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -433.971026 (E_RNA)
where:
Base-Base interactions energy: -163.351
where: short stacking energy: -131.017
Base-Backbone interact. energy: 1.745
local terms energy: -272.365398
where:
bonds (distance) C4'-P energy: -79.521
bonds (distance) P-C4' energy: -84.906
flat angles C4'-P-C4' energy: -62.484
flat angles P-C4'-P energy: -49.541
tors. eta vs tors. theta energy: 4.086
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: 9, replica: 10
=====================================
Write number: 16
Temperature: 1.300000
Total energy: -383.232768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -383.232768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -383.232768 (E_RNA)
where:
Base-Base interactions energy: -123.214
where: short stacking energy: -103.397
Base-Backbone interact. energy: 0.533
local terms energy: -260.552252
where:
bonds (distance) C4'-P energy: -79.762
bonds (distance) P-C4' energy: -87.043
flat angles C4'-P-C4' energy: -76.199
flat angles P-C4'-P energy: -23.555
tors. eta vs tors. theta energy: 6.008
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: 8
=====================================
Write number: 16
Temperature: 1.350000
Total energy: -364.794336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.794336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.794336 (E_RNA)
where:
Base-Base interactions energy: -118.505
where: short stacking energy: -114.150
Base-Backbone interact. energy: -0.402
local terms energy: -245.887890
where:
bonds (distance) C4'-P energy: -82.995
bonds (distance) P-C4' energy: -76.083
flat angles C4'-P-C4' energy: -74.395
flat angles P-C4'-P energy: -32.564
tors. eta vs tors. theta energy: 20.150
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: 17
Temperature: 0.900000
Total energy: -1033.024445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1033.024445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1033.024445 (E_RNA)
where:
Base-Base interactions energy: -584.709
where: short stacking energy: -339.532
Base-Backbone interact. energy: -0.081
local terms energy: -448.234356
where:
bonds (distance) C4'-P energy: -98.430
bonds (distance) P-C4' energy: -95.261
flat angles C4'-P-C4' energy: -97.225
flat angles P-C4'-P energy: -68.740
tors. eta vs tors. theta energy: -88.578
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: 2, replica: 2
=====================================
Write number: 17
Temperature: 0.950000
Total energy: -950.105396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -950.105396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -950.105396 (E_RNA)
where:
Base-Base interactions energy: -513.250
where: short stacking energy: -320.372
Base-Backbone interact. energy: -2.929
local terms energy: -433.925841
where:
bonds (distance) C4'-P energy: -98.191
bonds (distance) P-C4' energy: -102.653
flat angles C4'-P-C4' energy: -95.406
flat angles P-C4'-P energy: -55.111
tors. eta vs tors. theta energy: -82.564
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: 3
=====================================
Write number: 17
Temperature: 1.000000
Total energy: -789.674442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -789.674442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -789.674442 (E_RNA)
where:
Base-Base interactions energy: -371.740
where: short stacking energy: -278.001
Base-Backbone interact. energy: -0.655
local terms energy: -417.278613
where:
bonds (distance) C4'-P energy: -89.128
bonds (distance) P-C4' energy: -98.128
flat angles C4'-P-C4' energy: -89.913
flat angles P-C4'-P energy: -62.075
tors. eta vs tors. theta energy: -78.036
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 17
Temperature: 1.050000
Total energy: -669.229215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -669.229215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -669.229215 (E_RNA)
where:
Base-Base interactions energy: -318.341
where: short stacking energy: -228.859
Base-Backbone interact. energy: -1.923
local terms energy: -348.965627
where:
bonds (distance) C4'-P energy: -77.798
bonds (distance) P-C4' energy: -83.341
flat angles C4'-P-C4' energy: -88.628
flat angles P-C4'-P energy: -55.404
tors. eta vs tors. theta energy: -43.795
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 17
Temperature: 1.100000
Total energy: -594.426031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -594.426031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -594.426031 (E_RNA)
where:
Base-Base interactions energy: -269.753
where: short stacking energy: -207.636
Base-Backbone interact. energy: 3.689
local terms energy: -328.361931
where:
bonds (distance) C4'-P energy: -92.608
bonds (distance) P-C4' energy: -87.808
flat angles C4'-P-C4' energy: -78.454
flat angles P-C4'-P energy: -41.150
tors. eta vs tors. theta energy: -28.342
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: 6
=====================================
Write number: 17
Temperature: 1.150000
Total energy: -558.269276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -558.269276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -558.269276 (E_RNA)
where:
Base-Base interactions energy: -248.543
where: short stacking energy: -189.046
Base-Backbone interact. energy: -2.306
local terms energy: -307.420191
where:
bonds (distance) C4'-P energy: -83.957
bonds (distance) P-C4' energy: -85.924
flat angles C4'-P-C4' energy: -81.404
flat angles P-C4'-P energy: -36.592
tors. eta vs tors. theta energy: -19.544
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: 7
=====================================
Write number: 17
Temperature: 1.200000
Total energy: -456.248887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -456.248887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -456.248887 (E_RNA)
where:
Base-Base interactions energy: -160.080
where: short stacking energy: -149.242
Base-Backbone interact. energy: -0.382
local terms energy: -295.787045
where:
bonds (distance) C4'-P energy: -90.896
bonds (distance) P-C4' energy: -86.949
flat angles C4'-P-C4' energy: -55.247
flat angles P-C4'-P energy: -53.212
tors. eta vs tors. theta energy: -9.483
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 17
Temperature: 1.250000
Total energy: -418.778435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.778435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.778435 (E_RNA)
where:
Base-Base interactions energy: -155.289
where: short stacking energy: -131.657
Base-Backbone interact. energy: -1.494
local terms energy: -261.995782
where:
bonds (distance) C4'-P energy: -83.757
bonds (distance) P-C4' energy: -85.953
flat angles C4'-P-C4' energy: -44.794
flat angles P-C4'-P energy: -51.994
tors. eta vs tors. theta energy: 4.502
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 17
Temperature: 1.300000
Total energy: -372.071325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -372.071325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -372.071325 (E_RNA)
where:
Base-Base interactions energy: -97.233
where: short stacking energy: -95.967
Base-Backbone interact. energy: 0.489
local terms energy: -275.327330
where:
bonds (distance) C4'-P energy: -87.139
bonds (distance) P-C4' energy: -82.065
flat angles C4'-P-C4' energy: -67.814
flat angles P-C4'-P energy: -40.640
tors. eta vs tors. theta energy: 2.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 17
Temperature: 1.350000
Total energy: -343.044820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.044820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.044820 (E_RNA)
where:
Base-Base interactions energy: -110.701
where: short stacking energy: -93.044
Base-Backbone interact. energy: 0.698
local terms energy: -233.041855
where:
bonds (distance) C4'-P energy: -83.306
bonds (distance) P-C4' energy: -77.746
flat angles C4'-P-C4' energy: -55.804
flat angles P-C4'-P energy: -19.875
tors. eta vs tors. theta energy: 3.690
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: 18
Temperature: 0.900000
Total energy: -1055.923817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1055.923817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1055.923817 (E_RNA)
where:
Base-Base interactions energy: -605.020
where: short stacking energy: -381.231
Base-Backbone interact. energy: -1.150
local terms energy: -449.753095
where:
bonds (distance) C4'-P energy: -76.153
bonds (distance) P-C4' energy: -84.230
flat angles C4'-P-C4' energy: -103.550
flat angles P-C4'-P energy: -74.849
tors. eta vs tors. theta energy: -110.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 18
Temperature: 0.950000
Total energy: -977.892882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -977.892882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -977.892882 (E_RNA)
where:
Base-Base interactions energy: -553.715
where: short stacking energy: -345.825
Base-Backbone interact. energy: 1.279
local terms energy: -425.456751
where:
bonds (distance) C4'-P energy: -78.436
bonds (distance) P-C4' energy: -100.774
flat angles C4'-P-C4' energy: -94.054
flat angles P-C4'-P energy: -66.477
tors. eta vs tors. theta energy: -85.716
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: 3
=====================================
Write number: 18
Temperature: 1.000000
Total energy: -822.160878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -822.160878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -822.160878 (E_RNA)
where:
Base-Base interactions energy: -409.947
where: short stacking energy: -293.710
Base-Backbone interact. energy: -0.940
local terms energy: -411.273635
where:
bonds (distance) C4'-P energy: -84.528
bonds (distance) P-C4' energy: -96.097
flat angles C4'-P-C4' energy: -105.439
flat angles P-C4'-P energy: -57.328
tors. eta vs tors. theta energy: -67.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 18
Temperature: 1.050000
Total energy: -674.326442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -674.326442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -674.326442 (E_RNA)
where:
Base-Base interactions energy: -305.112
where: short stacking energy: -216.025
Base-Backbone interact. energy: -0.759
local terms energy: -368.455476
where:
bonds (distance) C4'-P energy: -85.412
bonds (distance) P-C4' energy: -103.925
flat angles C4'-P-C4' energy: -75.009
flat angles P-C4'-P energy: -62.513
tors. eta vs tors. theta energy: -41.596
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 18
Temperature: 1.100000
Total energy: -599.327568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -599.327568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -599.327568 (E_RNA)
where:
Base-Base interactions energy: -262.087
where: short stacking energy: -186.362
Base-Backbone interact. energy: 0.200
local terms energy: -337.440714
where:
bonds (distance) C4'-P energy: -84.602
bonds (distance) P-C4' energy: -89.817
flat angles C4'-P-C4' energy: -71.326
flat angles P-C4'-P energy: -59.285
tors. eta vs tors. theta energy: -32.411
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 18
Temperature: 1.150000
Total energy: -520.163895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.163895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.163895 (E_RNA)
where:
Base-Base interactions energy: -208.894
where: short stacking energy: -153.093
Base-Backbone interact. energy: -1.974
local terms energy: -309.295820
where:
bonds (distance) C4'-P energy: -86.367
bonds (distance) P-C4' energy: -87.935
flat angles C4'-P-C4' energy: -81.972
flat angles P-C4'-P energy: -41.032
tors. eta vs tors. theta energy: -11.989
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: 7, replica: 7
=====================================
Write number: 18
Temperature: 1.200000
Total energy: -431.603956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -431.603956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -431.603956 (E_RNA)
where:
Base-Base interactions energy: -152.135
where: short stacking energy: -137.001
Base-Backbone interact. energy: 2.456
local terms energy: -281.924744
where:
bonds (distance) C4'-P energy: -70.825
bonds (distance) P-C4' energy: -81.046
flat angles C4'-P-C4' energy: -90.384
flat angles P-C4'-P energy: -41.485
tors. eta vs tors. theta energy: 1.814
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: 8, replica: 10
=====================================
Write number: 18
Temperature: 1.250000
Total energy: -441.866313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -441.866313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -441.866313 (E_RNA)
where:
Base-Base interactions energy: -177.012
where: short stacking energy: -140.416
Base-Backbone interact. energy: 2.044
local terms energy: -266.898164
where:
bonds (distance) C4'-P energy: -78.907
bonds (distance) P-C4' energy: -83.369
flat angles C4'-P-C4' energy: -78.796
flat angles P-C4'-P energy: -17.034
tors. eta vs tors. theta energy: -8.792
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: 8
=====================================
Write number: 18
Temperature: 1.300000
Total energy: -379.240865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -379.240865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -379.240865 (E_RNA)
where:
Base-Base interactions energy: -130.783
where: short stacking energy: -106.196
Base-Backbone interact. energy: 0.934
local terms energy: -249.391613
where:
bonds (distance) C4'-P energy: -77.565
bonds (distance) P-C4' energy: -75.564
flat angles C4'-P-C4' energy: -81.351
flat angles P-C4'-P energy: -32.173
tors. eta vs tors. theta energy: 17.261
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 18
Temperature: 1.350000
Total energy: -352.486078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.486078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.486078 (E_RNA)
where:
Base-Base interactions energy: -122.903
where: short stacking energy: -96.057
Base-Backbone interact. energy: 2.945
local terms energy: -232.528895
where:
bonds (distance) C4'-P energy: -77.318
bonds (distance) P-C4' energy: -75.434
flat angles C4'-P-C4' energy: -68.205
flat angles P-C4'-P energy: -28.566
tors. eta vs tors. theta energy: 16.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 19
Temperature: 0.900000
Total energy: -1099.500621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1099.500621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1099.500621 (E_RNA)
where:
Base-Base interactions energy: -632.383
where: short stacking energy: -391.504
Base-Backbone interact. energy: -0.413
local terms energy: -466.704690
where:
bonds (distance) C4'-P energy: -95.472
bonds (distance) P-C4' energy: -93.792
flat angles C4'-P-C4' energy: -100.983
flat angles P-C4'-P energy: -66.763
tors. eta vs tors. theta energy: -109.695
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 19
Temperature: 0.950000
Total energy: -907.310633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -907.310633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -907.310633 (E_RNA)
where:
Base-Base interactions energy: -488.457
where: short stacking energy: -299.062
Base-Backbone interact. energy: -1.328
local terms energy: -417.526377
where:
bonds (distance) C4'-P energy: -96.724
bonds (distance) P-C4' energy: -94.178
flat angles C4'-P-C4' energy: -96.462
flat angles P-C4'-P energy: -59.440
tors. eta vs tors. theta energy: -70.722
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: 3, replica: 3
=====================================
Write number: 19
Temperature: 1.000000
Total energy: -750.005150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -750.005150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -750.005150 (E_RNA)
where:
Base-Base interactions energy: -375.945
where: short stacking energy: -264.700
Base-Backbone interact. energy: -0.238
local terms energy: -373.821551
where:
bonds (distance) C4'-P energy: -85.987
bonds (distance) P-C4' energy: -90.268
flat angles C4'-P-C4' energy: -80.762
flat angles P-C4'-P energy: -63.615
tors. eta vs tors. theta energy: -53.189
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: 1
=====================================
Write number: 19
Temperature: 1.050000
Total energy: -697.494872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -697.494872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -697.494872 (E_RNA)
where:
Base-Base interactions energy: -346.274
where: short stacking energy: -242.542
Base-Backbone interact. energy: -1.441
local terms energy: -349.780342
where:
bonds (distance) C4'-P energy: -88.246
bonds (distance) P-C4' energy: -82.220
flat angles C4'-P-C4' energy: -83.714
flat angles P-C4'-P energy: -52.028
tors. eta vs tors. theta energy: -43.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 19
Temperature: 1.100000
Total energy: -577.499743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -577.499743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -577.499743 (E_RNA)
where:
Base-Base interactions energy: -234.107
where: short stacking energy: -199.297
Base-Backbone interact. energy: 0.941
local terms energy: -344.334366
where:
bonds (distance) C4'-P energy: -80.181
bonds (distance) P-C4' energy: -82.134
flat angles C4'-P-C4' energy: -87.774
flat angles P-C4'-P energy: -62.693
tors. eta vs tors. theta energy: -31.553
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 19
Temperature: 1.150000
Total energy: -546.441048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.441048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.441048 (E_RNA)
where:
Base-Base interactions energy: -231.630
where: short stacking energy: -184.451
Base-Backbone interact. energy: 6.857
local terms energy: -321.667188
where:
bonds (distance) C4'-P energy: -82.476
bonds (distance) P-C4' energy: -87.228
flat angles C4'-P-C4' energy: -79.924
flat angles P-C4'-P energy: -53.656
tors. eta vs tors. theta energy: -18.383
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 19
Temperature: 1.200000
Total energy: -439.029658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -439.029658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -439.029658 (E_RNA)
where:
Base-Base interactions energy: -153.865
where: short stacking energy: -130.617
Base-Backbone interact. energy: 0.765
local terms energy: -285.929734
where:
bonds (distance) C4'-P energy: -78.351
bonds (distance) P-C4' energy: -96.550
flat angles C4'-P-C4' energy: -74.339
flat angles P-C4'-P energy: -37.299
tors. eta vs tors. theta energy: 0.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 19
Temperature: 1.250000
Total energy: -449.120587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -449.120587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -449.120587 (E_RNA)
where:
Base-Base interactions energy: -166.956
where: short stacking energy: -149.710
Base-Backbone interact. energy: -0.060
local terms energy: -282.104483
where:
bonds (distance) C4'-P energy: -85.827
bonds (distance) P-C4' energy: -79.725
flat angles C4'-P-C4' energy: -73.604
flat angles P-C4'-P energy: -36.581
tors. eta vs tors. theta energy: -6.367
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 19
Temperature: 1.300000
Total energy: -365.632543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.632543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.632543 (E_RNA)
where:
Base-Base interactions energy: -101.200
where: short stacking energy: -96.216
Base-Backbone interact. energy: 3.709
local terms energy: -268.141541
where:
bonds (distance) C4'-P energy: -84.126
bonds (distance) P-C4' energy: -73.710
flat angles C4'-P-C4' energy: -81.143
flat angles P-C4'-P energy: -38.377
tors. eta vs tors. theta energy: 9.215
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 19
Temperature: 1.350000
Total energy: -350.053433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.053433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.053433 (E_RNA)
where:
Base-Base interactions energy: -104.633
where: short stacking energy: -90.768
Base-Backbone interact. energy: 1.065
local terms energy: -246.485534
where:
bonds (distance) C4'-P energy: -70.714
bonds (distance) P-C4' energy: -73.111
flat angles C4'-P-C4' energy: -82.333
flat angles P-C4'-P energy: -29.601
tors. eta vs tors. theta energy: 9.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 20
Temperature: 0.900000
Total energy: -1121.013982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1121.013982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1121.013982 (E_RNA)
where:
Base-Base interactions energy: -669.664
where: short stacking energy: -400.612
Base-Backbone interact. energy: -1.733
local terms energy: -449.616988
where:
bonds (distance) C4'-P energy: -96.221
bonds (distance) P-C4' energy: -87.802
flat angles C4'-P-C4' energy: -104.227
flat angles P-C4'-P energy: -58.492
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: 2
=====================================
Write number: 20
Temperature: 0.950000
Total energy: -933.856703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -933.856703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -933.856703 (E_RNA)
where:
Base-Base interactions energy: -521.028
where: short stacking energy: -322.065
Base-Backbone interact. energy: -1.898
local terms energy: -410.930777
where:
bonds (distance) C4'-P energy: -79.521
bonds (distance) P-C4' energy: -91.072
flat angles C4'-P-C4' energy: -100.746
flat angles P-C4'-P energy: -70.101
tors. eta vs tors. theta energy: -69.491
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: 20
Temperature: 1.000000
Total energy: -803.238395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -803.238395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -803.238395 (E_RNA)
where:
Base-Base interactions energy: -403.454
where: short stacking energy: -267.239
Base-Backbone interact. energy: 0.292
local terms energy: -400.076374
where:
bonds (distance) C4'-P energy: -97.035
bonds (distance) P-C4' energy: -86.987
flat angles C4'-P-C4' energy: -98.060
flat angles P-C4'-P energy: -57.251
tors. eta vs tors. theta energy: -60.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 20
Temperature: 1.050000
Total energy: -658.347440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -658.347440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -658.347440 (E_RNA)
where:
Base-Base interactions energy: -281.880
where: short stacking energy: -213.909
Base-Backbone interact. energy: 1.140
local terms energy: -377.607009
where:
bonds (distance) C4'-P energy: -97.236
bonds (distance) P-C4' energy: -101.607
flat angles C4'-P-C4' energy: -83.294
flat angles P-C4'-P energy: -50.724
tors. eta vs tors. theta energy: -44.746
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 20
Temperature: 1.100000
Total energy: -614.932206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -614.932206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -614.932206 (E_RNA)
where:
Base-Base interactions energy: -282.053
where: short stacking energy: -182.606
Base-Backbone interact. energy: -1.078
local terms energy: -331.801134
where:
bonds (distance) C4'-P energy: -83.785
bonds (distance) P-C4' energy: -86.442
flat angles C4'-P-C4' energy: -85.513
flat angles P-C4'-P energy: -47.977
tors. eta vs tors. theta energy: -28.083
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: 6
=====================================
Write number: 20
Temperature: 1.150000
Total energy: -528.898472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.898472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.898472 (E_RNA)
where:
Base-Base interactions energy: -200.333
where: short stacking energy: -155.463
Base-Backbone interact. energy: -1.542
local terms energy: -327.024261
where:
bonds (distance) C4'-P energy: -81.789
bonds (distance) P-C4' energy: -82.320
flat angles C4'-P-C4' energy: -83.850
flat angles P-C4'-P energy: -62.552
tors. eta vs tors. theta energy: -16.513
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 20
Temperature: 1.200000
Total energy: -471.437903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -471.437903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -471.437903 (E_RNA)
where:
Base-Base interactions energy: -158.396
where: short stacking energy: -133.313
Base-Backbone interact. energy: 1.152
local terms energy: -314.193923
where:
bonds (distance) C4'-P energy: -81.106
bonds (distance) P-C4' energy: -83.082
flat angles C4'-P-C4' energy: -88.530
flat angles P-C4'-P energy: -48.776
tors. eta vs tors. theta energy: -12.700
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 20
Temperature: 1.250000
Total energy: -419.755664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.755664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.755664 (E_RNA)
where:
Base-Base interactions energy: -137.546
where: short stacking energy: -122.803
Base-Backbone interact. energy: -1.758
local terms energy: -280.451093
where:
bonds (distance) C4'-P energy: -79.922
bonds (distance) P-C4' energy: -92.034
flat angles C4'-P-C4' energy: -71.224
flat angles P-C4'-P energy: -49.014
tors. eta vs tors. theta energy: 11.743
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: 9, replica: 9
=====================================
Write number: 20
Temperature: 1.300000
Total energy: -386.974018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -386.974018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -386.974018 (E_RNA)
where:
Base-Base interactions energy: -124.608
where: short stacking energy: -114.234
Base-Backbone interact. energy: -2.282
local terms energy: -260.083694
where:
bonds (distance) C4'-P energy: -61.465
bonds (distance) P-C4' energy: -85.397
flat angles C4'-P-C4' energy: -73.711
flat angles P-C4'-P energy: -43.253
tors. eta vs tors. theta energy: 3.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 20
Temperature: 1.350000
Total energy: -342.799534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.799534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.799534 (E_RNA)
where:
Base-Base interactions energy: -109.666
where: short stacking energy: -97.428
Base-Backbone interact. energy: 3.466
local terms energy: -236.598856
where:
bonds (distance) C4'-P energy: -72.812
bonds (distance) P-C4' energy: -92.905
flat angles C4'-P-C4' energy: -52.606
flat angles P-C4'-P energy: -44.921
tors. eta vs tors. theta energy: 26.644
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: 21
Temperature: 0.900000
Total energy: -1115.187699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1115.187699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1115.187699 (E_RNA)
where:
Base-Base interactions energy: -642.507
where: short stacking energy: -369.371
Base-Backbone interact. energy: -4.051
local terms energy: -468.630146
where:
bonds (distance) C4'-P energy: -100.834
bonds (distance) P-C4' energy: -93.552
flat angles C4'-P-C4' energy: -98.059
flat angles P-C4'-P energy: -69.479
tors. eta vs tors. theta energy: -106.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 21
Temperature: 0.950000
Total energy: -945.661081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -945.661081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -945.661081 (E_RNA)
where:
Base-Base interactions energy: -517.402
where: short stacking energy: -338.466
Base-Backbone interact. energy: 0.345
local terms energy: -428.604749
where:
bonds (distance) C4'-P energy: -87.312
bonds (distance) P-C4' energy: -83.972
flat angles C4'-P-C4' energy: -92.237
flat angles P-C4'-P energy: -72.091
tors. eta vs tors. theta energy: -92.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 21
Temperature: 1.000000
Total energy: -812.964694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -812.964694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -812.964694 (E_RNA)
where:
Base-Base interactions energy: -401.795
where: short stacking energy: -308.318
Base-Backbone interact. energy: -0.003
local terms energy: -411.166866
where:
bonds (distance) C4'-P energy: -97.755
bonds (distance) P-C4' energy: -86.468
flat angles C4'-P-C4' energy: -93.763
flat angles P-C4'-P energy: -64.077
tors. eta vs tors. theta energy: -69.104
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 21
Temperature: 1.050000
Total energy: -781.875156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -781.875156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -781.875156 (E_RNA)
where:
Base-Base interactions energy: -396.339
where: short stacking energy: -244.095
Base-Backbone interact. energy: 0.294
local terms energy: -385.829675
where:
bonds (distance) C4'-P energy: -89.641
bonds (distance) P-C4' energy: -87.623
flat angles C4'-P-C4' energy: -88.463
flat angles P-C4'-P energy: -55.134
tors. eta vs tors. theta energy: -64.970
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: 5
=====================================
Write number: 21
Temperature: 1.100000
Total energy: -573.729663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -573.729663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -573.729663 (E_RNA)
where:
Base-Base interactions energy: -235.175
where: short stacking energy: -203.703
Base-Backbone interact. energy: -0.136
local terms energy: -338.418354
where:
bonds (distance) C4'-P energy: -83.170
bonds (distance) P-C4' energy: -84.916
flat angles C4'-P-C4' energy: -88.440
flat angles P-C4'-P energy: -57.029
tors. eta vs tors. theta energy: -24.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 21
Temperature: 1.150000
Total energy: -517.515838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.515838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.515838 (E_RNA)
where:
Base-Base interactions energy: -193.717
where: short stacking energy: -153.631
Base-Backbone interact. energy: -2.145
local terms energy: -321.653447
where:
bonds (distance) C4'-P energy: -80.348
bonds (distance) P-C4' energy: -100.199
flat angles C4'-P-C4' energy: -89.316
flat angles P-C4'-P energy: -47.270
tors. eta vs tors. theta energy: -4.520
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 21
Temperature: 1.200000
Total energy: -440.913826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -440.913826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -440.913826 (E_RNA)
where:
Base-Base interactions energy: -135.487
where: short stacking energy: -114.500
Base-Backbone interact. energy: 0.940
local terms energy: -306.367685
where:
bonds (distance) C4'-P energy: -75.573
bonds (distance) P-C4' energy: -98.924
flat angles C4'-P-C4' energy: -77.913
flat angles P-C4'-P energy: -45.990
tors. eta vs tors. theta energy: -7.967
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: 21
Temperature: 1.250000
Total energy: -426.002414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -426.002414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -426.002414 (E_RNA)
where:
Base-Base interactions energy: -153.852
where: short stacking energy: -153.258
Base-Backbone interact. energy: -2.380
local terms energy: -269.771051
where:
bonds (distance) C4'-P energy: -71.768
bonds (distance) P-C4' energy: -93.316
flat angles C4'-P-C4' energy: -59.716
flat angles P-C4'-P energy: -37.499
tors. eta vs tors. theta energy: -7.473
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 21
Temperature: 1.300000
Total energy: -373.589915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.589915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.589915 (E_RNA)
where:
Base-Base interactions energy: -134.233
where: short stacking energy: -112.874
Base-Backbone interact. energy: -0.638
local terms energy: -238.719537
where:
bonds (distance) C4'-P energy: -56.997
bonds (distance) P-C4' energy: -76.901
flat angles C4'-P-C4' energy: -62.086
flat angles P-C4'-P energy: -45.204
tors. eta vs tors. theta energy: 2.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 21
Temperature: 1.350000
Total energy: -346.524054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.524054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.524054 (E_RNA)
where:
Base-Base interactions energy: -93.281
where: short stacking energy: -90.806
Base-Backbone interact. energy: -0.040
local terms energy: -253.202363
where:
bonds (distance) C4'-P energy: -73.937
bonds (distance) P-C4' energy: -93.206
flat angles C4'-P-C4' energy: -67.757
flat angles P-C4'-P energy: -43.872
tors. eta vs tors. theta energy: 25.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 22
Temperature: 0.900000
Total energy: -1131.530445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1131.530445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1131.530445 (E_RNA)
where:
Base-Base interactions energy: -670.493
where: short stacking energy: -378.029
Base-Backbone interact. energy: -2.587
local terms energy: -458.450581
where:
bonds (distance) C4'-P energy: -92.231
bonds (distance) P-C4' energy: -86.678
flat angles C4'-P-C4' energy: -113.583
flat angles P-C4'-P energy: -68.177
tors. eta vs tors. theta energy: -97.781
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: 2
=====================================
Write number: 22
Temperature: 0.950000
Total energy: -942.134116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -942.134116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -942.134116 (E_RNA)
where:
Base-Base interactions energy: -495.857
where: short stacking energy: -331.311
Base-Backbone interact. energy: -2.394
local terms energy: -443.883149
where:
bonds (distance) C4'-P energy: -99.200
bonds (distance) P-C4' energy: -100.556
flat angles C4'-P-C4' energy: -89.561
flat angles P-C4'-P energy: -61.843
tors. eta vs tors. theta energy: -92.723
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 22
Temperature: 1.000000
Total energy: -850.112862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -850.112862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -850.112862 (E_RNA)
where:
Base-Base interactions energy: -450.961
where: short stacking energy: -296.368
Base-Backbone interact. energy: 0.853
local terms energy: -400.004719
where:
bonds (distance) C4'-P energy: -79.681
bonds (distance) P-C4' energy: -83.258
flat angles C4'-P-C4' energy: -90.039
flat angles P-C4'-P energy: -60.871
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: 22
Temperature: 1.050000
Total energy: -680.087402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -680.087402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -680.087402 (E_RNA)
where:
Base-Base interactions energy: -332.522
where: short stacking energy: -203.483
Base-Backbone interact. energy: -0.215
local terms energy: -347.350603
where:
bonds (distance) C4'-P energy: -94.556
bonds (distance) P-C4' energy: -81.130
flat angles C4'-P-C4' energy: -88.022
flat angles P-C4'-P energy: -45.293
tors. eta vs tors. theta energy: -38.351
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 22
Temperature: 1.100000
Total energy: -527.299414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.299414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.299414 (E_RNA)
where:
Base-Base interactions energy: -205.043
where: short stacking energy: -177.770
Base-Backbone interact. energy: 1.313
local terms energy: -323.569728
where:
bonds (distance) C4'-P energy: -84.424
bonds (distance) P-C4' energy: -81.806
flat angles C4'-P-C4' energy: -86.867
flat angles P-C4'-P energy: -61.978
tors. eta vs tors. theta energy: -8.495
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 22
Temperature: 1.150000
Total energy: -475.914490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -475.914490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -475.914490 (E_RNA)
where:
Base-Base interactions energy: -178.168
where: short stacking energy: -148.470
Base-Backbone interact. energy: 1.485
local terms energy: -299.231227
where:
bonds (distance) C4'-P energy: -86.328
bonds (distance) P-C4' energy: -87.115
flat angles C4'-P-C4' energy: -82.872
flat angles P-C4'-P energy: -37.764
tors. eta vs tors. theta energy: -5.151
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 22
Temperature: 1.200000
Total energy: -452.778793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -452.778793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -452.778793 (E_RNA)
where:
Base-Base interactions energy: -167.872
where: short stacking energy: -146.792
Base-Backbone interact. energy: 1.091
local terms energy: -285.997760
where:
bonds (distance) C4'-P energy: -65.032
bonds (distance) P-C4' energy: -72.943
flat angles C4'-P-C4' energy: -78.987
flat angles P-C4'-P energy: -51.198
tors. eta vs tors. theta energy: -17.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 22
Temperature: 1.250000
Total energy: -414.036802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.036802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.036802 (E_RNA)
where:
Base-Base interactions energy: -129.259
where: short stacking energy: -126.671
Base-Backbone interact. energy: -1.429
local terms energy: -283.348417
where:
bonds (distance) C4'-P energy: -76.286
bonds (distance) P-C4' energy: -71.787
flat angles C4'-P-C4' energy: -81.092
flat angles P-C4'-P energy: -47.123
tors. eta vs tors. theta energy: -7.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 22
Temperature: 1.300000
Total energy: -404.117784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -404.117784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -404.117784 (E_RNA)
where:
Base-Base interactions energy: -129.338
where: short stacking energy: -127.417
Base-Backbone interact. energy: -0.638
local terms energy: -274.142244
where:
bonds (distance) C4'-P energy: -70.978
bonds (distance) P-C4' energy: -77.977
flat angles C4'-P-C4' energy: -75.984
flat angles P-C4'-P energy: -39.285
tors. eta vs tors. theta energy: -9.919
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 22
Temperature: 1.350000
Total energy: -360.954044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.954044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.954044 (E_RNA)
where:
Base-Base interactions energy: -131.109
where: short stacking energy: -118.558
Base-Backbone interact. energy: 2.365
local terms energy: -232.209618
where:
bonds (distance) C4'-P energy: -83.241
bonds (distance) P-C4' energy: -75.640
flat angles C4'-P-C4' energy: -57.374
flat angles P-C4'-P energy: -25.237
tors. eta vs tors. theta energy: 9.282
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: 23
Temperature: 0.900000
Total energy: -1118.485424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1118.485424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1118.485424 (E_RNA)
where:
Base-Base interactions energy: -652.896
where: short stacking energy: -402.298
Base-Backbone interact. energy: -0.809
local terms energy: -464.780018
where:
bonds (distance) C4'-P energy: -91.419
bonds (distance) P-C4' energy: -95.528
flat angles C4'-P-C4' energy: -98.535
flat angles P-C4'-P energy: -62.870
tors. eta vs tors. theta energy: -116.428
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: 2
=====================================
Write number: 23
Temperature: 0.950000
Total energy: -901.345423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -901.345423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -901.345423 (E_RNA)
where:
Base-Base interactions energy: -477.773
where: short stacking energy: -317.440
Base-Backbone interact. energy: -0.288
local terms energy: -423.284757
where:
bonds (distance) C4'-P energy: -93.492
bonds (distance) P-C4' energy: -95.867
flat angles C4'-P-C4' energy: -90.415
flat angles P-C4'-P energy: -67.797
tors. eta vs tors. theta energy: -75.714
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 23
Temperature: 1.000000
Total energy: -804.188556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -804.188556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -804.188556 (E_RNA)
where:
Base-Base interactions energy: -403.632
where: short stacking energy: -255.211
Base-Backbone interact. energy: -2.296
local terms energy: -398.259829
where:
bonds (distance) C4'-P energy: -94.581
bonds (distance) P-C4' energy: -87.252
flat angles C4'-P-C4' energy: -86.987
flat angles P-C4'-P energy: -68.765
tors. eta vs tors. theta energy: -60.674
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: 23
Temperature: 1.050000
Total energy: -674.207956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -674.207956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -674.207956 (E_RNA)
where:
Base-Base interactions energy: -310.799
where: short stacking energy: -238.808
Base-Backbone interact. energy: -1.196
local terms energy: -362.213381
where:
bonds (distance) C4'-P energy: -83.481
bonds (distance) P-C4' energy: -95.209
flat angles C4'-P-C4' energy: -82.434
flat angles P-C4'-P energy: -55.072
tors. eta vs tors. theta energy: -46.017
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: 5, replica: 5
=====================================
Write number: 23
Temperature: 1.100000
Total energy: -525.943190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.943190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.943190 (E_RNA)
where:
Base-Base interactions energy: -207.786
where: short stacking energy: -183.998
Base-Backbone interact. energy: -0.806
local terms energy: -317.351604
where:
bonds (distance) C4'-P energy: -82.479
bonds (distance) P-C4' energy: -82.517
flat angles C4'-P-C4' energy: -72.609
flat angles P-C4'-P energy: -44.205
tors. eta vs tors. theta energy: -35.540
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: 10
=====================================
Write number: 23
Temperature: 1.150000
Total energy: -471.247404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -471.247404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -471.247404 (E_RNA)
where:
Base-Base interactions energy: -176.538
where: short stacking energy: -152.842
Base-Backbone interact. energy: -0.622
local terms energy: -294.087448
where:
bonds (distance) C4'-P energy: -85.827
bonds (distance) P-C4' energy: -78.099
flat angles C4'-P-C4' energy: -76.947
flat angles P-C4'-P energy: -45.954
tors. eta vs tors. theta energy: -7.261
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 23
Temperature: 1.200000
Total energy: -453.215268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -453.215268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -453.215268 (E_RNA)
where:
Base-Base interactions energy: -157.306
where: short stacking energy: -136.079
Base-Backbone interact. energy: 1.047
local terms energy: -296.955746
where:
bonds (distance) C4'-P energy: -77.031
bonds (distance) P-C4' energy: -89.926
flat angles C4'-P-C4' energy: -75.879
flat angles P-C4'-P energy: -53.510
tors. eta vs tors. theta energy: -0.610
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 23
Temperature: 1.250000
Total energy: -413.061498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.061498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -413.061498 (E_RNA)
where:
Base-Base interactions energy: -154.075
where: short stacking energy: -140.952
Base-Backbone interact. energy: 3.798
local terms energy: -262.784727
where:
bonds (distance) C4'-P energy: -69.627
bonds (distance) P-C4' energy: -93.638
flat angles C4'-P-C4' energy: -68.350
flat angles P-C4'-P energy: -29.865
tors. eta vs tors. theta energy: -1.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 23
Temperature: 1.300000
Total energy: -384.634201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -384.634201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -384.634201 (E_RNA)
where:
Base-Base interactions energy: -144.267
where: short stacking energy: -137.645
Base-Backbone interact. energy: 3.299
local terms energy: -243.665748
where:
bonds (distance) C4'-P energy: -60.611
bonds (distance) P-C4' energy: -73.869
flat angles C4'-P-C4' energy: -64.506
flat angles P-C4'-P energy: -41.877
tors. eta vs tors. theta energy: -2.803
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 23
Temperature: 1.350000
Total energy: -360.489662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.489662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.489662 (E_RNA)
where:
Base-Base interactions energy: -109.379
where: short stacking energy: -91.369
Base-Backbone interact. energy: 1.612
local terms energy: -252.722351
where:
bonds (distance) C4'-P energy: -75.242
bonds (distance) P-C4' energy: -79.321
flat angles C4'-P-C4' energy: -72.788
flat angles P-C4'-P energy: -34.604
tors. eta vs tors. theta energy: 9.233
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: 1, replica: 4
=====================================
Write number: 24
Temperature: 0.900000
Total energy: -1145.891775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1145.891775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1145.891775 (E_RNA)
where:
Base-Base interactions energy: -664.072
where: short stacking energy: -363.675
Base-Backbone interact. energy: -1.252
local terms energy: -480.567162
where:
bonds (distance) C4'-P energy: -93.184
bonds (distance) P-C4' energy: -97.382
flat angles C4'-P-C4' energy: -101.928
flat angles P-C4'-P energy: -77.297
tors. eta vs tors. theta energy: -110.776
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 24
Temperature: 0.950000
Total energy: -900.263884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -900.263884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -900.263884 (E_RNA)
where:
Base-Base interactions energy: -473.453
where: short stacking energy: -326.988
Base-Backbone interact. energy: 1.057
local terms energy: -427.867836
where:
bonds (distance) C4'-P energy: -81.491
bonds (distance) P-C4' energy: -105.571
flat angles C4'-P-C4' energy: -96.140
flat angles P-C4'-P energy: -70.272
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: 3, replica: 1
=====================================
Write number: 24
Temperature: 1.000000
Total energy: -804.061415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -804.061415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -804.061415 (E_RNA)
where:
Base-Base interactions energy: -424.559
where: short stacking energy: -255.697
Base-Backbone interact. energy: 2.392
local terms energy: -381.894576
where:
bonds (distance) C4'-P energy: -81.731
bonds (distance) P-C4' energy: -101.482
flat angles C4'-P-C4' energy: -91.161
flat angles P-C4'-P energy: -41.066
tors. eta vs tors. theta energy: -66.456
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: 3
=====================================
Write number: 24
Temperature: 1.050000
Total energy: -682.870196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -682.870196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -682.870196 (E_RNA)
where:
Base-Base interactions energy: -317.066
where: short stacking energy: -249.734
Base-Backbone interact. energy: 0.317
local terms energy: -366.121277
where:
bonds (distance) C4'-P energy: -69.192
bonds (distance) P-C4' energy: -89.873
flat angles C4'-P-C4' energy: -88.794
flat angles P-C4'-P energy: -58.493
tors. eta vs tors. theta energy: -59.770
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: 10
=====================================
Write number: 24
Temperature: 1.100000
Total energy: -567.648410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -567.648410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -567.648410 (E_RNA)
where:
Base-Base interactions energy: -233.974
where: short stacking energy: -226.875
Base-Backbone interact. energy: 0.960
local terms energy: -334.634382
where:
bonds (distance) C4'-P energy: -72.639
bonds (distance) P-C4' energy: -94.780
flat angles C4'-P-C4' energy: -78.023
flat angles P-C4'-P energy: -58.065
tors. eta vs tors. theta energy: -31.128
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 24
Temperature: 1.150000
Total energy: -502.086883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.086883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.086883 (E_RNA)
where:
Base-Base interactions energy: -196.024
where: short stacking energy: -170.704
Base-Backbone interact. energy: -0.039
local terms energy: -306.024524
where:
bonds (distance) C4'-P energy: -80.220
bonds (distance) P-C4' energy: -83.416
flat angles C4'-P-C4' energy: -72.715
flat angles P-C4'-P energy: -52.593
tors. eta vs tors. theta energy: -17.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 24
Temperature: 1.200000
Total energy: -439.375773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -439.375773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -439.375773 (E_RNA)
where:
Base-Base interactions energy: -160.568
where: short stacking energy: -128.089
Base-Backbone interact. energy: -0.309
local terms energy: -278.498932
where:
bonds (distance) C4'-P energy: -80.761
bonds (distance) P-C4' energy: -92.750
flat angles C4'-P-C4' energy: -62.651
flat angles P-C4'-P energy: -32.668
tors. eta vs tors. theta energy: -9.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 24
Temperature: 1.250000
Total energy: -424.277049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -424.277049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -424.277049 (E_RNA)
where:
Base-Base interactions energy: -179.310
where: short stacking energy: -128.197
Base-Backbone interact. energy: 0.724
local terms energy: -245.690456
where:
bonds (distance) C4'-P energy: -77.204
bonds (distance) P-C4' energy: -74.094
flat angles C4'-P-C4' energy: -73.048
flat angles P-C4'-P energy: -31.920
tors. eta vs tors. theta energy: 10.576
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 24
Temperature: 1.300000
Total energy: -387.704869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -387.704869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -387.704869 (E_RNA)
where:
Base-Base interactions energy: -124.578
where: short stacking energy: -113.639
Base-Backbone interact. energy: 2.938
local terms energy: -266.065092
where:
bonds (distance) C4'-P energy: -76.643
bonds (distance) P-C4' energy: -93.996
flat angles C4'-P-C4' energy: -53.284
flat angles P-C4'-P energy: -51.072
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: 24
Temperature: 1.350000
Total energy: -350.918824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.918824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.918824 (E_RNA)
where:
Base-Base interactions energy: -108.737
where: short stacking energy: -108.479
Base-Backbone interact. energy: -0.282
local terms energy: -241.899973
where:
bonds (distance) C4'-P energy: -67.195
bonds (distance) P-C4' energy: -87.408
flat angles C4'-P-C4' energy: -58.354
flat angles P-C4'-P energy: -41.120
tors. eta vs tors. theta energy: 12.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 25
Temperature: 0.900000
Total energy: -1148.278442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1148.278442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1148.278442 (E_RNA)
where:
Base-Base interactions energy: -678.035
where: short stacking energy: -381.865
Base-Backbone interact. energy: -1.552
local terms energy: -468.691888
where:
bonds (distance) C4'-P energy: -99.527
bonds (distance) P-C4' energy: -92.410
flat angles C4'-P-C4' energy: -102.178
flat angles P-C4'-P energy: -63.280
tors. eta vs tors. theta energy: -111.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 25
Temperature: 0.950000
Total energy: -921.840065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -921.840065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -921.840065 (E_RNA)
where:
Base-Base interactions energy: -506.135
where: short stacking energy: -318.009
Base-Backbone interact. energy: -1.588
local terms energy: -414.117421
where:
bonds (distance) C4'-P energy: -99.066
bonds (distance) P-C4' energy: -86.872
flat angles C4'-P-C4' energy: -96.025
flat angles P-C4'-P energy: -53.703
tors. eta vs tors. theta energy: -78.452
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 25
Temperature: 1.000000
Total energy: -862.329775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -862.329775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -862.329775 (E_RNA)
where:
Base-Base interactions energy: -463.150
where: short stacking energy: -309.443
Base-Backbone interact. energy: -2.309
local terms energy: -396.870775
where:
bonds (distance) C4'-P energy: -79.967
bonds (distance) P-C4' energy: -89.790
flat angles C4'-P-C4' energy: -90.528
flat angles P-C4'-P energy: -58.053
tors. eta vs tors. theta energy: -78.533
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: 25
Temperature: 1.050000
Total energy: -699.616043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -699.616043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -699.616043 (E_RNA)
where:
Base-Base interactions energy: -336.953
where: short stacking energy: -248.116
Base-Backbone interact. energy: -1.200
local terms energy: -361.462871
where:
bonds (distance) C4'-P energy: -78.841
bonds (distance) P-C4' energy: -85.372
flat angles C4'-P-C4' energy: -97.983
flat angles P-C4'-P energy: -55.476
tors. eta vs tors. theta energy: -43.790
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: 10
=====================================
Write number: 25
Temperature: 1.100000
Total energy: -541.964826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.964826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.964826 (E_RNA)
where:
Base-Base interactions energy: -214.706
where: short stacking energy: -177.537
Base-Backbone interact. energy: 2.694
local terms energy: -329.953433
where:
bonds (distance) C4'-P energy: -89.531
bonds (distance) P-C4' energy: -85.707
flat angles C4'-P-C4' energy: -93.230
flat angles P-C4'-P energy: -51.147
tors. eta vs tors. theta energy: -10.339
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: 6, replica: 6
=====================================
Write number: 25
Temperature: 1.150000
Total energy: -504.855000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.855000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.855000 (E_RNA)
where:
Base-Base interactions energy: -197.051
where: short stacking energy: -160.990
Base-Backbone interact. energy: 5.671
local terms energy: -313.475449
where:
bonds (distance) C4'-P energy: -82.888
bonds (distance) P-C4' energy: -86.400
flat angles C4'-P-C4' energy: -82.662
flat angles P-C4'-P energy: -45.975
tors. eta vs tors. theta energy: -15.551
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: 5
=====================================
Write number: 25
Temperature: 1.200000
Total energy: -439.860296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -439.860296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -439.860296 (E_RNA)
where:
Base-Base interactions energy: -166.370
where: short stacking energy: -134.464
Base-Backbone interact. energy: 1.121
local terms energy: -274.611103
where:
bonds (distance) C4'-P energy: -80.667
bonds (distance) P-C4' energy: -96.904
flat angles C4'-P-C4' energy: -58.905
flat angles P-C4'-P energy: -43.411
tors. eta vs tors. theta energy: 5.275
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 25
Temperature: 1.250000
Total energy: -411.890276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.890276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.890276 (E_RNA)
where:
Base-Base interactions energy: -143.230
where: short stacking energy: -120.009
Base-Backbone interact. energy: -1.328
local terms energy: -267.331946
where:
bonds (distance) C4'-P energy: -75.303
bonds (distance) P-C4' energy: -71.598
flat angles C4'-P-C4' energy: -71.208
flat angles P-C4'-P energy: -49.262
tors. eta vs tors. theta energy: 0.039
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: 9, replica: 7
=====================================
Write number: 25
Temperature: 1.300000
Total energy: -409.642405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -409.642405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -409.642405 (E_RNA)
where:
Base-Base interactions energy: -157.290
where: short stacking energy: -131.010
Base-Backbone interact. energy: -0.882
local terms energy: -251.470560
where:
bonds (distance) C4'-P energy: -70.869
bonds (distance) P-C4' energy: -67.731
flat angles C4'-P-C4' energy: -74.443
flat angles P-C4'-P energy: -38.137
tors. eta vs tors. theta energy: -0.290
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: 8
=====================================
Write number: 25
Temperature: 1.350000
Total energy: -361.429953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.429953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.429953 (E_RNA)
where:
Base-Base interactions energy: -116.185
where: short stacking energy: -99.686
Base-Backbone interact. energy: -2.500
local terms energy: -242.744916
where:
bonds (distance) C4'-P energy: -63.723
bonds (distance) P-C4' energy: -91.248
flat angles C4'-P-C4' energy: -61.730
flat angles P-C4'-P energy: -36.776
tors. eta vs tors. theta energy: 10.732
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 26
Temperature: 0.900000
Total energy: -1141.650718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1141.650718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1141.650718 (E_RNA)
where:
Base-Base interactions energy: -676.115
where: short stacking energy: -397.609
Base-Backbone interact. energy: -1.493
local terms energy: -464.042596
where:
bonds (distance) C4'-P energy: -83.383
bonds (distance) P-C4' energy: -97.758
flat angles C4'-P-C4' energy: -105.677
flat angles P-C4'-P energy: -62.594
tors. eta vs tors. theta energy: -114.630
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 26
Temperature: 0.950000
Total energy: -892.121052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -892.121052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -892.121052 (E_RNA)
where:
Base-Base interactions energy: -481.302
where: short stacking energy: -299.730
Base-Backbone interact. energy: -1.909
local terms energy: -408.909746
where:
bonds (distance) C4'-P energy: -96.985
bonds (distance) P-C4' energy: -95.643
flat angles C4'-P-C4' energy: -99.284
flat angles P-C4'-P energy: -57.062
tors. eta vs tors. theta energy: -59.936
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 26
Temperature: 1.000000
Total energy: -869.284412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -869.284412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -869.284412 (E_RNA)
where:
Base-Base interactions energy: -456.647
where: short stacking energy: -299.853
Base-Backbone interact. energy: 0.887
local terms energy: -413.524300
where:
bonds (distance) C4'-P energy: -89.732
bonds (distance) P-C4' energy: -94.443
flat angles C4'-P-C4' energy: -87.261
flat angles P-C4'-P energy: -60.257
tors. eta vs tors. theta energy: -81.831
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: 4, replica: 3
=====================================
Write number: 26
Temperature: 1.050000
Total energy: -737.003601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -737.003601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -737.003601 (E_RNA)
where:
Base-Base interactions energy: -345.366
where: short stacking energy: -243.098
Base-Backbone interact. energy: -0.889
local terms energy: -390.748743
where:
bonds (distance) C4'-P energy: -78.549
bonds (distance) P-C4' energy: -94.063
flat angles C4'-P-C4' energy: -94.668
flat angles P-C4'-P energy: -63.824
tors. eta vs tors. theta energy: -59.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 26
Temperature: 1.100000
Total energy: -536.480069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.480069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.480069 (E_RNA)
where:
Base-Base interactions energy: -215.066
where: short stacking energy: -170.399
Base-Backbone interact. energy: 1.386
local terms energy: -322.799945
where:
bonds (distance) C4'-P energy: -84.255
bonds (distance) P-C4' energy: -91.446
flat angles C4'-P-C4' energy: -85.185
flat angles P-C4'-P energy: -48.157
tors. eta vs tors. theta energy: -13.756
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 26
Temperature: 1.150000
Total energy: -494.448229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.448229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.448229 (E_RNA)
where:
Base-Base interactions energy: -171.610
where: short stacking energy: -151.542
Base-Backbone interact. energy: -1.519
local terms energy: -321.319041
where:
bonds (distance) C4'-P energy: -83.163
bonds (distance) P-C4' energy: -81.135
flat angles C4'-P-C4' energy: -92.294
flat angles P-C4'-P energy: -51.702
tors. eta vs tors. theta energy: -13.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 26
Temperature: 1.200000
Total energy: -429.504107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -429.504107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -429.504107 (E_RNA)
where:
Base-Base interactions energy: -140.269
where: short stacking energy: -125.918
Base-Backbone interact. energy: -1.671
local terms energy: -287.563837
where:
bonds (distance) C4'-P energy: -84.453
bonds (distance) P-C4' energy: -78.279
flat angles C4'-P-C4' energy: -63.783
flat angles P-C4'-P energy: -45.610
tors. eta vs tors. theta energy: -15.439
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 26
Temperature: 1.250000
Total energy: -434.105384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -434.105384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -434.105384 (E_RNA)
where:
Base-Base interactions energy: -178.292
where: short stacking energy: -122.845
Base-Backbone interact. energy: -0.119
local terms energy: -255.695178
where:
bonds (distance) C4'-P energy: -77.941
bonds (distance) P-C4' energy: -82.959
flat angles C4'-P-C4' energy: -60.826
flat angles P-C4'-P energy: -42.705
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: 7
=====================================
Write number: 26
Temperature: 1.300000
Total energy: -381.162967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -381.162967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -381.162967 (E_RNA)
where:
Base-Base interactions energy: -125.627
where: short stacking energy: -107.961
Base-Backbone interact. energy: -2.329
local terms energy: -253.206717
where:
bonds (distance) C4'-P energy: -76.962
bonds (distance) P-C4' energy: -82.045
flat angles C4'-P-C4' energy: -74.178
flat angles P-C4'-P energy: -27.961
tors. eta vs tors. theta energy: 7.939
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: 26
Temperature: 1.350000
Total energy: -352.167646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.167646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.167646 (E_RNA)
where:
Base-Base interactions energy: -97.258
where: short stacking energy: -90.095
Base-Backbone interact. energy: -1.031
local terms energy: -253.878496
where:
bonds (distance) C4'-P energy: -71.186
bonds (distance) P-C4' energy: -92.827
flat angles C4'-P-C4' energy: -66.530
flat angles P-C4'-P energy: -38.042
tors. eta vs tors. theta energy: 14.707
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 27
Temperature: 0.900000
Total energy: -1132.460425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1132.460425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1132.460425 (E_RNA)
where:
Base-Base interactions energy: -683.417
where: short stacking energy: -377.223
Base-Backbone interact. energy: 0.895
local terms energy: -449.938232
where:
bonds (distance) C4'-P energy: -98.497
bonds (distance) P-C4' energy: -85.430
flat angles C4'-P-C4' energy: -96.761
flat angles P-C4'-P energy: -71.546
tors. eta vs tors. theta energy: -97.704
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 27
Temperature: 0.950000
Total energy: -899.023835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -899.023835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -899.023835 (E_RNA)
where:
Base-Base interactions energy: -511.582
where: short stacking energy: -327.063
Base-Backbone interact. energy: -0.923
local terms energy: -386.519054
where:
bonds (distance) C4'-P energy: -81.178
bonds (distance) P-C4' energy: -83.057
flat angles C4'-P-C4' energy: -88.937
flat angles P-C4'-P energy: -59.401
tors. eta vs tors. theta energy: -73.945
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 27
Temperature: 1.000000
Total energy: -863.361960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -863.361960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -863.361960 (E_RNA)
where:
Base-Base interactions energy: -468.963
where: short stacking energy: -328.229
Base-Backbone interact. energy: -1.931
local terms energy: -392.468565
where:
bonds (distance) C4'-P energy: -80.389
bonds (distance) P-C4' energy: -81.401
flat angles C4'-P-C4' energy: -80.883
flat angles P-C4'-P energy: -62.244
tors. eta vs tors. theta energy: -87.552
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 27
Temperature: 1.050000
Total energy: -676.547386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -676.547386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -676.547386 (E_RNA)
where:
Base-Base interactions energy: -336.674
where: short stacking energy: -228.315
Base-Backbone interact. energy: 3.500
local terms energy: -343.372905
where:
bonds (distance) C4'-P energy: -56.828
bonds (distance) P-C4' energy: -91.129
flat angles C4'-P-C4' energy: -81.389
flat angles P-C4'-P energy: -49.523
tors. eta vs tors. theta energy: -64.504
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: 10
=====================================
Write number: 27
Temperature: 1.100000
Total energy: -559.073397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -559.073397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -559.073397 (E_RNA)
where:
Base-Base interactions energy: -220.801
where: short stacking energy: -205.327
Base-Backbone interact. energy: -0.615
local terms energy: -337.657294
where:
bonds (distance) C4'-P energy: -88.506
bonds (distance) P-C4' energy: -87.526
flat angles C4'-P-C4' energy: -87.281
flat angles P-C4'-P energy: -47.576
tors. eta vs tors. theta energy: -26.769
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 27
Temperature: 1.150000
Total energy: -511.971112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.971112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.971112 (E_RNA)
where:
Base-Base interactions energy: -220.979
where: short stacking energy: -190.092
Base-Backbone interact. energy: 1.821
local terms energy: -292.813112
where:
bonds (distance) C4'-P energy: -72.239
bonds (distance) P-C4' energy: -85.559
flat angles C4'-P-C4' energy: -75.473
flat angles P-C4'-P energy: -33.427
tors. eta vs tors. theta energy: -26.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 27
Temperature: 1.200000
Total energy: -448.800382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -448.800382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -448.800382 (E_RNA)
where:
Base-Base interactions energy: -176.093
where: short stacking energy: -131.011
Base-Backbone interact. energy: 2.111
local terms energy: -274.818752
where:
bonds (distance) C4'-P energy: -74.024
bonds (distance) P-C4' energy: -76.284
flat angles C4'-P-C4' energy: -72.452
flat angles P-C4'-P energy: -51.444
tors. eta vs tors. theta energy: -0.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 27
Temperature: 1.250000
Total energy: -438.510979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -438.510979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -438.510979 (E_RNA)
where:
Base-Base interactions energy: -173.216
where: short stacking energy: -133.542
Base-Backbone interact. energy: -0.596
local terms energy: -264.698221
where:
bonds (distance) C4'-P energy: -67.402
bonds (distance) P-C4' energy: -83.457
flat angles C4'-P-C4' energy: -71.317
flat angles P-C4'-P energy: -47.750
tors. eta vs tors. theta energy: 5.227
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: 7
=====================================
Write number: 27
Temperature: 1.300000
Total energy: -384.993408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -384.993408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -384.993408 (E_RNA)
where:
Base-Base interactions energy: -141.216
where: short stacking energy: -135.003
Base-Backbone interact. energy: -1.529
local terms energy: -242.248083
where:
bonds (distance) C4'-P energy: -66.369
bonds (distance) P-C4' energy: -82.113
flat angles C4'-P-C4' energy: -75.355
flat angles P-C4'-P energy: -30.040
tors. eta vs tors. theta energy: 11.628
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 27
Temperature: 1.350000
Total energy: -339.729148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.729148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.729148 (E_RNA)
where:
Base-Base interactions energy: -110.143
where: short stacking energy: -93.718
Base-Backbone interact. energy: 1.639
local terms energy: -231.226005
where:
bonds (distance) C4'-P energy: -80.980
bonds (distance) P-C4' energy: -71.707
flat angles C4'-P-C4' energy: -67.031
flat angles P-C4'-P energy: -31.980
tors. eta vs tors. theta energy: 20.473
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: 28
Temperature: 0.900000
Total energy: -1125.968013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1125.968013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1125.968013 (E_RNA)
where:
Base-Base interactions energy: -669.100
where: short stacking energy: -354.824
Base-Backbone interact. energy: -0.456
local terms energy: -456.411652
where:
bonds (distance) C4'-P energy: -89.785
bonds (distance) P-C4' energy: -104.299
flat angles C4'-P-C4' energy: -97.272
flat angles P-C4'-P energy: -66.559
tors. eta vs tors. theta energy: -98.497
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: 2
=====================================
Write number: 28
Temperature: 0.950000
Total energy: -913.615230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -913.615230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -913.615230 (E_RNA)
where:
Base-Base interactions energy: -490.358
where: short stacking energy: -308.313
Base-Backbone interact. energy: -2.221
local terms energy: -421.037033
where:
bonds (distance) C4'-P energy: -102.542
bonds (distance) P-C4' energy: -95.793
flat angles C4'-P-C4' energy: -88.069
flat angles P-C4'-P energy: -55.107
tors. eta vs tors. theta energy: -79.525
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 28
Temperature: 1.000000
Total energy: -853.226387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -853.226387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -853.226387 (E_RNA)
where:
Base-Base interactions energy: -446.098
where: short stacking energy: -273.143
Base-Backbone interact. energy: -4.974
local terms energy: -402.154377
where:
bonds (distance) C4'-P energy: -86.901
bonds (distance) P-C4' energy: -101.088
flat angles C4'-P-C4' energy: -97.181
flat angles P-C4'-P energy: -58.394
tors. eta vs tors. theta energy: -58.590
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: 28
Temperature: 1.050000
Total energy: -657.734935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -657.734935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -657.734935 (E_RNA)
where:
Base-Base interactions energy: -314.120
where: short stacking energy: -225.849
Base-Backbone interact. energy: -0.214
local terms energy: -343.400839
where:
bonds (distance) C4'-P energy: -82.523
bonds (distance) P-C4' energy: -88.836
flat angles C4'-P-C4' energy: -67.434
flat angles P-C4'-P energy: -58.676
tors. eta vs tors. theta energy: -45.931
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: 28
Temperature: 1.100000
Total energy: -568.381536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -568.381536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -568.381536 (E_RNA)
where:
Base-Base interactions energy: -235.164
where: short stacking energy: -194.363
Base-Backbone interact. energy: 0.146
local terms energy: -333.363380
where:
bonds (distance) C4'-P energy: -89.261
bonds (distance) P-C4' energy: -78.600
flat angles C4'-P-C4' energy: -83.928
flat angles P-C4'-P energy: -59.429
tors. eta vs tors. theta energy: -22.146
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: 6, replica: 10
=====================================
Write number: 28
Temperature: 1.150000
Total energy: -504.828898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.828898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.828898 (E_RNA)
where:
Base-Base interactions energy: -183.735
where: short stacking energy: -160.961
Base-Backbone interact. energy: -0.896
local terms energy: -320.197688
where:
bonds (distance) C4'-P energy: -85.538
bonds (distance) P-C4' energy: -87.756
flat angles C4'-P-C4' energy: -89.813
flat angles P-C4'-P energy: -47.287
tors. eta vs tors. theta energy: -9.804
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 28
Temperature: 1.200000
Total energy: -472.310431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -472.310431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.310431 (E_RNA)
where:
Base-Base interactions energy: -178.424
where: short stacking energy: -159.843
Base-Backbone interact. energy: -0.882
local terms energy: -293.004103
where:
bonds (distance) C4'-P energy: -85.588
bonds (distance) P-C4' energy: -95.036
flat angles C4'-P-C4' energy: -67.862
flat angles P-C4'-P energy: -41.291
tors. eta vs tors. theta energy: -3.227
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 28
Temperature: 1.250000
Total energy: -426.746715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -426.746715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -426.746715 (E_RNA)
where:
Base-Base interactions energy: -153.485
where: short stacking energy: -137.356
Base-Backbone interact. energy: 1.757
local terms energy: -275.018210
where:
bonds (distance) C4'-P energy: -87.194
bonds (distance) P-C4' energy: -75.806
flat angles C4'-P-C4' energy: -76.385
flat angles P-C4'-P energy: -35.769
tors. eta vs tors. theta energy: 0.136
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: 8
=====================================
Write number: 28
Temperature: 1.300000
Total energy: -390.742712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -390.742712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -390.742712 (E_RNA)
where:
Base-Base interactions energy: -139.161
where: short stacking energy: -109.100
Base-Backbone interact. energy: -1.482
local terms energy: -250.100012
where:
bonds (distance) C4'-P energy: -72.572
bonds (distance) P-C4' energy: -85.051
flat angles C4'-P-C4' energy: -70.908
flat angles P-C4'-P energy: -27.776
tors. eta vs tors. theta energy: 6.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 28
Temperature: 1.350000
Total energy: -349.040141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.040141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.040141 (E_RNA)
where:
Base-Base interactions energy: -117.453
where: short stacking energy: -98.851
Base-Backbone interact. energy: 3.429
local terms energy: -235.015788
where:
bonds (distance) C4'-P energy: -65.052
bonds (distance) P-C4' energy: -82.440
flat angles C4'-P-C4' energy: -64.765
flat angles P-C4'-P energy: -37.416
tors. eta vs tors. theta energy: 14.657
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 29
Temperature: 0.900000
Total energy: -1133.475489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1133.475489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1133.475489 (E_RNA)
where:
Base-Base interactions energy: -679.608
where: short stacking energy: -369.694
Base-Backbone interact. energy: -0.660
local terms energy: -453.207633
where:
bonds (distance) C4'-P energy: -95.366
bonds (distance) P-C4' energy: -97.783
flat angles C4'-P-C4' energy: -99.312
flat angles P-C4'-P energy: -63.804
tors. eta vs tors. theta energy: -96.943
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 29
Temperature: 0.950000
Total energy: -945.566119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -945.566119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -945.566119 (E_RNA)
where:
Base-Base interactions energy: -514.747
where: short stacking energy: -329.570
Base-Backbone interact. energy: 2.008
local terms energy: -432.827996
where:
bonds (distance) C4'-P energy: -90.911
bonds (distance) P-C4' energy: -95.659
flat angles C4'-P-C4' energy: -88.445
flat angles P-C4'-P energy: -71.427
tors. eta vs tors. theta energy: -86.386
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 29
Temperature: 1.000000
Total energy: -877.553771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -877.553771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -877.553771 (E_RNA)
where:
Base-Base interactions energy: -486.766
where: short stacking energy: -303.813
Base-Backbone interact. energy: -2.926
local terms energy: -387.861868
where:
bonds (distance) C4'-P energy: -77.760
bonds (distance) P-C4' energy: -93.368
flat angles C4'-P-C4' energy: -98.991
flat angles P-C4'-P energy: -52.844
tors. eta vs tors. theta energy: -64.899
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 29
Temperature: 1.050000
Total energy: -659.605986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -659.605986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -659.605986 (E_RNA)
where:
Base-Base interactions energy: -295.225
where: short stacking energy: -231.997
Base-Backbone interact. energy: 0.423
local terms energy: -364.803925
where:
bonds (distance) C4'-P energy: -78.103
bonds (distance) P-C4' energy: -96.332
flat angles C4'-P-C4' energy: -86.409
flat angles P-C4'-P energy: -45.229
tors. eta vs tors. theta energy: -58.730
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 29
Temperature: 1.100000
Total energy: -638.891954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -638.891954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -638.891954 (E_RNA)
where:
Base-Base interactions energy: -304.838
where: short stacking energy: -211.570
Base-Backbone interact. energy: 3.788
local terms energy: -337.841953
where:
bonds (distance) C4'-P energy: -94.512
bonds (distance) P-C4' energy: -84.386
flat angles C4'-P-C4' energy: -76.931
flat angles P-C4'-P energy: -49.775
tors. eta vs tors. theta energy: -32.237
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 29
Temperature: 1.150000
Total energy: -525.273192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.273192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.273192 (E_RNA)
where:
Base-Base interactions energy: -200.043
where: short stacking energy: -173.493
Base-Backbone interact. energy: -0.194
local terms energy: -325.036133
where:
bonds (distance) C4'-P energy: -81.376
bonds (distance) P-C4' energy: -76.401
flat angles C4'-P-C4' energy: -81.860
flat angles P-C4'-P energy: -53.492
tors. eta vs tors. theta energy: -31.906
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: 9
=====================================
Write number: 29
Temperature: 1.200000
Total energy: -422.632089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -422.632089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -422.632089 (E_RNA)
where:
Base-Base interactions energy: -130.675
where: short stacking energy: -120.495
Base-Backbone interact. energy: -1.342
local terms energy: -290.615345
where:
bonds (distance) C4'-P energy: -86.986
bonds (distance) P-C4' energy: -93.327
flat angles C4'-P-C4' energy: -71.407
flat angles P-C4'-P energy: -40.479
tors. eta vs tors. theta energy: 1.584
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 29
Temperature: 1.250000
Total energy: -391.085622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.085622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -391.085622 (E_RNA)
where:
Base-Base interactions energy: -138.933
where: short stacking energy: -125.465
Base-Backbone interact. energy: -2.113
local terms energy: -250.039886
where:
bonds (distance) C4'-P energy: -77.346
bonds (distance) P-C4' energy: -87.099
flat angles C4'-P-C4' energy: -63.562
flat angles P-C4'-P energy: -21.875
tors. eta vs tors. theta energy: -0.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 29
Temperature: 1.300000
Total energy: -374.412323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -374.412323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -374.412323 (E_RNA)
where:
Base-Base interactions energy: -101.545
where: short stacking energy: -93.851
Base-Backbone interact. energy: 1.708
local terms energy: -274.575922
where:
bonds (distance) C4'-P energy: -75.177
bonds (distance) P-C4' energy: -81.062
flat angles C4'-P-C4' energy: -84.922
flat angles P-C4'-P energy: -36.959
tors. eta vs tors. theta energy: 3.544
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 29
Temperature: 1.350000
Total energy: -383.101855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -383.101855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -383.101855 (E_RNA)
where:
Base-Base interactions energy: -115.778
where: short stacking energy: -96.422
Base-Backbone interact. energy: -1.068
local terms energy: -266.255835
where:
bonds (distance) C4'-P energy: -79.909
bonds (distance) P-C4' energy: -83.777
flat angles C4'-P-C4' energy: -79.639
flat angles P-C4'-P energy: -38.088
tors. eta vs tors. theta energy: 15.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 30
Temperature: 0.900000
Total energy: -1142.447539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1142.447539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1142.447539 (E_RNA)
where:
Base-Base interactions energy: -698.024
where: short stacking energy: -371.739
Base-Backbone interact. energy: -3.903
local terms energy: -440.519818
where:
bonds (distance) C4'-P energy: -86.901
bonds (distance) P-C4' energy: -92.146
flat angles C4'-P-C4' energy: -92.689
flat angles P-C4'-P energy: -70.524
tors. eta vs tors. theta energy: -98.260
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: 2
=====================================
Write number: 30
Temperature: 0.950000
Total energy: -929.444481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -929.444481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -929.444481 (E_RNA)
where:
Base-Base interactions energy: -488.737
where: short stacking energy: -341.299
Base-Backbone interact. energy: -0.045
local terms energy: -440.663248
where:
bonds (distance) C4'-P energy: -93.777
bonds (distance) P-C4' energy: -96.318
flat angles C4'-P-C4' energy: -101.369
flat angles P-C4'-P energy: -66.808
tors. eta vs tors. theta energy: -82.391
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: 1
=====================================
Write number: 30
Temperature: 1.000000
Total energy: -967.003998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -967.003998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -967.003998 (E_RNA)
where:
Base-Base interactions energy: -545.881
where: short stacking energy: -354.174
Base-Backbone interact. energy: -0.280
local terms energy: -420.842525
where:
bonds (distance) C4'-P energy: -65.793
bonds (distance) P-C4' energy: -96.327
flat angles C4'-P-C4' energy: -96.798
flat angles P-C4'-P energy: -67.136
tors. eta vs tors. theta energy: -94.790
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 30
Temperature: 1.050000
Total energy: -677.870833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -677.870833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -677.870833 (E_RNA)
where:
Base-Base interactions energy: -331.388
where: short stacking energy: -246.865
Base-Backbone interact. energy: -2.783
local terms energy: -343.700289
where:
bonds (distance) C4'-P energy: -81.996
bonds (distance) P-C4' energy: -79.904
flat angles C4'-P-C4' energy: -88.168
flat angles P-C4'-P energy: -48.283
tors. eta vs tors. theta energy: -45.348
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: 30
Temperature: 1.100000
Total energy: -661.223259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -661.223259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -661.223259 (E_RNA)
where:
Base-Base interactions energy: -311.209
where: short stacking energy: -215.554
Base-Backbone interact. energy: 1.083
local terms energy: -351.097196
where:
bonds (distance) C4'-P energy: -81.180
bonds (distance) P-C4' energy: -94.368
flat angles C4'-P-C4' energy: -85.159
flat angles P-C4'-P energy: -53.775
tors. eta vs tors. theta energy: -36.615
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 30
Temperature: 1.150000
Total energy: -505.397124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.397124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.397124 (E_RNA)
where:
Base-Base interactions energy: -205.235
where: short stacking energy: -170.496
Base-Backbone interact. energy: -1.137
local terms energy: -299.025168
where:
bonds (distance) C4'-P energy: -80.213
bonds (distance) P-C4' energy: -88.158
flat angles C4'-P-C4' energy: -76.658
flat angles P-C4'-P energy: -41.614
tors. eta vs tors. theta energy: -12.382
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 30
Temperature: 1.200000
Total energy: -481.549914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.549914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -481.549914 (E_RNA)
where:
Base-Base interactions energy: -200.667
where: short stacking energy: -194.729
Base-Backbone interact. energy: 4.211
local terms energy: -285.093700
where:
bonds (distance) C4'-P energy: -74.785
bonds (distance) P-C4' energy: -77.825
flat angles C4'-P-C4' energy: -69.807
flat angles P-C4'-P energy: -43.134
tors. eta vs tors. theta energy: -19.543
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: 8
=====================================
Write number: 30
Temperature: 1.250000
Total energy: -409.581116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -409.581116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -409.581116 (E_RNA)
where:
Base-Base interactions energy: -149.506
where: short stacking energy: -127.756
Base-Backbone interact. energy: 0.243
local terms energy: -260.318337
where:
bonds (distance) C4'-P energy: -69.841
bonds (distance) P-C4' energy: -74.142
flat angles C4'-P-C4' energy: -77.305
flat angles P-C4'-P energy: -42.968
tors. eta vs tors. theta energy: 3.938
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 30
Temperature: 1.300000
Total energy: -355.197598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.197598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.197598 (E_RNA)
where:
Base-Base interactions energy: -107.043
where: short stacking energy: -82.672
Base-Backbone interact. energy: -0.405
local terms energy: -247.749678
where:
bonds (distance) C4'-P energy: -75.500
bonds (distance) P-C4' energy: -83.151
flat angles C4'-P-C4' energy: -70.337
flat angles P-C4'-P energy: -40.807
tors. eta vs tors. theta energy: 22.044
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: 30
Temperature: 1.350000
Total energy: -356.814572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.814572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.814572 (E_RNA)
where:
Base-Base interactions energy: -131.189
where: short stacking energy: -120.067
Base-Backbone interact. energy: 1.225
local terms energy: -226.850182
where:
bonds (distance) C4'-P energy: -54.617
bonds (distance) P-C4' energy: -70.927
flat angles C4'-P-C4' energy: -68.000
flat angles P-C4'-P energy: -44.399
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: 1, replica: 4
=====================================
Write number: 31
Temperature: 0.900000
Total energy: -1144.133908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1144.133908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1144.133908 (E_RNA)
where:
Base-Base interactions energy: -681.305
where: short stacking energy: -382.803
Base-Backbone interact. energy: -1.694
local terms energy: -461.134986
where:
bonds (distance) C4'-P energy: -88.132
bonds (distance) P-C4' energy: -97.596
flat angles C4'-P-C4' energy: -96.407
flat angles P-C4'-P energy: -74.817
tors. eta vs tors. theta energy: -104.183
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: 2
=====================================
Write number: 31
Temperature: 0.950000
Total energy: -948.981653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -948.981653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -948.981653 (E_RNA)
where:
Base-Base interactions energy: -495.234
where: short stacking energy: -335.875
Base-Backbone interact. energy: -1.277
local terms energy: -452.470596
where:
bonds (distance) C4'-P energy: -79.754
bonds (distance) P-C4' energy: -106.306
flat angles C4'-P-C4' energy: -99.954
flat angles P-C4'-P energy: -77.357
tors. eta vs tors. theta energy: -89.100
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: 1
=====================================
Write number: 31
Temperature: 1.000000
Total energy: -960.402748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -960.402748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -960.402748 (E_RNA)
where:
Base-Base interactions energy: -534.288
where: short stacking energy: -308.893
Base-Backbone interact. energy: -1.635
local terms energy: -424.479383
where:
bonds (distance) C4'-P energy: -98.843
bonds (distance) P-C4' energy: -93.557
flat angles C4'-P-C4' energy: -97.692
flat angles P-C4'-P energy: -51.251
tors. eta vs tors. theta energy: -83.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 31
Temperature: 1.050000
Total energy: -698.117351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -698.117351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -698.117351 (E_RNA)
where:
Base-Base interactions energy: -330.171
where: short stacking energy: -255.049
Base-Backbone interact. energy: -1.643
local terms energy: -366.304048
where:
bonds (distance) C4'-P energy: -86.238
bonds (distance) P-C4' energy: -90.314
flat angles C4'-P-C4' energy: -88.793
flat angles P-C4'-P energy: -47.152
tors. eta vs tors. theta energy: -53.808
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 31
Temperature: 1.100000
Total energy: -627.704737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -627.704737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -627.704737 (E_RNA)
where:
Base-Base interactions energy: -280.612
where: short stacking energy: -210.455
Base-Backbone interact. energy: -1.830
local terms energy: -345.263169
where:
bonds (distance) C4'-P energy: -86.861
bonds (distance) P-C4' energy: -90.629
flat angles C4'-P-C4' energy: -86.686
flat angles P-C4'-P energy: -47.363
tors. eta vs tors. theta energy: -33.725
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: 10
=====================================
Write number: 31
Temperature: 1.150000
Total energy: -494.897394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.897394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.897394 (E_RNA)
where:
Base-Base interactions energy: -191.662
where: short stacking energy: -175.755
Base-Backbone interact. energy: -2.402
local terms energy: -300.832937
where:
bonds (distance) C4'-P energy: -97.694
bonds (distance) P-C4' energy: -81.624
flat angles C4'-P-C4' energy: -62.126
flat angles P-C4'-P energy: -48.809
tors. eta vs tors. theta energy: -10.580
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 31
Temperature: 1.200000
Total energy: -473.563627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -473.563627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -473.563627 (E_RNA)
where:
Base-Base interactions energy: -173.481
where: short stacking energy: -142.928
Base-Backbone interact. energy: 1.532
local terms energy: -301.614978
where:
bonds (distance) C4'-P energy: -76.467
bonds (distance) P-C4' energy: -92.471
flat angles C4'-P-C4' energy: -77.275
flat angles P-C4'-P energy: -45.967
tors. eta vs tors. theta energy: -9.436
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: 8
=====================================
Write number: 31
Temperature: 1.250000
Total energy: -435.729389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -435.729389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -435.729389 (E_RNA)
where:
Base-Base interactions energy: -170.234
where: short stacking energy: -126.354
Base-Backbone interact. energy: 0.228
local terms energy: -265.722683
where:
bonds (distance) C4'-P energy: -69.402
bonds (distance) P-C4' energy: -95.908
flat angles C4'-P-C4' energy: -62.191
flat angles P-C4'-P energy: -39.908
tors. eta vs tors. theta energy: 1.686
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: 5
=====================================
Write number: 31
Temperature: 1.300000
Total energy: -360.026738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.026738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.026738 (E_RNA)
where:
Base-Base interactions energy: -109.457
where: short stacking energy: -93.028
Base-Backbone interact. energy: 3.771
local terms energy: -254.340402
where:
bonds (distance) C4'-P energy: -73.863
bonds (distance) P-C4' energy: -78.045
flat angles C4'-P-C4' energy: -79.785
flat angles P-C4'-P energy: -54.800
tors. eta vs tors. theta energy: 32.153
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: 31
Temperature: 1.350000
Total energy: -360.964315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.964315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.964315 (E_RNA)
where:
Base-Base interactions energy: -122.753
where: short stacking energy: -118.230
Base-Backbone interact. energy: 3.435
local terms energy: -241.645864
where:
bonds (distance) C4'-P energy: -71.169
bonds (distance) P-C4' energy: -71.374
flat angles C4'-P-C4' energy: -61.818
flat angles P-C4'-P energy: -41.689
tors. eta vs tors. theta energy: 4.404
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: 32
Temperature: 0.900000
Total energy: -1141.275142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1141.275142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1141.275142 (E_RNA)
where:
Base-Base interactions energy: -675.157
where: short stacking energy: -383.254
Base-Backbone interact. energy: 0.310
local terms energy: -466.428126
where:
bonds (distance) C4'-P energy: -103.214
bonds (distance) P-C4' energy: -86.796
flat angles C4'-P-C4' energy: -104.675
flat angles P-C4'-P energy: -65.655
tors. eta vs tors. theta energy: -106.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 32
Temperature: 0.950000
Total energy: -956.529416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -956.529416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -956.529416 (E_RNA)
where:
Base-Base interactions energy: -519.578
where: short stacking energy: -339.508
Base-Backbone interact. energy: -0.892
local terms energy: -436.059493
where:
bonds (distance) C4'-P energy: -81.770
bonds (distance) P-C4' energy: -88.503
flat angles C4'-P-C4' energy: -105.426
flat angles P-C4'-P energy: -65.495
tors. eta vs tors. theta energy: -94.865
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 32
Temperature: 1.000000
Total energy: -943.788221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -943.788221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -943.788221 (E_RNA)
where:
Base-Base interactions energy: -548.708
where: short stacking energy: -313.458
Base-Backbone interact. energy: 0.474
local terms energy: -395.553925
where:
bonds (distance) C4'-P energy: -89.504
bonds (distance) P-C4' energy: -82.521
flat angles C4'-P-C4' energy: -93.887
flat angles P-C4'-P energy: -52.555
tors. eta vs tors. theta energy: -77.087
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: 4, replica: 3
=====================================
Write number: 32
Temperature: 1.050000
Total energy: -724.860286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -724.860286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -724.860286 (E_RNA)
where:
Base-Base interactions energy: -355.465
where: short stacking energy: -258.689
Base-Backbone interact. energy: -1.483
local terms energy: -367.912163
where:
bonds (distance) C4'-P energy: -78.128
bonds (distance) P-C4' energy: -84.601
flat angles C4'-P-C4' energy: -84.136
flat angles P-C4'-P energy: -56.867
tors. eta vs tors. theta energy: -64.180
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 32
Temperature: 1.100000
Total energy: -658.254864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -658.254864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -658.254864 (E_RNA)
where:
Base-Base interactions energy: -325.353
where: short stacking energy: -221.067
Base-Backbone interact. energy: -0.650
local terms energy: -332.251816
where:
bonds (distance) C4'-P energy: -89.069
bonds (distance) P-C4' energy: -75.770
flat angles C4'-P-C4' energy: -81.636
flat angles P-C4'-P energy: -57.108
tors. eta vs tors. theta energy: -28.668
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 32
Temperature: 1.150000
Total energy: -507.713866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.713866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.713866 (E_RNA)
where:
Base-Base interactions energy: -213.324
where: short stacking energy: -179.002
Base-Backbone interact. energy: 0.711
local terms energy: -295.101056
where:
bonds (distance) C4'-P energy: -83.744
bonds (distance) P-C4' energy: -83.569
flat angles C4'-P-C4' energy: -66.953
flat angles P-C4'-P energy: -39.093
tors. eta vs tors. theta energy: -21.743
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: 7, replica: 9
=====================================
Write number: 32
Temperature: 1.200000
Total energy: -461.612348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -461.612348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -461.612348 (E_RNA)
where:
Base-Base interactions energy: -161.870
where: short stacking energy: -143.611
Base-Backbone interact. energy: -1.132
local terms energy: -298.610071
where:
bonds (distance) C4'-P energy: -78.658
bonds (distance) P-C4' energy: -82.875
flat angles C4'-P-C4' energy: -80.548
flat angles P-C4'-P energy: -38.995
tors. eta vs tors. theta energy: -17.534
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: 8
=====================================
Write number: 32
Temperature: 1.250000
Total energy: -403.100534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.100534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -403.100534 (E_RNA)
where:
Base-Base interactions energy: -143.923
where: short stacking energy: -131.003
Base-Backbone interact. energy: 0.474
local terms energy: -259.651851
where:
bonds (distance) C4'-P energy: -78.356
bonds (distance) P-C4' energy: -68.817
flat angles C4'-P-C4' energy: -72.357
flat angles P-C4'-P energy: -31.723
tors. eta vs tors. theta energy: -8.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 32
Temperature: 1.300000
Total energy: -395.421681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -395.421681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -395.421681 (E_RNA)
where:
Base-Base interactions energy: -157.961
where: short stacking energy: -136.967
Base-Backbone interact. energy: 2.641
local terms energy: -240.101147
where:
bonds (distance) C4'-P energy: -72.009
bonds (distance) P-C4' energy: -93.669
flat angles C4'-P-C4' energy: -45.197
flat angles P-C4'-P energy: -37.468
tors. eta vs tors. theta energy: 8.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 32
Temperature: 1.350000
Total energy: -354.287247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.287247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.287247 (E_RNA)
where:
Base-Base interactions energy: -128.783
where: short stacking energy: -117.384
Base-Backbone interact. energy: 4.945
local terms energy: -230.449774
where:
bonds (distance) C4'-P energy: -75.533
bonds (distance) P-C4' energy: -62.933
flat angles C4'-P-C4' energy: -66.550
flat angles P-C4'-P energy: -30.851
tors. eta vs tors. theta energy: 5.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 33
Temperature: 0.900000
Total energy: -1176.157100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1176.157100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1176.157100 (E_RNA)
where:
Base-Base interactions energy: -716.719
where: short stacking energy: -403.290
Base-Backbone interact. energy: 0.651
local terms energy: -460.089153
where:
bonds (distance) C4'-P energy: -102.331
bonds (distance) P-C4' energy: -81.500
flat angles C4'-P-C4' energy: -94.987
flat angles P-C4'-P energy: -69.973
tors. eta vs tors. theta energy: -111.299
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 33
Temperature: 0.950000
Total energy: -1060.164943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1060.164943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1060.164943 (E_RNA)
where:
Base-Base interactions energy: -613.681
where: short stacking energy: -366.155
Base-Backbone interact. energy: -0.762
local terms energy: -445.722184
where:
bonds (distance) C4'-P energy: -89.413
bonds (distance) P-C4' energy: -95.335
flat angles C4'-P-C4' energy: -102.131
flat angles P-C4'-P energy: -64.025
tors. eta vs tors. theta energy: -94.819
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: 33
Temperature: 1.000000
Total energy: -887.876667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -887.876667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -887.876667 (E_RNA)
where:
Base-Base interactions energy: -493.904
where: short stacking energy: -290.719
Base-Backbone interact. energy: -1.587
local terms energy: -392.385185
where:
bonds (distance) C4'-P energy: -80.066
bonds (distance) P-C4' energy: -93.042
flat angles C4'-P-C4' energy: -92.798
flat angles P-C4'-P energy: -59.736
tors. eta vs tors. theta energy: -66.742
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 33
Temperature: 1.050000
Total energy: -731.337057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -731.337057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -731.337057 (E_RNA)
where:
Base-Base interactions energy: -361.115
where: short stacking energy: -244.064
Base-Backbone interact. energy: -0.805
local terms energy: -369.416996
where:
bonds (distance) C4'-P energy: -95.180
bonds (distance) P-C4' energy: -84.793
flat angles C4'-P-C4' energy: -86.817
flat angles P-C4'-P energy: -48.634
tors. eta vs tors. theta energy: -53.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 33
Temperature: 1.100000
Total energy: -694.602344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -694.602344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -694.602344 (E_RNA)
where:
Base-Base interactions energy: -347.650
where: short stacking energy: -216.291
Base-Backbone interact. energy: -0.522
local terms energy: -346.430296
where:
bonds (distance) C4'-P energy: -83.273
bonds (distance) P-C4' energy: -86.932
flat angles C4'-P-C4' energy: -86.298
flat angles P-C4'-P energy: -43.946
tors. eta vs tors. theta energy: -45.981
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 33
Temperature: 1.150000
Total energy: -479.282530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.282530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -479.282530 (E_RNA)
where:
Base-Base interactions energy: -177.625
where: short stacking energy: -164.240
Base-Backbone interact. energy: 3.080
local terms energy: -304.738302
where:
bonds (distance) C4'-P energy: -81.437
bonds (distance) P-C4' energy: -93.646
flat angles C4'-P-C4' energy: -74.986
flat angles P-C4'-P energy: -47.639
tors. eta vs tors. theta energy: -7.031
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 33
Temperature: 1.200000
Total energy: -434.989255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -434.989255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -434.989255 (E_RNA)
where:
Base-Base interactions energy: -140.515
where: short stacking energy: -133.922
Base-Backbone interact. energy: 0.114
local terms energy: -294.587711
where:
bonds (distance) C4'-P energy: -93.278
bonds (distance) P-C4' energy: -82.030
flat angles C4'-P-C4' energy: -71.736
flat angles P-C4'-P energy: -45.689
tors. eta vs tors. theta energy: -1.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 33
Temperature: 1.250000
Total energy: -406.839638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.839638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -406.839638 (E_RNA)
where:
Base-Base interactions energy: -136.318
where: short stacking energy: -124.671
Base-Backbone interact. energy: -2.434
local terms energy: -268.087575
where:
bonds (distance) C4'-P energy: -78.006
bonds (distance) P-C4' energy: -83.257
flat angles C4'-P-C4' energy: -64.593
flat angles P-C4'-P energy: -47.543
tors. eta vs tors. theta energy: 5.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 33
Temperature: 1.300000
Total energy: -412.626797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.626797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.626797 (E_RNA)
where:
Base-Base interactions energy: -134.076
where: short stacking energy: -130.962
Base-Backbone interact. energy: 2.033
local terms energy: -280.583738
where:
bonds (distance) C4'-P energy: -81.886
bonds (distance) P-C4' energy: -90.694
flat angles C4'-P-C4' energy: -69.890
flat angles P-C4'-P energy: -34.013
tors. eta vs tors. theta energy: -4.099
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 33
Temperature: 1.350000
Total energy: -350.909453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.909453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.909453 (E_RNA)
where:
Base-Base interactions energy: -121.518
where: short stacking energy: -113.409
Base-Backbone interact. energy: -1.604
local terms energy: -227.788241
where:
bonds (distance) C4'-P energy: -87.171
bonds (distance) P-C4' energy: -58.554
flat angles C4'-P-C4' energy: -66.632
flat angles P-C4'-P energy: -32.620
tors. eta vs tors. theta energy: 17.189
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 34
Temperature: 0.900000
Total energy: -1174.268450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1174.268450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1174.268450 (E_RNA)
where:
Base-Base interactions energy: -702.436
where: short stacking energy: -398.193
Base-Backbone interact. energy: -1.492
local terms energy: -470.341032
where:
bonds (distance) C4'-P energy: -94.652
bonds (distance) P-C4' energy: -92.319
flat angles C4'-P-C4' energy: -94.086
flat angles P-C4'-P energy: -70.523
tors. eta vs tors. theta energy: -118.761
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 34
Temperature: 0.950000
Total energy: -995.061485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -995.061485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -995.061485 (E_RNA)
where:
Base-Base interactions energy: -556.219
where: short stacking energy: -352.315
Base-Backbone interact. energy: -1.710
local terms energy: -437.132144
where:
bonds (distance) C4'-P energy: -83.713
bonds (distance) P-C4' energy: -99.082
flat angles C4'-P-C4' energy: -95.946
flat angles P-C4'-P energy: -64.176
tors. eta vs tors. theta energy: -94.215
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 34
Temperature: 1.000000
Total energy: -906.102740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -906.102740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -906.102740 (E_RNA)
where:
Base-Base interactions energy: -490.411
where: short stacking energy: -298.065
Base-Backbone interact. energy: -0.728
local terms energy: -414.963815
where:
bonds (distance) C4'-P energy: -94.421
bonds (distance) P-C4' energy: -86.340
flat angles C4'-P-C4' energy: -95.922
flat angles P-C4'-P energy: -62.753
tors. eta vs tors. theta energy: -75.527
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 34
Temperature: 1.050000
Total energy: -695.301495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -695.301495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -695.301495 (E_RNA)
where:
Base-Base interactions energy: -348.440
where: short stacking energy: -228.268
Base-Backbone interact. energy: -0.306
local terms energy: -346.555358
where:
bonds (distance) C4'-P energy: -90.540
bonds (distance) P-C4' energy: -84.787
flat angles C4'-P-C4' energy: -76.245
flat angles P-C4'-P energy: -55.440
tors. eta vs tors. theta energy: -39.544
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 34
Temperature: 1.100000
Total energy: -657.212982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -657.212982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -657.212982 (E_RNA)
where:
Base-Base interactions energy: -301.730
where: short stacking energy: -196.760
Base-Backbone interact. energy: -0.363
local terms energy: -355.120538
where:
bonds (distance) C4'-P energy: -88.187
bonds (distance) P-C4' energy: -95.615
flat angles C4'-P-C4' energy: -81.775
flat angles P-C4'-P energy: -48.730
tors. eta vs tors. theta energy: -40.814
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 34
Temperature: 1.150000
Total energy: -518.203269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.203269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.203269 (E_RNA)
where:
Base-Base interactions energy: -193.078
where: short stacking energy: -174.721
Base-Backbone interact. energy: 5.183
local terms energy: -330.308214
where:
bonds (distance) C4'-P energy: -74.838
bonds (distance) P-C4' energy: -98.966
flat angles C4'-P-C4' energy: -86.562
flat angles P-C4'-P energy: -63.104
tors. eta vs tors. theta energy: -6.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 34
Temperature: 1.200000
Total energy: -465.876421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -465.876421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -465.876421 (E_RNA)
where:
Base-Base interactions energy: -172.374
where: short stacking energy: -138.468
Base-Backbone interact. energy: 0.495
local terms energy: -293.997233
where:
bonds (distance) C4'-P energy: -86.943
bonds (distance) P-C4' energy: -89.698
flat angles C4'-P-C4' energy: -70.546
flat angles P-C4'-P energy: -44.501
tors. eta vs tors. theta energy: -2.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 34
Temperature: 1.250000
Total energy: -431.277951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -431.277951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -431.277951 (E_RNA)
where:
Base-Base interactions energy: -142.369
where: short stacking energy: -130.861
Base-Backbone interact. energy: 2.608
local terms energy: -291.516771
where:
bonds (distance) C4'-P energy: -87.087
bonds (distance) P-C4' energy: -73.037
flat angles C4'-P-C4' energy: -68.879
flat angles P-C4'-P energy: -50.428
tors. eta vs tors. theta energy: -12.086
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: 9, replica: 8
=====================================
Write number: 34
Temperature: 1.300000
Total energy: -386.485608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -386.485608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -386.485608 (E_RNA)
where:
Base-Base interactions energy: -123.767
where: short stacking energy: -105.817
Base-Backbone interact. energy: 0.628
local terms energy: -263.346933
where:
bonds (distance) C4'-P energy: -68.085
bonds (distance) P-C4' energy: -85.620
flat angles C4'-P-C4' energy: -78.957
flat angles P-C4'-P energy: -35.007
tors. eta vs tors. theta energy: 4.322
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 34
Temperature: 1.350000
Total energy: -352.258803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.258803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.258803 (E_RNA)
where:
Base-Base interactions energy: -112.058
where: short stacking energy: -89.545
Base-Backbone interact. energy: 1.217
local terms energy: -241.417460
where:
bonds (distance) C4'-P energy: -71.785
bonds (distance) P-C4' energy: -81.298
flat angles C4'-P-C4' energy: -71.955
flat angles P-C4'-P energy: -38.837
tors. eta vs tors. theta energy: 22.457
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: 35
Temperature: 0.900000
Total energy: -1178.382381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1178.382381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1178.382381 (E_RNA)
where:
Base-Base interactions energy: -702.823
where: short stacking energy: -370.818
Base-Backbone interact. energy: -0.678
local terms energy: -474.882104
where:
bonds (distance) C4'-P energy: -93.430
bonds (distance) P-C4' energy: -92.847
flat angles C4'-P-C4' energy: -107.898
flat angles P-C4'-P energy: -76.069
tors. eta vs tors. theta energy: -104.639
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: 35
Temperature: 0.950000
Total energy: -1008.198280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1008.198280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1008.198280 (E_RNA)
where:
Base-Base interactions energy: -585.214
where: short stacking energy: -333.069
Base-Backbone interact. energy: 5.078
local terms energy: -428.062658
where:
bonds (distance) C4'-P energy: -82.920
bonds (distance) P-C4' energy: -90.476
flat angles C4'-P-C4' energy: -100.268
flat angles P-C4'-P energy: -67.809
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: 3, replica: 2
=====================================
Write number: 35
Temperature: 1.000000
Total energy: -889.861301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -889.861301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -889.861301 (E_RNA)
where:
Base-Base interactions energy: -474.229
where: short stacking energy: -291.646
Base-Backbone interact. energy: -1.262
local terms energy: -414.370966
where:
bonds (distance) C4'-P energy: -94.327
bonds (distance) P-C4' energy: -101.188
flat angles C4'-P-C4' energy: -88.784
flat angles P-C4'-P energy: -58.779
tors. eta vs tors. theta energy: -71.293
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: 3
=====================================
Write number: 35
Temperature: 1.050000
Total energy: -728.260585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -728.260585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -728.260585 (E_RNA)
where:
Base-Base interactions energy: -367.121
where: short stacking energy: -272.092
Base-Backbone interact. energy: -2.127
local terms energy: -359.012309
where:
bonds (distance) C4'-P energy: -87.488
bonds (distance) P-C4' energy: -90.201
flat angles C4'-P-C4' energy: -76.988
flat angles P-C4'-P energy: -50.008
tors. eta vs tors. theta energy: -54.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 35
Temperature: 1.100000
Total energy: -660.435607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -660.435607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -660.435607 (E_RNA)
where:
Base-Base interactions energy: -331.316
where: short stacking energy: -233.877
Base-Backbone interact. energy: -0.988
local terms energy: -328.132237
where:
bonds (distance) C4'-P energy: -74.385
bonds (distance) P-C4' energy: -75.717
flat angles C4'-P-C4' energy: -91.244
flat angles P-C4'-P energy: -50.966
tors. eta vs tors. theta energy: -35.820
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 35
Temperature: 1.150000
Total energy: -510.615844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.615844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.615844 (E_RNA)
where:
Base-Base interactions energy: -190.637
where: short stacking energy: -181.023
Base-Backbone interact. energy: 1.590
local terms energy: -321.569549
where:
bonds (distance) C4'-P energy: -77.891
bonds (distance) P-C4' energy: -86.809
flat angles C4'-P-C4' energy: -84.571
flat angles P-C4'-P energy: -51.067
tors. eta vs tors. theta energy: -21.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 35
Temperature: 1.200000
Total energy: -460.351741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -460.351741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -460.351741 (E_RNA)
where:
Base-Base interactions energy: -180.570
where: short stacking energy: -136.110
Base-Backbone interact. energy: -3.053
local terms energy: -276.728178
where:
bonds (distance) C4'-P energy: -77.100
bonds (distance) P-C4' energy: -82.951
flat angles C4'-P-C4' energy: -67.359
flat angles P-C4'-P energy: -52.367
tors. eta vs tors. theta energy: 3.049
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 35
Temperature: 1.250000
Total energy: -431.389122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -431.389122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -431.389122 (E_RNA)
where:
Base-Base interactions energy: -162.719
where: short stacking energy: -151.344
Base-Backbone interact. energy: -0.032
local terms energy: -268.637720
where:
bonds (distance) C4'-P energy: -60.930
bonds (distance) P-C4' energy: -89.095
flat angles C4'-P-C4' energy: -73.861
flat angles P-C4'-P energy: -38.658
tors. eta vs tors. theta energy: -6.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 35
Temperature: 1.300000
Total energy: -383.859423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -383.859423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -383.859423 (E_RNA)
where:
Base-Base interactions energy: -148.252
where: short stacking energy: -107.635
Base-Backbone interact. energy: -0.611
local terms energy: -234.996899
where:
bonds (distance) C4'-P energy: -62.638
bonds (distance) P-C4' energy: -75.497
flat angles C4'-P-C4' energy: -74.893
flat angles P-C4'-P energy: -35.893
tors. eta vs tors. theta energy: 13.923
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: 10, replica: 5
=====================================
Write number: 35
Temperature: 1.350000
Total energy: -338.775339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.775339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.775339 (E_RNA)
where:
Base-Base interactions energy: -107.625
where: short stacking energy: -81.687
Base-Backbone interact. energy: 6.119
local terms energy: -237.269938
where:
bonds (distance) C4'-P energy: -68.537
bonds (distance) P-C4' energy: -89.670
flat angles C4'-P-C4' energy: -53.709
flat angles P-C4'-P energy: -33.606
tors. eta vs tors. theta energy: 8.252
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: 36
Temperature: 0.900000
Total energy: -1189.141857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1189.141857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1189.141857 (E_RNA)
where:
Base-Base interactions energy: -731.379
where: short stacking energy: -396.380
Base-Backbone interact. energy: 0.079
local terms energy: -457.842287
where:
bonds (distance) C4'-P energy: -77.661
bonds (distance) P-C4' energy: -85.923
flat angles C4'-P-C4' energy: -106.720
flat angles P-C4'-P energy: -65.191
tors. eta vs tors. theta energy: -122.346
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 36
Temperature: 0.950000
Total energy: -1045.698052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1045.698052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1045.698052 (E_RNA)
where:
Base-Base interactions energy: -593.762
where: short stacking energy: -352.806
Base-Backbone interact. energy: -1.215
local terms energy: -450.721261
where:
bonds (distance) C4'-P energy: -92.336
bonds (distance) P-C4' energy: -98.352
flat angles C4'-P-C4' energy: -100.381
flat angles P-C4'-P energy: -56.779
tors. eta vs tors. theta energy: -102.873
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 36
Temperature: 1.000000
Total energy: -896.599731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -896.599731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -896.599731 (E_RNA)
where:
Base-Base interactions energy: -479.021
where: short stacking energy: -308.974
Base-Backbone interact. energy: -0.389
local terms energy: -417.188796
where:
bonds (distance) C4'-P energy: -94.729
bonds (distance) P-C4' energy: -84.891
flat angles C4'-P-C4' energy: -92.672
flat angles P-C4'-P energy: -64.003
tors. eta vs tors. theta energy: -80.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 36
Temperature: 1.050000
Total energy: -740.256916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -740.256916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -740.256916 (E_RNA)
where:
Base-Base interactions energy: -351.798
where: short stacking energy: -269.906
Base-Backbone interact. energy: 0.019
local terms energy: -388.477812
where:
bonds (distance) C4'-P energy: -83.115
bonds (distance) P-C4' energy: -87.162
flat angles C4'-P-C4' energy: -103.215
flat angles P-C4'-P energy: -55.195
tors. eta vs tors. theta energy: -59.790
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 36
Temperature: 1.100000
Total energy: -596.793144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -596.793144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -596.793144 (E_RNA)
where:
Base-Base interactions energy: -268.024
where: short stacking energy: -179.676
Base-Backbone interact. energy: -0.416
local terms energy: -328.353595
where:
bonds (distance) C4'-P energy: -95.316
bonds (distance) P-C4' energy: -86.205
flat angles C4'-P-C4' energy: -74.900
flat angles P-C4'-P energy: -50.840
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: 6, replica: 10
=====================================
Write number: 36
Temperature: 1.150000
Total energy: -507.079594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.079594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.079594 (E_RNA)
where:
Base-Base interactions energy: -200.411
where: short stacking energy: -177.024
Base-Backbone interact. energy: -0.032
local terms energy: -306.636509
where:
bonds (distance) C4'-P energy: -68.356
bonds (distance) P-C4' energy: -88.550
flat angles C4'-P-C4' energy: -72.389
flat angles P-C4'-P energy: -48.164
tors. eta vs tors. theta energy: -29.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 36
Temperature: 1.200000
Total energy: -438.087016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -438.087016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -438.087016 (E_RNA)
where:
Base-Base interactions energy: -149.134
where: short stacking energy: -114.429
Base-Backbone interact. energy: -1.330
local terms energy: -287.623180
where:
bonds (distance) C4'-P energy: -89.543
bonds (distance) P-C4' energy: -78.500
flat angles C4'-P-C4' energy: -75.433
flat angles P-C4'-P energy: -39.498
tors. eta vs tors. theta energy: -4.649
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 36
Temperature: 1.250000
Total energy: -415.996714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -415.996714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -415.996714 (E_RNA)
where:
Base-Base interactions energy: -141.492
where: short stacking energy: -117.605
Base-Backbone interact. energy: -1.683
local terms energy: -272.821789
where:
bonds (distance) C4'-P energy: -84.488
bonds (distance) P-C4' energy: -71.614
flat angles C4'-P-C4' energy: -66.335
flat angles P-C4'-P energy: -47.021
tors. eta vs tors. theta energy: -3.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 36
Temperature: 1.300000
Total energy: -380.813348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -380.813348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -380.813348 (E_RNA)
where:
Base-Base interactions energy: -130.831
where: short stacking energy: -117.474
Base-Backbone interact. energy: 2.350
local terms energy: -252.332989
where:
bonds (distance) C4'-P energy: -78.523
bonds (distance) P-C4' energy: -87.618
flat angles C4'-P-C4' energy: -61.896
flat angles P-C4'-P energy: -42.393
tors. eta vs tors. theta energy: 18.097
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: 5
=====================================
Write number: 36
Temperature: 1.350000
Total energy: -391.426284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.426284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -391.426284 (E_RNA)
where:
Base-Base interactions energy: -136.484
where: short stacking energy: -101.192
Base-Backbone interact. energy: -0.303
local terms energy: -254.639076
where:
bonds (distance) C4'-P energy: -83.721
bonds (distance) P-C4' energy: -71.686
flat angles C4'-P-C4' energy: -63.296
flat angles P-C4'-P energy: -37.982
tors. eta vs tors. theta energy: 2.046
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 37
Temperature: 0.900000
Total energy: -1164.382738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1164.382738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1164.382738 (E_RNA)
where:
Base-Base interactions energy: -716.734
where: short stacking energy: -403.348
Base-Backbone interact. energy: -1.571
local terms energy: -446.077855
where:
bonds (distance) C4'-P energy: -91.933
bonds (distance) P-C4' energy: -81.867
flat angles C4'-P-C4' energy: -98.441
flat angles P-C4'-P energy: -69.692
tors. eta vs tors. theta energy: -104.144
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 37
Temperature: 0.950000
Total energy: -1090.693394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1090.693394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1090.693394 (E_RNA)
where:
Base-Base interactions energy: -623.362
where: short stacking energy: -343.476
Base-Backbone interact. energy: -2.315
local terms energy: -465.016509
where:
bonds (distance) C4'-P energy: -96.030
bonds (distance) P-C4' energy: -95.067
flat angles C4'-P-C4' energy: -88.517
flat angles P-C4'-P energy: -79.957
tors. eta vs tors. theta energy: -105.446
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: 2
=====================================
Write number: 37
Temperature: 1.000000
Total energy: -922.175569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -922.175569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -922.175569 (E_RNA)
where:
Base-Base interactions energy: -524.712
where: short stacking energy: -315.619
Base-Backbone interact. energy: -0.816
local terms energy: -396.647754
where:
bonds (distance) C4'-P energy: -82.500
bonds (distance) P-C4' energy: -87.426
flat angles C4'-P-C4' energy: -93.236
flat angles P-C4'-P energy: -56.979
tors. eta vs tors. theta energy: -76.507
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: 37
Temperature: 1.050000
Total energy: -752.664418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -752.664418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -752.664418 (E_RNA)
where:
Base-Base interactions energy: -378.097
where: short stacking energy: -268.132
Base-Backbone interact. energy: 2.008
local terms energy: -376.575398
where:
bonds (distance) C4'-P energy: -79.934
bonds (distance) P-C4' energy: -85.934
flat angles C4'-P-C4' energy: -90.311
flat angles P-C4'-P energy: -52.392
tors. eta vs tors. theta energy: -68.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 37
Temperature: 1.100000
Total energy: -615.854361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -615.854361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -615.854361 (E_RNA)
where:
Base-Base interactions energy: -271.385
where: short stacking energy: -221.642
Base-Backbone interact. energy: 1.458
local terms energy: -345.927939
where:
bonds (distance) C4'-P energy: -75.776
bonds (distance) P-C4' energy: -88.994
flat angles C4'-P-C4' energy: -73.755
flat angles P-C4'-P energy: -66.174
tors. eta vs tors. theta energy: -41.229
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: 10
=====================================
Write number: 37
Temperature: 1.150000
Total energy: -472.933573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -472.933573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.933573 (E_RNA)
where:
Base-Base interactions energy: -168.925
where: short stacking energy: -144.815
Base-Backbone interact. energy: -0.622
local terms energy: -303.386718
where:
bonds (distance) C4'-P energy: -95.509
bonds (distance) P-C4' energy: -88.760
flat angles C4'-P-C4' energy: -73.873
flat angles P-C4'-P energy: -31.042
tors. eta vs tors. theta energy: -14.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 37
Temperature: 1.200000
Total energy: -439.782552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -439.782552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -439.782552 (E_RNA)
where:
Base-Base interactions energy: -161.356
where: short stacking energy: -146.352
Base-Backbone interact. energy: 0.690
local terms energy: -279.117136
where:
bonds (distance) C4'-P energy: -77.295
bonds (distance) P-C4' energy: -96.221
flat angles C4'-P-C4' energy: -54.621
flat angles P-C4'-P energy: -49.507
tors. eta vs tors. theta energy: -1.473
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 37
Temperature: 1.250000
Total energy: -432.128083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -432.128083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -432.128083 (E_RNA)
where:
Base-Base interactions energy: -145.583
where: short stacking energy: -120.557
Base-Backbone interact. energy: 2.233
local terms energy: -288.777883
where:
bonds (distance) C4'-P energy: -87.840
bonds (distance) P-C4' energy: -86.696
flat angles C4'-P-C4' energy: -74.358
flat angles P-C4'-P energy: -34.103
tors. eta vs tors. theta energy: -5.781
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: 9
=====================================
Write number: 37
Temperature: 1.300000
Total energy: -424.890457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -424.890457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -424.890457 (E_RNA)
where:
Base-Base interactions energy: -158.332
where: short stacking energy: -116.132
Base-Backbone interact. energy: 5.957
local terms energy: -272.515580
where:
bonds (distance) C4'-P energy: -82.158
bonds (distance) P-C4' energy: -83.008
flat angles C4'-P-C4' energy: -82.690
flat angles P-C4'-P energy: -27.638
tors. eta vs tors. theta energy: 2.979
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: 10, replica: 5
=====================================
Write number: 37
Temperature: 1.350000
Total energy: -346.327078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.327078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.327078 (E_RNA)
where:
Base-Base interactions energy: -102.193
where: short stacking energy: -85.237
Base-Backbone interact. energy: -0.730
local terms energy: -243.404656
where:
bonds (distance) C4'-P energy: -74.030
bonds (distance) P-C4' energy: -75.651
flat angles C4'-P-C4' energy: -64.013
flat angles P-C4'-P energy: -42.000
tors. eta vs tors. theta energy: 12.290
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 38
Temperature: 0.900000
Total energy: -1138.158825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1138.158825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1138.158825 (E_RNA)
where:
Base-Base interactions energy: -672.374
where: short stacking energy: -397.394
Base-Backbone interact. energy: -2.369
local terms energy: -463.416422
where:
bonds (distance) C4'-P energy: -91.335
bonds (distance) P-C4' energy: -93.176
flat angles C4'-P-C4' energy: -108.488
flat angles P-C4'-P energy: -58.126
tors. eta vs tors. theta energy: -112.293
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: 4
=====================================
Write number: 38
Temperature: 0.950000
Total energy: -1151.932083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1151.932083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1151.932083 (E_RNA)
where:
Base-Base interactions energy: -690.893
where: short stacking energy: -390.752
Base-Backbone interact. energy: -1.116
local terms energy: -459.923288
where:
bonds (distance) C4'-P energy: -85.126
bonds (distance) P-C4' energy: -86.415
flat angles C4'-P-C4' energy: -108.983
flat angles P-C4'-P energy: -64.078
tors. eta vs tors. theta energy: -115.321
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: 2
=====================================
Write number: 38
Temperature: 1.000000
Total energy: -925.016828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -925.016828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -925.016828 (E_RNA)
where:
Base-Base interactions energy: -520.205
where: short stacking energy: -332.821
Base-Backbone interact. energy: -0.604
local terms energy: -404.207830
where:
bonds (distance) C4'-P energy: -83.376
bonds (distance) P-C4' energy: -86.490
flat angles C4'-P-C4' energy: -100.454
flat angles P-C4'-P energy: -51.851
tors. eta vs tors. theta energy: -82.037
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: 3
=====================================
Write number: 38
Temperature: 1.050000
Total energy: -791.419793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -791.419793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -791.419793 (E_RNA)
where:
Base-Base interactions energy: -426.546
where: short stacking energy: -277.758
Base-Backbone interact. energy: -1.261
local terms energy: -363.613359
where:
bonds (distance) C4'-P energy: -89.365
bonds (distance) P-C4' energy: -73.933
flat angles C4'-P-C4' energy: -87.847
flat angles P-C4'-P energy: -48.062
tors. eta vs tors. theta energy: -64.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 38
Temperature: 1.100000
Total energy: -637.781451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -637.781451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -637.781451 (E_RNA)
where:
Base-Base interactions energy: -292.753
where: short stacking energy: -210.264
Base-Backbone interact. energy: -1.717
local terms energy: -343.311218
where:
bonds (distance) C4'-P energy: -93.582
bonds (distance) P-C4' energy: -96.438
flat angles C4'-P-C4' energy: -69.643
flat angles P-C4'-P energy: -42.306
tors. eta vs tors. theta energy: -41.342
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: 10
=====================================
Write number: 38
Temperature: 1.150000
Total energy: -520.033628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.033628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.033628 (E_RNA)
where:
Base-Base interactions energy: -196.494
where: short stacking energy: -136.119
Base-Backbone interact. energy: -1.728
local terms energy: -321.811238
where:
bonds (distance) C4'-P energy: -93.348
bonds (distance) P-C4' energy: -93.692
flat angles C4'-P-C4' energy: -80.107
flat angles P-C4'-P energy: -55.971
tors. eta vs tors. theta energy: 1.306
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: 38
Temperature: 1.200000
Total energy: -427.569294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -427.569294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -427.569294 (E_RNA)
where:
Base-Base interactions energy: -142.836
where: short stacking energy: -124.228
Base-Backbone interact. energy: 2.974
local terms energy: -287.707488
where:
bonds (distance) C4'-P energy: -73.008
bonds (distance) P-C4' energy: -93.313
flat angles C4'-P-C4' energy: -84.736
flat angles P-C4'-P energy: -37.775
tors. eta vs tors. theta energy: 1.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 38
Temperature: 1.250000
Total energy: -422.944090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -422.944090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -422.944090 (E_RNA)
where:
Base-Base interactions energy: -142.747
where: short stacking energy: -132.128
Base-Backbone interact. energy: 2.712
local terms energy: -282.909167
where:
bonds (distance) C4'-P energy: -87.351
bonds (distance) P-C4' energy: -78.164
flat angles C4'-P-C4' energy: -65.920
flat angles P-C4'-P energy: -39.524
tors. eta vs tors. theta energy: -11.951
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 38
Temperature: 1.300000
Total energy: -471.724679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -471.724679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -471.724679 (E_RNA)
where:
Base-Base interactions energy: -205.567
where: short stacking energy: -130.997
Base-Backbone interact. energy: 0.916
local terms energy: -267.073788
where:
bonds (distance) C4'-P energy: -79.453
bonds (distance) P-C4' energy: -96.565
flat angles C4'-P-C4' energy: -67.925
flat angles P-C4'-P energy: -20.846
tors. eta vs tors. theta energy: -2.284
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: 5
=====================================
Write number: 38
Temperature: 1.350000
Total energy: -354.190303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.190303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.190303 (E_RNA)
where:
Base-Base interactions energy: -106.222
where: short stacking energy: -89.664
Base-Backbone interact. energy: -2.305
local terms energy: -245.663253
where:
bonds (distance) C4'-P energy: -75.930
bonds (distance) P-C4' energy: -71.871
flat angles C4'-P-C4' energy: -68.187
flat angles P-C4'-P energy: -52.379
tors. eta vs tors. theta energy: 22.704
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 39
Temperature: 0.900000
Total energy: -1118.864632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1118.864632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1118.864632 (E_RNA)
where:
Base-Base interactions energy: -663.764
where: short stacking energy: -366.761
Base-Backbone interact. energy: -2.610
local terms energy: -452.491149
where:
bonds (distance) C4'-P energy: -78.657
bonds (distance) P-C4' energy: -95.225
flat angles C4'-P-C4' energy: -103.813
flat angles P-C4'-P energy: -75.447
tors. eta vs tors. theta energy: -99.350
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: 2, replica: 4
=====================================
Write number: 39
Temperature: 0.950000
Total energy: -1102.539351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1102.539351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1102.539351 (E_RNA)
where:
Base-Base interactions energy: -625.753
where: short stacking energy: -368.140
Base-Backbone interact. energy: -2.436
local terms energy: -474.350307
where:
bonds (distance) C4'-P energy: -96.711
bonds (distance) P-C4' energy: -99.912
flat angles C4'-P-C4' energy: -99.346
flat angles P-C4'-P energy: -66.133
tors. eta vs tors. theta energy: -112.248
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 39
Temperature: 1.000000
Total energy: -874.664263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -874.664263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -874.664263 (E_RNA)
where:
Base-Base interactions energy: -488.205
where: short stacking energy: -309.163
Base-Backbone interact. energy: 0.568
local terms energy: -387.027616
where:
bonds (distance) C4'-P energy: -83.766
bonds (distance) P-C4' energy: -85.247
flat angles C4'-P-C4' energy: -92.914
flat angles P-C4'-P energy: -60.824
tors. eta vs tors. theta energy: -64.277
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: 3
=====================================
Write number: 39
Temperature: 1.050000
Total energy: -796.274265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -796.274265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -796.274265 (E_RNA)
where:
Base-Base interactions energy: -433.527
where: short stacking energy: -268.479
Base-Backbone interact. energy: 2.684
local terms energy: -365.431442
where:
bonds (distance) C4'-P energy: -82.784
bonds (distance) P-C4' energy: -95.489
flat angles C4'-P-C4' energy: -91.406
flat angles P-C4'-P energy: -54.909
tors. eta vs tors. theta energy: -40.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 39
Temperature: 1.100000
Total energy: -634.678268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -634.678268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -634.678268 (E_RNA)
where:
Base-Base interactions energy: -304.317
where: short stacking energy: -219.224
Base-Backbone interact. energy: 1.625
local terms energy: -331.986470
where:
bonds (distance) C4'-P energy: -76.456
bonds (distance) P-C4' energy: -84.166
flat angles C4'-P-C4' energy: -85.566
flat angles P-C4'-P energy: -44.172
tors. eta vs tors. theta energy: -41.626
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 39
Temperature: 1.150000
Total energy: -530.929988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.929988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.929988 (E_RNA)
where:
Base-Base interactions energy: -226.446
where: short stacking energy: -139.843
Base-Backbone interact. energy: 0.750
local terms energy: -305.233432
where:
bonds (distance) C4'-P energy: -79.590
bonds (distance) P-C4' energy: -76.493
flat angles C4'-P-C4' energy: -86.600
flat angles P-C4'-P energy: -65.949
tors. eta vs tors. theta energy: 3.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 39
Temperature: 1.200000
Total energy: -471.666572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -471.666572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -471.666572 (E_RNA)
where:
Base-Base interactions energy: -173.594
where: short stacking energy: -141.311
Base-Backbone interact. energy: 1.202
local terms energy: -299.274327
where:
bonds (distance) C4'-P energy: -88.608
bonds (distance) P-C4' energy: -91.157
flat angles C4'-P-C4' energy: -68.285
flat angles P-C4'-P energy: -52.688
tors. eta vs tors. theta energy: 1.464
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 39
Temperature: 1.250000
Total energy: -442.579780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -442.579780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -442.579780 (E_RNA)
where:
Base-Base interactions energy: -163.569
where: short stacking energy: -124.826
Base-Backbone interact. energy: -1.765
local terms energy: -277.246158
where:
bonds (distance) C4'-P energy: -67.890
bonds (distance) P-C4' energy: -99.928
flat angles C4'-P-C4' energy: -63.485
flat angles P-C4'-P energy: -40.258
tors. eta vs tors. theta energy: -5.686
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: 39
Temperature: 1.300000
Total energy: -403.406554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.406554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -403.406554 (E_RNA)
where:
Base-Base interactions energy: -133.251
where: short stacking energy: -120.695
Base-Backbone interact. energy: -2.033
local terms energy: -268.121746
where:
bonds (distance) C4'-P energy: -63.105
bonds (distance) P-C4' energy: -78.754
flat angles C4'-P-C4' energy: -65.347
flat angles P-C4'-P energy: -47.744
tors. eta vs tors. theta energy: -13.171
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 39
Temperature: 1.350000
Total energy: -361.908590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.908590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.908590 (E_RNA)
where:
Base-Base interactions energy: -122.108
where: short stacking energy: -85.674
Base-Backbone interact. energy: 0.043
local terms energy: -239.842762
where:
bonds (distance) C4'-P energy: -82.958
bonds (distance) P-C4' energy: -77.064
flat angles C4'-P-C4' energy: -65.596
flat angles P-C4'-P energy: -24.923
tors. eta vs tors. theta energy: 10.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 40
Temperature: 0.900000
Total energy: -1139.144081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1139.144081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1139.144081 (E_RNA)
where:
Base-Base interactions energy: -672.328
where: short stacking energy: -385.355
Base-Backbone interact. energy: -1.464
local terms energy: -465.351988
where:
bonds (distance) C4'-P energy: -88.542
bonds (distance) P-C4' energy: -97.872
flat angles C4'-P-C4' energy: -104.241
flat angles P-C4'-P energy: -70.165
tors. eta vs tors. theta energy: -104.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 40
Temperature: 0.950000
Total energy: -1110.843848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1110.843848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1110.843848 (E_RNA)
where:
Base-Base interactions energy: -652.102
where: short stacking energy: -361.102
Base-Backbone interact. energy: -0.605
local terms energy: -458.136849
where:
bonds (distance) C4'-P energy: -90.993
bonds (distance) P-C4' energy: -83.666
flat angles C4'-P-C4' energy: -110.790
flat angles P-C4'-P energy: -64.888
tors. eta vs tors. theta energy: -107.800
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 40
Temperature: 1.000000
Total energy: -859.221196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -859.221196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -859.221196 (E_RNA)
where:
Base-Base interactions energy: -441.097
where: short stacking energy: -287.138
Base-Backbone interact. energy: -2.577
local terms energy: -415.547198
where:
bonds (distance) C4'-P energy: -81.135
bonds (distance) P-C4' energy: -101.718
flat angles C4'-P-C4' energy: -101.891
flat angles P-C4'-P energy: -64.625
tors. eta vs tors. theta energy: -66.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 40
Temperature: 1.050000
Total energy: -764.002142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -764.002142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -764.002142 (E_RNA)
where:
Base-Base interactions energy: -367.884
where: short stacking energy: -240.299
Base-Backbone interact. energy: -0.702
local terms energy: -395.415976
where:
bonds (distance) C4'-P energy: -83.081
bonds (distance) P-C4' energy: -83.930
flat angles C4'-P-C4' energy: -88.792
flat angles P-C4'-P energy: -66.211
tors. eta vs tors. theta energy: -73.401
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 40
Temperature: 1.100000
Total energy: -657.647089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -657.647089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -657.647089 (E_RNA)
where:
Base-Base interactions energy: -311.724
where: short stacking energy: -231.015
Base-Backbone interact. energy: -0.188
local terms energy: -345.734734
where:
bonds (distance) C4'-P energy: -79.946
bonds (distance) P-C4' energy: -89.536
flat angles C4'-P-C4' energy: -75.454
flat angles P-C4'-P energy: -49.606
tors. eta vs tors. theta energy: -51.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 40
Temperature: 1.150000
Total energy: -553.999260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -553.999260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -553.999260 (E_RNA)
where:
Base-Base interactions energy: -244.352
where: short stacking energy: -169.221
Base-Backbone interact. energy: -1.053
local terms energy: -308.594943
where:
bonds (distance) C4'-P energy: -75.337
bonds (distance) P-C4' energy: -91.095
flat angles C4'-P-C4' energy: -74.727
flat angles P-C4'-P energy: -54.068
tors. eta vs tors. theta energy: -13.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 40
Temperature: 1.200000
Total energy: -460.384890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -460.384890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -460.384890 (E_RNA)
where:
Base-Base interactions energy: -182.653
where: short stacking energy: -142.443
Base-Backbone interact. energy: 0.001
local terms energy: -277.732575
where:
bonds (distance) C4'-P energy: -68.728
bonds (distance) P-C4' energy: -89.041
flat angles C4'-P-C4' energy: -70.445
flat angles P-C4'-P energy: -43.441
tors. eta vs tors. theta energy: -6.078
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: 40
Temperature: 1.250000
Total energy: -406.769452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.769452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -406.769452 (E_RNA)
where:
Base-Base interactions energy: -131.665
where: short stacking energy: -125.386
Base-Backbone interact. energy: 3.543
local terms energy: -278.648034
where:
bonds (distance) C4'-P energy: -76.294
bonds (distance) P-C4' energy: -74.715
flat angles C4'-P-C4' energy: -83.251
flat angles P-C4'-P energy: -40.339
tors. eta vs tors. theta energy: -4.049
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 40
Temperature: 1.300000
Total energy: -376.819776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -376.819776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -376.819776 (E_RNA)
where:
Base-Base interactions energy: -132.640
where: short stacking energy: -120.376
Base-Backbone interact. energy: -1.246
local terms energy: -242.933241
where:
bonds (distance) C4'-P energy: -69.410
bonds (distance) P-C4' energy: -86.124
flat angles C4'-P-C4' energy: -54.788
flat angles P-C4'-P energy: -48.911
tors. eta vs tors. theta energy: 16.299
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 40
Temperature: 1.350000
Total energy: -369.502135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.502135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.502135 (E_RNA)
where:
Base-Base interactions energy: -122.321
where: short stacking energy: -87.298
Base-Backbone interact. energy: 1.588
local terms energy: -248.768908
where:
bonds (distance) C4'-P energy: -79.233
bonds (distance) P-C4' energy: -83.150
flat angles C4'-P-C4' energy: -68.230
flat angles P-C4'-P energy: -27.095
tors. eta vs tors. theta energy: 8.939
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: 1
=====================================
Write number: 41
Temperature: 0.900000
Total energy: -1138.645408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1138.645408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1138.645408 (E_RNA)
where:
Base-Base interactions energy: -674.179
where: short stacking energy: -391.226
Base-Backbone interact. energy: -0.436
local terms energy: -464.030685
where:
bonds (distance) C4'-P energy: -92.585
bonds (distance) P-C4' energy: -95.649
flat angles C4'-P-C4' energy: -103.965
flat angles P-C4'-P energy: -67.272
tors. eta vs tors. theta energy: -104.560
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 41
Temperature: 0.950000
Total energy: -1064.823846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1064.823846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1064.823846 (E_RNA)
where:
Base-Base interactions energy: -625.947
where: short stacking energy: -344.710
Base-Backbone interact. energy: 3.382
local terms energy: -442.258207
where:
bonds (distance) C4'-P energy: -92.739
bonds (distance) P-C4' energy: -91.765
flat angles C4'-P-C4' energy: -102.376
flat angles P-C4'-P energy: -58.509
tors. eta vs tors. theta energy: -96.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 41
Temperature: 1.000000
Total energy: -845.425496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -845.425496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -845.425496 (E_RNA)
where:
Base-Base interactions energy: -459.666
where: short stacking energy: -293.311
Base-Backbone interact. energy: -1.062
local terms energy: -384.697418
where:
bonds (distance) C4'-P energy: -88.548
bonds (distance) P-C4' energy: -86.611
flat angles C4'-P-C4' energy: -90.459
flat angles P-C4'-P energy: -54.672
tors. eta vs tors. theta energy: -64.407
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: 3
=====================================
Write number: 41
Temperature: 1.050000
Total energy: -790.564954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -790.564954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -790.564954 (E_RNA)
where:
Base-Base interactions energy: -402.861
where: short stacking energy: -286.697
Base-Backbone interact. energy: 3.857
local terms energy: -391.560734
where:
bonds (distance) C4'-P energy: -91.874
bonds (distance) P-C4' energy: -88.214
flat angles C4'-P-C4' energy: -90.807
flat angles P-C4'-P energy: -53.927
tors. eta vs tors. theta energy: -66.740
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 41
Temperature: 1.100000
Total energy: -614.669789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -614.669789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -614.669789 (E_RNA)
where:
Base-Base interactions energy: -284.672
where: short stacking energy: -214.062
Base-Backbone interact. energy: 2.631
local terms energy: -332.628613
where:
bonds (distance) C4'-P energy: -78.368
bonds (distance) P-C4' energy: -96.132
flat angles C4'-P-C4' energy: -68.674
flat angles P-C4'-P energy: -56.354
tors. eta vs tors. theta energy: -33.100
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: 10
=====================================
Write number: 41
Temperature: 1.150000
Total energy: -524.096269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.096269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.096269 (E_RNA)
where:
Base-Base interactions energy: -226.103
where: short stacking energy: -168.023
Base-Backbone interact. energy: -0.649
local terms energy: -297.344296
where:
bonds (distance) C4'-P energy: -74.106
bonds (distance) P-C4' energy: -85.578
flat angles C4'-P-C4' energy: -77.635
flat angles P-C4'-P energy: -47.452
tors. eta vs tors. theta energy: -12.574
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: 7, replica: 9
=====================================
Write number: 41
Temperature: 1.200000
Total energy: -484.284792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -484.284792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -484.284792 (E_RNA)
where:
Base-Base interactions energy: -177.210
where: short stacking energy: -145.282
Base-Backbone interact. energy: 0.409
local terms energy: -307.483267
where:
bonds (distance) C4'-P energy: -84.884
bonds (distance) P-C4' energy: -85.116
flat angles C4'-P-C4' energy: -73.034
flat angles P-C4'-P energy: -50.266
tors. eta vs tors. theta energy: -14.183
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 41
Temperature: 1.250000
Total energy: -440.787611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -440.787611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -440.787611 (E_RNA)
where:
Base-Base interactions energy: -151.493
where: short stacking energy: -143.493
Base-Backbone interact. energy: 1.896
local terms energy: -291.190454
where:
bonds (distance) C4'-P energy: -84.610
bonds (distance) P-C4' energy: -89.825
flat angles C4'-P-C4' energy: -69.871
flat angles P-C4'-P energy: -54.793
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: 9, replica: 5
=====================================
Write number: 41
Temperature: 1.300000
Total energy: -381.496392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -381.496392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -381.496392 (E_RNA)
where:
Base-Base interactions energy: -98.323
where: short stacking energy: -97.623
Base-Backbone interact. energy: -1.156
local terms energy: -282.017698
where:
bonds (distance) C4'-P energy: -79.619
bonds (distance) P-C4' energy: -101.141
flat angles C4'-P-C4' energy: -67.142
flat angles P-C4'-P energy: -49.595
tors. eta vs tors. theta energy: 15.479
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: 8
=====================================
Write number: 41
Temperature: 1.350000
Total energy: -372.998000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -372.998000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -372.998000 (E_RNA)
where:
Base-Base interactions energy: -134.172
where: short stacking energy: -99.068
Base-Backbone interact. energy: -2.042
local terms energy: -236.784001
where:
bonds (distance) C4'-P energy: -69.697
bonds (distance) P-C4' energy: -68.222
flat angles C4'-P-C4' energy: -70.838
flat angles P-C4'-P energy: -41.479
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: 1, replica: 1
=====================================
Write number: 42
Temperature: 0.900000
Total energy: -1164.288375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1164.288375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1164.288375 (E_RNA)
where:
Base-Base interactions energy: -700.282
where: short stacking energy: -397.123
Base-Backbone interact. energy: 1.229
local terms energy: -465.235526
where:
bonds (distance) C4'-P energy: -97.950
bonds (distance) P-C4' energy: -94.219
flat angles C4'-P-C4' energy: -106.083
flat angles P-C4'-P energy: -64.172
tors. eta vs tors. theta energy: -102.811
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 42
Temperature: 0.950000
Total energy: -1092.764643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1092.764643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1092.764643 (E_RNA)
where:
Base-Base interactions energy: -625.367
where: short stacking energy: -375.146
Base-Backbone interact. energy: -2.607
local terms energy: -464.790466
where:
bonds (distance) C4'-P energy: -97.325
bonds (distance) P-C4' energy: -93.390
flat angles C4'-P-C4' energy: -95.603
flat angles P-C4'-P energy: -66.328
tors. eta vs tors. theta energy: -112.145
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: 3, replica: 2
=====================================
Write number: 42
Temperature: 1.000000
Total energy: -870.775465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -870.775465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -870.775465 (E_RNA)
where:
Base-Base interactions energy: -480.490
where: short stacking energy: -319.337
Base-Backbone interact. energy: -1.396
local terms energy: -388.889996
where:
bonds (distance) C4'-P energy: -73.303
bonds (distance) P-C4' energy: -88.952
flat angles C4'-P-C4' energy: -83.925
flat angles P-C4'-P energy: -61.759
tors. eta vs tors. theta energy: -80.952
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 42
Temperature: 1.050000
Total energy: -800.714087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -800.714087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -800.714087 (E_RNA)
where:
Base-Base interactions energy: -435.046
where: short stacking energy: -286.868
Base-Backbone interact. energy: -0.471
local terms energy: -365.197154
where:
bonds (distance) C4'-P energy: -81.102
bonds (distance) P-C4' energy: -80.914
flat angles C4'-P-C4' energy: -83.875
flat angles P-C4'-P energy: -47.594
tors. eta vs tors. theta energy: -71.712
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: 42
Temperature: 1.100000
Total energy: -637.300208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -637.300208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -637.300208 (E_RNA)
where:
Base-Base interactions energy: -280.372
where: short stacking energy: -190.413
Base-Backbone interact. energy: 0.812
local terms energy: -357.740309
where:
bonds (distance) C4'-P energy: -71.350
bonds (distance) P-C4' energy: -93.757
flat angles C4'-P-C4' energy: -87.962
flat angles P-C4'-P energy: -64.354
tors. eta vs tors. theta energy: -40.317
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: 10
=====================================
Write number: 42
Temperature: 1.150000
Total energy: -586.863589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -586.863589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -586.863589 (E_RNA)
where:
Base-Base interactions energy: -229.582
where: short stacking energy: -181.354
Base-Backbone interact. energy: -1.693
local terms energy: -355.587996
where:
bonds (distance) C4'-P energy: -92.330
bonds (distance) P-C4' energy: -87.278
flat angles C4'-P-C4' energy: -84.503
flat angles P-C4'-P energy: -56.290
tors. eta vs tors. theta energy: -35.186
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: 9
=====================================
Write number: 42
Temperature: 1.200000
Total energy: -431.527485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -431.527485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -431.527485 (E_RNA)
where:
Base-Base interactions energy: -138.405
where: short stacking energy: -131.712
Base-Backbone interact. energy: 0.303
local terms energy: -293.426146
where:
bonds (distance) C4'-P energy: -87.015
bonds (distance) P-C4' energy: -87.146
flat angles C4'-P-C4' energy: -57.872
flat angles P-C4'-P energy: -45.530
tors. eta vs tors. theta energy: -15.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 42
Temperature: 1.250000
Total energy: -395.450076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -395.450076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -395.450076 (E_RNA)
where:
Base-Base interactions energy: -141.149
where: short stacking energy: -136.719
Base-Backbone interact. energy: 3.454
local terms energy: -257.755029
where:
bonds (distance) C4'-P energy: -77.221
bonds (distance) P-C4' energy: -81.044
flat angles C4'-P-C4' energy: -63.298
flat angles P-C4'-P energy: -41.209
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: 8
=====================================
Write number: 42
Temperature: 1.300000
Total energy: -407.229363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.229363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -407.229363 (E_RNA)
where:
Base-Base interactions energy: -139.153
where: short stacking energy: -101.422
Base-Backbone interact. energy: 1.263
local terms energy: -269.339385
where:
bonds (distance) C4'-P energy: -77.623
bonds (distance) P-C4' energy: -91.993
flat angles C4'-P-C4' energy: -50.007
flat angles P-C4'-P energy: -51.392
tors. eta vs tors. theta energy: 1.676
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: 5
=====================================
Write number: 42
Temperature: 1.350000
Total energy: -357.743331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.743331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.743331 (E_RNA)
where:
Base-Base interactions energy: -103.572
where: short stacking energy: -84.361
Base-Backbone interact. energy: -2.314
local terms energy: -251.858105
where:
bonds (distance) C4'-P energy: -77.111
bonds (distance) P-C4' energy: -81.507
flat angles C4'-P-C4' energy: -65.133
flat angles P-C4'-P energy: -42.347
tors. eta vs tors. theta energy: 14.240
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 43
Temperature: 0.900000
Total energy: -1199.362350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1199.362350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1199.362350 (E_RNA)
where:
Base-Base interactions energy: -725.738
where: short stacking energy: -411.221
Base-Backbone interact. energy: -0.813
local terms energy: -472.811001
where:
bonds (distance) C4'-P energy: -86.490
bonds (distance) P-C4' energy: -89.518
flat angles C4'-P-C4' energy: -106.825
flat angles P-C4'-P energy: -79.523
tors. eta vs tors. theta energy: -110.455
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: 2, replica: 4
=====================================
Write number: 43
Temperature: 0.950000
Total energy: -1092.291677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1092.291677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1092.291677 (E_RNA)
where:
Base-Base interactions energy: -624.757
where: short stacking energy: -351.896
Base-Backbone interact. energy: -1.480
local terms energy: -466.054618
where:
bonds (distance) C4'-P energy: -96.133
bonds (distance) P-C4' energy: -94.348
flat angles C4'-P-C4' energy: -109.441
flat angles P-C4'-P energy: -66.650
tors. eta vs tors. theta energy: -99.482
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: 2
=====================================
Write number: 43
Temperature: 1.000000
Total energy: -874.547210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -874.547210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -874.547210 (E_RNA)
where:
Base-Base interactions energy: -485.571
where: short stacking energy: -295.581
Base-Backbone interact. energy: 0.660
local terms energy: -389.636249
where:
bonds (distance) C4'-P energy: -77.345
bonds (distance) P-C4' energy: -86.952
flat angles C4'-P-C4' energy: -87.437
flat angles P-C4'-P energy: -66.549
tors. eta vs tors. theta energy: -71.353
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: 3
=====================================
Write number: 43
Temperature: 1.050000
Total energy: -817.447457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -817.447457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -817.447457 (E_RNA)
where:
Base-Base interactions energy: -413.787
where: short stacking energy: -263.251
Base-Backbone interact. energy: 0.557
local terms energy: -404.217724
where:
bonds (distance) C4'-P energy: -85.085
bonds (distance) P-C4' energy: -92.433
flat angles C4'-P-C4' energy: -98.201
flat angles P-C4'-P energy: -56.533
tors. eta vs tors. theta energy: -71.966
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 43
Temperature: 1.100000
Total energy: -663.721207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -663.721207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -663.721207 (E_RNA)
where:
Base-Base interactions energy: -308.826
where: short stacking energy: -223.897
Base-Backbone interact. energy: -1.487
local terms energy: -353.408739
where:
bonds (distance) C4'-P energy: -83.517
bonds (distance) P-C4' energy: -94.531
flat angles C4'-P-C4' energy: -74.041
flat angles P-C4'-P energy: -41.488
tors. eta vs tors. theta energy: -59.832
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 43
Temperature: 1.150000
Total energy: -541.396917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.396917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.396917 (E_RNA)
where:
Base-Base interactions energy: -219.381
where: short stacking energy: -165.241
Base-Backbone interact. energy: -1.522
local terms energy: -320.493402
where:
bonds (distance) C4'-P energy: -87.994
bonds (distance) P-C4' energy: -87.466
flat angles C4'-P-C4' energy: -74.123
flat angles P-C4'-P energy: -52.850
tors. eta vs tors. theta energy: -18.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 43
Temperature: 1.200000
Total energy: -457.446322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -457.446322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -457.446322 (E_RNA)
where:
Base-Base interactions energy: -144.822
where: short stacking energy: -141.787
Base-Backbone interact. energy: -1.621
local terms energy: -311.003662
where:
bonds (distance) C4'-P energy: -83.845
bonds (distance) P-C4' energy: -91.464
flat angles C4'-P-C4' energy: -92.228
flat angles P-C4'-P energy: -44.911
tors. eta vs tors. theta energy: 1.444
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 43
Temperature: 1.250000
Total energy: -442.251411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -442.251411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -442.251411 (E_RNA)
where:
Base-Base interactions energy: -166.704
where: short stacking energy: -127.121
Base-Backbone interact. energy: -1.458
local terms energy: -274.089336
where:
bonds (distance) C4'-P energy: -87.368
bonds (distance) P-C4' energy: -76.755
flat angles C4'-P-C4' energy: -68.302
flat angles P-C4'-P energy: -38.729
tors. eta vs tors. theta energy: -2.936
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 43
Temperature: 1.300000
Total energy: -405.526944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -405.526944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -405.526944 (E_RNA)
where:
Base-Base interactions energy: -158.483
where: short stacking energy: -116.612
Base-Backbone interact. energy: 0.708
local terms energy: -247.751801
where:
bonds (distance) C4'-P energy: -70.180
bonds (distance) P-C4' energy: -84.514
flat angles C4'-P-C4' energy: -73.027
flat angles P-C4'-P energy: -26.098
tors. eta vs tors. theta energy: 6.067
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 43
Temperature: 1.350000
Total energy: -354.432992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.432992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.432992 (E_RNA)
where:
Base-Base interactions energy: -110.831
where: short stacking energy: -89.970
Base-Backbone interact. energy: -0.258
local terms energy: -243.344293
where:
bonds (distance) C4'-P energy: -82.734
bonds (distance) P-C4' energy: -86.075
flat angles C4'-P-C4' energy: -51.124
flat angles P-C4'-P energy: -42.848
tors. eta vs tors. theta energy: 19.437
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 44
Temperature: 0.900000
Total energy: -1186.263352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1186.263352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1186.263352 (E_RNA)
where:
Base-Base interactions energy: -718.286
where: short stacking energy: -414.509
Base-Backbone interact. energy: -0.422
local terms energy: -467.555704
where:
bonds (distance) C4'-P energy: -86.335
bonds (distance) P-C4' energy: -96.507
flat angles C4'-P-C4' energy: -98.040
flat angles P-C4'-P energy: -70.423
tors. eta vs tors. theta energy: -116.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 44
Temperature: 0.950000
Total energy: -1085.427818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1085.427818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1085.427818 (E_RNA)
where:
Base-Base interactions energy: -651.044
where: short stacking energy: -357.974
Base-Backbone interact. energy: -0.184
local terms energy: -434.200094
where:
bonds (distance) C4'-P energy: -90.194
bonds (distance) P-C4' energy: -93.776
flat angles C4'-P-C4' energy: -90.070
flat angles P-C4'-P energy: -58.881
tors. eta vs tors. theta energy: -101.278
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 44
Temperature: 1.000000
Total energy: -888.774907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -888.774907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -888.774907 (E_RNA)
where:
Base-Base interactions energy: -466.788
where: short stacking energy: -298.886
Base-Backbone interact. energy: -0.420
local terms energy: -421.567639
where:
bonds (distance) C4'-P energy: -90.319
bonds (distance) P-C4' energy: -100.697
flat angles C4'-P-C4' energy: -92.831
flat angles P-C4'-P energy: -59.726
tors. eta vs tors. theta energy: -77.994
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 44
Temperature: 1.050000
Total energy: -789.425767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -789.425767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -789.425767 (E_RNA)
where:
Base-Base interactions energy: -389.757
where: short stacking energy: -269.448
Base-Backbone interact. energy: 0.538
local terms energy: -400.206686
where:
bonds (distance) C4'-P energy: -80.753
bonds (distance) P-C4' energy: -88.616
flat angles C4'-P-C4' energy: -98.126
flat angles P-C4'-P energy: -58.976
tors. eta vs tors. theta energy: -73.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 44
Temperature: 1.100000
Total energy: -675.758572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -675.758572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -675.758572 (E_RNA)
where:
Base-Base interactions energy: -326.341
where: short stacking energy: -230.693
Base-Backbone interact. energy: -2.625
local terms energy: -346.791908
where:
bonds (distance) C4'-P energy: -88.914
bonds (distance) P-C4' energy: -89.136
flat angles C4'-P-C4' energy: -90.743
flat angles P-C4'-P energy: -43.585
tors. eta vs tors. theta energy: -34.415
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 44
Temperature: 1.150000
Total energy: -561.499164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -561.499164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -561.499164 (E_RNA)
where:
Base-Base interactions energy: -244.511
where: short stacking energy: -181.218
Base-Backbone interact. energy: 3.745
local terms energy: -320.733450
where:
bonds (distance) C4'-P energy: -67.417
bonds (distance) P-C4' energy: -97.362
flat angles C4'-P-C4' energy: -88.716
flat angles P-C4'-P energy: -39.049
tors. eta vs tors. theta energy: -28.189
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 44
Temperature: 1.200000
Total energy: -527.680708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.680708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.680708 (E_RNA)
where:
Base-Base interactions energy: -220.275
where: short stacking energy: -146.529
Base-Backbone interact. energy: 1.659
local terms energy: -309.065045
where:
bonds (distance) C4'-P energy: -90.894
bonds (distance) P-C4' energy: -88.414
flat angles C4'-P-C4' energy: -67.467
flat angles P-C4'-P energy: -59.231
tors. eta vs tors. theta energy: -3.060
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: 9
=====================================
Write number: 44
Temperature: 1.250000
Total energy: -447.442314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -447.442314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -447.442314 (E_RNA)
where:
Base-Base interactions energy: -200.783
where: short stacking energy: -157.378
Base-Backbone interact. energy: -2.225
local terms energy: -244.434671
where:
bonds (distance) C4'-P energy: -57.972
bonds (distance) P-C4' energy: -73.831
flat angles C4'-P-C4' energy: -59.149
flat angles P-C4'-P energy: -36.709
tors. eta vs tors. theta energy: -16.774
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 44
Temperature: 1.300000
Total energy: -369.158917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.158917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.158917 (E_RNA)
where:
Base-Base interactions energy: -127.415
where: short stacking energy: -117.058
Base-Backbone interact. energy: 1.959
local terms energy: -243.702697
where:
bonds (distance) C4'-P energy: -52.889
bonds (distance) P-C4' energy: -80.868
flat angles C4'-P-C4' energy: -69.122
flat angles P-C4'-P energy: -53.135
tors. eta vs tors. theta energy: 12.312
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 44
Temperature: 1.350000
Total energy: -330.023075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.023075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.023075 (E_RNA)
where:
Base-Base interactions energy: -94.901
where: short stacking energy: -85.459
Base-Backbone interact. energy: -1.741
local terms energy: -233.381122
where:
bonds (distance) C4'-P energy: -86.900
bonds (distance) P-C4' energy: -81.620
flat angles C4'-P-C4' energy: -63.489
flat angles P-C4'-P energy: -34.181
tors. eta vs tors. theta energy: 32.809
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: 45
Temperature: 0.900000
Total energy: -1176.451470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1176.451470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1176.451470 (E_RNA)
where:
Base-Base interactions energy: -704.037
where: short stacking energy: -409.942
Base-Backbone interact. energy: -2.192
local terms energy: -470.222779
where:
bonds (distance) C4'-P energy: -89.612
bonds (distance) P-C4' energy: -91.073
flat angles C4'-P-C4' energy: -101.015
flat angles P-C4'-P energy: -64.179
tors. eta vs tors. theta energy: -124.343
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: 4
=====================================
Write number: 45
Temperature: 0.950000
Total energy: -1081.926921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1081.926921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1081.926921 (E_RNA)
where:
Base-Base interactions energy: -645.875
where: short stacking energy: -354.904
Base-Backbone interact. energy: -1.443
local terms energy: -434.609437
where:
bonds (distance) C4'-P energy: -89.866
bonds (distance) P-C4' energy: -88.522
flat angles C4'-P-C4' energy: -97.962
flat angles P-C4'-P energy: -65.087
tors. eta vs tors. theta energy: -93.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 45
Temperature: 1.000000
Total energy: -870.050221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -870.050221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -870.050221 (E_RNA)
where:
Base-Base interactions energy: -468.916
where: short stacking energy: -309.050
Base-Backbone interact. energy: -1.280
local terms energy: -399.853945
where:
bonds (distance) C4'-P energy: -79.993
bonds (distance) P-C4' energy: -84.990
flat angles C4'-P-C4' energy: -92.502
flat angles P-C4'-P energy: -65.017
tors. eta vs tors. theta energy: -77.351
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: 3
=====================================
Write number: 45
Temperature: 1.050000
Total energy: -740.643641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -740.643641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -740.643641 (E_RNA)
where:
Base-Base interactions energy: -371.131
where: short stacking energy: -243.454
Base-Backbone interact. energy: -0.729
local terms energy: -368.783796
where:
bonds (distance) C4'-P energy: -79.016
bonds (distance) P-C4' energy: -92.192
flat angles C4'-P-C4' energy: -87.662
flat angles P-C4'-P energy: -53.143
tors. eta vs tors. theta energy: -56.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 45
Temperature: 1.100000
Total energy: -629.804268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -629.804268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -629.804268 (E_RNA)
where:
Base-Base interactions energy: -277.961
where: short stacking energy: -190.723
Base-Backbone interact. energy: -1.104
local terms energy: -350.739407
where:
bonds (distance) C4'-P energy: -83.297
bonds (distance) P-C4' energy: -84.893
flat angles C4'-P-C4' energy: -88.032
flat angles P-C4'-P energy: -54.592
tors. eta vs tors. theta energy: -39.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 45
Temperature: 1.150000
Total energy: -556.775279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.775279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -556.775279 (E_RNA)
where:
Base-Base interactions energy: -237.861
where: short stacking energy: -172.918
Base-Backbone interact. energy: 1.722
local terms energy: -320.636194
where:
bonds (distance) C4'-P energy: -79.249
bonds (distance) P-C4' energy: -93.739
flat angles C4'-P-C4' energy: -79.119
flat angles P-C4'-P energy: -42.750
tors. eta vs tors. theta energy: -25.779
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 45
Temperature: 1.200000
Total energy: -491.399141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.399141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.399141 (E_RNA)
where:
Base-Base interactions energy: -198.431
where: short stacking energy: -159.545
Base-Backbone interact. energy: -2.872
local terms energy: -290.096442
where:
bonds (distance) C4'-P energy: -87.759
bonds (distance) P-C4' energy: -62.119
flat angles C4'-P-C4' energy: -79.203
flat angles P-C4'-P energy: -38.714
tors. eta vs tors. theta energy: -22.301
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: 45
Temperature: 1.250000
Total energy: -430.045609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -430.045609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -430.045609 (E_RNA)
where:
Base-Base interactions energy: -179.272
where: short stacking energy: -114.296
Base-Backbone interact. energy: -1.584
local terms energy: -249.189513
where:
bonds (distance) C4'-P energy: -76.319
bonds (distance) P-C4' energy: -82.633
flat angles C4'-P-C4' energy: -64.998
flat angles P-C4'-P energy: -34.532
tors. eta vs tors. theta energy: 9.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 45
Temperature: 1.300000
Total energy: -366.668805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.668805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.668805 (E_RNA)
where:
Base-Base interactions energy: -125.855
where: short stacking energy: -106.567
Base-Backbone interact. energy: -0.138
local terms energy: -240.675662
where:
bonds (distance) C4'-P energy: -75.104
bonds (distance) P-C4' energy: -81.425
flat angles C4'-P-C4' energy: -62.626
flat angles P-C4'-P energy: -35.173
tors. eta vs tors. theta energy: 13.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 45
Temperature: 1.350000
Total energy: -356.242322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.242322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.242322 (E_RNA)
where:
Base-Base interactions energy: -124.172
where: short stacking energy: -95.921
Base-Backbone interact. energy: 4.519
local terms energy: -236.589076
where:
bonds (distance) C4'-P energy: -73.111
bonds (distance) P-C4' energy: -82.355
flat angles C4'-P-C4' energy: -59.933
flat angles P-C4'-P energy: -43.645
tors. eta vs tors. theta energy: 22.455
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 46
Temperature: 0.900000
Total energy: -1159.860730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1159.860730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1159.860730 (E_RNA)
where:
Base-Base interactions energy: -690.650
where: short stacking energy: -401.573
Base-Backbone interact. energy: -2.907
local terms energy: -466.303720
where:
bonds (distance) C4'-P energy: -98.889
bonds (distance) P-C4' energy: -92.797
flat angles C4'-P-C4' energy: -98.373
flat angles P-C4'-P energy: -58.547
tors. eta vs tors. theta energy: -117.698
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 46
Temperature: 0.950000
Total energy: -1098.374457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1098.374457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1098.374457 (E_RNA)
where:
Base-Base interactions energy: -653.086
where: short stacking energy: -363.046
Base-Backbone interact. energy: -2.209
local terms energy: -443.079873
where:
bonds (distance) C4'-P energy: -82.716
bonds (distance) P-C4' energy: -95.836
flat angles C4'-P-C4' energy: -95.344
flat angles P-C4'-P energy: -67.000
tors. eta vs tors. theta energy: -102.184
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: 2
=====================================
Write number: 46
Temperature: 1.000000
Total energy: -881.840544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -881.840544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -881.840544 (E_RNA)
where:
Base-Base interactions energy: -497.355
where: short stacking energy: -313.606
Base-Backbone interact. energy: -1.991
local terms energy: -382.494966
where:
bonds (distance) C4'-P energy: -90.657
bonds (distance) P-C4' energy: -74.948
flat angles C4'-P-C4' energy: -88.663
flat angles P-C4'-P energy: -55.587
tors. eta vs tors. theta energy: -72.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 46
Temperature: 1.050000
Total energy: -800.181505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -800.181505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -800.181505 (E_RNA)
where:
Base-Base interactions energy: -402.778
where: short stacking energy: -274.475
Base-Backbone interact. energy: -0.986
local terms energy: -396.418168
where:
bonds (distance) C4'-P energy: -80.353
bonds (distance) P-C4' energy: -98.911
flat angles C4'-P-C4' energy: -89.347
flat angles P-C4'-P energy: -56.839
tors. eta vs tors. theta energy: -70.969
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 46
Temperature: 1.100000
Total energy: -605.349473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -605.349473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -605.349473 (E_RNA)
where:
Base-Base interactions energy: -293.912
where: short stacking energy: -218.636
Base-Backbone interact. energy: 0.150
local terms energy: -311.587336
where:
bonds (distance) C4'-P energy: -83.764
bonds (distance) P-C4' energy: -78.687
flat angles C4'-P-C4' energy: -76.550
flat angles P-C4'-P energy: -46.426
tors. eta vs tors. theta energy: -26.160
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: 6, replica: 6
=====================================
Write number: 46
Temperature: 1.150000
Total energy: -525.056532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.056532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.056532 (E_RNA)
where:
Base-Base interactions energy: -242.136
where: short stacking energy: -187.097
Base-Backbone interact. energy: 2.648
local terms energy: -285.568673
where:
bonds (distance) C4'-P energy: -60.586
bonds (distance) P-C4' energy: -83.695
flat angles C4'-P-C4' energy: -78.161
flat angles P-C4'-P energy: -53.676
tors. eta vs tors. theta energy: -9.451
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 46
Temperature: 1.200000
Total energy: -494.349592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.349592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.349592 (E_RNA)
where:
Base-Base interactions energy: -184.096
where: short stacking energy: -143.707
Base-Backbone interact. energy: -2.386
local terms energy: -307.867745
where:
bonds (distance) C4'-P energy: -85.057
bonds (distance) P-C4' energy: -82.121
flat angles C4'-P-C4' energy: -80.116
flat angles P-C4'-P energy: -50.353
tors. eta vs tors. theta energy: -10.222
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 46
Temperature: 1.250000
Total energy: -429.836291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -429.836291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -429.836291 (E_RNA)
where:
Base-Base interactions energy: -168.516
where: short stacking energy: -127.862
Base-Backbone interact. energy: 3.100
local terms energy: -264.420015
where:
bonds (distance) C4'-P energy: -68.401
bonds (distance) P-C4' energy: -82.324
flat angles C4'-P-C4' energy: -71.423
flat angles P-C4'-P energy: -46.659
tors. eta vs tors. theta energy: 4.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 46
Temperature: 1.300000
Total energy: -390.078293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -390.078293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -390.078293 (E_RNA)
where:
Base-Base interactions energy: -130.310
where: short stacking energy: -111.373
Base-Backbone interact. energy: -2.758
local terms energy: -257.010622
where:
bonds (distance) C4'-P energy: -70.455
bonds (distance) P-C4' energy: -84.793
flat angles C4'-P-C4' energy: -66.270
flat angles P-C4'-P energy: -38.624
tors. eta vs tors. theta energy: 3.132
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 46
Temperature: 1.350000
Total energy: -361.857093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.857093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.857093 (E_RNA)
where:
Base-Base interactions energy: -115.087
where: short stacking energy: -89.068
Base-Backbone interact. energy: 1.006
local terms energy: -247.775872
where:
bonds (distance) C4'-P energy: -90.267
bonds (distance) P-C4' energy: -68.461
flat angles C4'-P-C4' energy: -67.671
flat angles P-C4'-P energy: -45.885
tors. eta vs tors. theta energy: 24.508
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: 1, replica: 1
=====================================
Write number: 47
Temperature: 0.900000
Total energy: -1216.508827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1216.508827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1216.508827 (E_RNA)
where:
Base-Base interactions energy: -731.867
where: short stacking energy: -436.041
Base-Backbone interact. energy: -1.833
local terms energy: -482.809271
where:
bonds (distance) C4'-P energy: -97.052
bonds (distance) P-C4' energy: -87.994
flat angles C4'-P-C4' energy: -104.779
flat angles P-C4'-P energy: -66.138
tors. eta vs tors. theta energy: -126.846
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: 4
=====================================
Write number: 47
Temperature: 0.950000
Total energy: -1046.623536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1046.623536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1046.623536 (E_RNA)
where:
Base-Base interactions energy: -618.175
where: short stacking energy: -322.597
Base-Backbone interact. energy: -2.221
local terms energy: -426.226809
where:
bonds (distance) C4'-P energy: -89.548
bonds (distance) P-C4' energy: -98.494
flat angles C4'-P-C4' energy: -90.326
flat angles P-C4'-P energy: -60.886
tors. eta vs tors. theta energy: -86.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 47
Temperature: 1.000000
Total energy: -889.616153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -889.616153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -889.616153 (E_RNA)
where:
Base-Base interactions energy: -488.471
where: short stacking energy: -325.750
Base-Backbone interact. energy: -0.622
local terms energy: -400.524134
where:
bonds (distance) C4'-P energy: -76.842
bonds (distance) P-C4' energy: -95.320
flat angles C4'-P-C4' energy: -92.327
flat angles P-C4'-P energy: -59.663
tors. eta vs tors. theta energy: -76.372
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: 3
=====================================
Write number: 47
Temperature: 1.050000
Total energy: -793.365061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -793.365061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -793.365061 (E_RNA)
where:
Base-Base interactions energy: -422.608
where: short stacking energy: -278.053
Base-Backbone interact. energy: -1.482
local terms energy: -369.274645
where:
bonds (distance) C4'-P energy: -80.687
bonds (distance) P-C4' energy: -85.527
flat angles C4'-P-C4' energy: -89.631
flat angles P-C4'-P energy: -56.626
tors. eta vs tors. theta energy: -56.804
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: 10
=====================================
Write number: 47
Temperature: 1.100000
Total energy: -641.374504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -641.374504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -641.374504 (E_RNA)
where:
Base-Base interactions energy: -315.021
where: short stacking energy: -212.506
Base-Backbone interact. energy: -2.719
local terms energy: -323.634768
where:
bonds (distance) C4'-P energy: -89.338
bonds (distance) P-C4' energy: -76.902
flat angles C4'-P-C4' energy: -67.476
flat angles P-C4'-P energy: -56.589
tors. eta vs tors. theta energy: -33.330
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: 6
=====================================
Write number: 47
Temperature: 1.150000
Total energy: -555.736237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -555.736237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -555.736237 (E_RNA)
where:
Base-Base interactions energy: -229.685
where: short stacking energy: -166.310
Base-Backbone interact. energy: -1.039
local terms energy: -325.012187
where:
bonds (distance) C4'-P energy: -86.774
bonds (distance) P-C4' energy: -90.639
flat angles C4'-P-C4' energy: -83.478
flat angles P-C4'-P energy: -42.734
tors. eta vs tors. theta energy: -21.387
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: 7, replica: 8
=====================================
Write number: 47
Temperature: 1.200000
Total energy: -460.844634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -460.844634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -460.844634 (E_RNA)
where:
Base-Base interactions energy: -182.229
where: short stacking energy: -157.627
Base-Backbone interact. energy: 1.623
local terms energy: -280.238166
where:
bonds (distance) C4'-P energy: -67.084
bonds (distance) P-C4' energy: -89.337
flat angles C4'-P-C4' energy: -69.471
flat angles P-C4'-P energy: -35.305
tors. eta vs tors. theta energy: -19.040
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: 8, replica: 7
=====================================
Write number: 47
Temperature: 1.250000
Total energy: -434.286557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -434.286557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -434.286557 (E_RNA)
where:
Base-Base interactions energy: -157.510
where: short stacking energy: -134.320
Base-Backbone interact. energy: -2.192
local terms energy: -274.584525
where:
bonds (distance) C4'-P energy: -77.375
bonds (distance) P-C4' energy: -92.588
flat angles C4'-P-C4' energy: -68.005
flat angles P-C4'-P energy: -35.587
tors. eta vs tors. theta energy: -1.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 47
Temperature: 1.300000
Total energy: -404.393488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -404.393488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -404.393488 (E_RNA)
where:
Base-Base interactions energy: -132.566
where: short stacking energy: -110.431
Base-Backbone interact. energy: 1.782
local terms energy: -273.609547
where:
bonds (distance) C4'-P energy: -80.716
bonds (distance) P-C4' energy: -83.773
flat angles C4'-P-C4' energy: -71.870
flat angles P-C4'-P energy: -37.910
tors. eta vs tors. theta energy: 0.659
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 47
Temperature: 1.350000
Total energy: -352.971882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.971882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.971882 (E_RNA)
where:
Base-Base interactions energy: -98.142
where: short stacking energy: -96.078
Base-Backbone interact. energy: -1.741
local terms energy: -253.088380
where:
bonds (distance) C4'-P energy: -73.974
bonds (distance) P-C4' energy: -87.998
flat angles C4'-P-C4' energy: -62.731
flat angles P-C4'-P energy: -41.006
tors. eta vs tors. theta energy: 12.621
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 48
Temperature: 0.900000
Total energy: -1169.473348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1169.473348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1169.473348 (E_RNA)
where:
Base-Base interactions energy: -703.985
where: short stacking energy: -386.256
Base-Backbone interact. energy: -1.528
local terms energy: -463.960416
where:
bonds (distance) C4'-P energy: -98.418
bonds (distance) P-C4' energy: -85.205
flat angles C4'-P-C4' energy: -99.774
flat angles P-C4'-P energy: -73.013
tors. eta vs tors. theta energy: -107.550
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 48
Temperature: 0.950000
Total energy: -1048.399132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1048.399132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1048.399132 (E_RNA)
where:
Base-Base interactions energy: -595.843
where: short stacking energy: -365.055
Base-Backbone interact. energy: -1.878
local terms energy: -450.677724
where:
bonds (distance) C4'-P energy: -85.130
bonds (distance) P-C4' energy: -100.631
flat angles C4'-P-C4' energy: -97.872
flat angles P-C4'-P energy: -63.294
tors. eta vs tors. theta energy: -103.750
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: 2
=====================================
Write number: 48
Temperature: 1.000000
Total energy: -906.800923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -906.800923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -906.800923 (E_RNA)
where:
Base-Base interactions energy: -506.947
where: short stacking energy: -294.979
Base-Backbone interact. energy: 0.336
local terms energy: -400.190129
where:
bonds (distance) C4'-P energy: -79.159
bonds (distance) P-C4' energy: -102.839
flat angles C4'-P-C4' energy: -92.342
flat angles P-C4'-P energy: -61.493
tors. eta vs tors. theta energy: -64.357
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: 4, replica: 3
=====================================
Write number: 48
Temperature: 1.050000
Total energy: -785.626062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -785.626062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -785.626062 (E_RNA)
where:
Base-Base interactions energy: -403.075
where: short stacking energy: -265.445
Base-Backbone interact. energy: -0.582
local terms energy: -381.968751
where:
bonds (distance) C4'-P energy: -80.908
bonds (distance) P-C4' energy: -87.583
flat angles C4'-P-C4' energy: -94.749
flat angles P-C4'-P energy: -58.128
tors. eta vs tors. theta energy: -60.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 48
Temperature: 1.100000
Total energy: -626.696734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -626.696734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -626.696734 (E_RNA)
where:
Base-Base interactions energy: -272.845
where: short stacking energy: -195.316
Base-Backbone interact. energy: -2.092
local terms energy: -351.759515
where:
bonds (distance) C4'-P energy: -92.906
bonds (distance) P-C4' energy: -92.800
flat angles C4'-P-C4' energy: -86.024
flat angles P-C4'-P energy: -50.746
tors. eta vs tors. theta energy: -29.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 48
Temperature: 1.150000
Total energy: -578.218532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -578.218532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -578.218532 (E_RNA)
where:
Base-Base interactions energy: -256.224
where: short stacking energy: -186.077
Base-Backbone interact. energy: 0.537
local terms energy: -322.531446
where:
bonds (distance) C4'-P energy: -79.291
bonds (distance) P-C4' energy: -86.953
flat angles C4'-P-C4' energy: -81.713
flat angles P-C4'-P energy: -51.871
tors. eta vs tors. theta energy: -22.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 48
Temperature: 1.200000
Total energy: -492.095614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.095614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.095614 (E_RNA)
where:
Base-Base interactions energy: -188.513
where: short stacking energy: -149.775
Base-Backbone interact. energy: -2.559
local terms energy: -301.023270
where:
bonds (distance) C4'-P energy: -79.253
bonds (distance) P-C4' energy: -90.727
flat angles C4'-P-C4' energy: -76.179
flat angles P-C4'-P energy: -44.246
tors. eta vs tors. theta energy: -10.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 48
Temperature: 1.250000
Total energy: -410.241341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.241341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -410.241341 (E_RNA)
where:
Base-Base interactions energy: -138.480
where: short stacking energy: -112.892
Base-Backbone interact. energy: -1.450
local terms energy: -270.311125
where:
bonds (distance) C4'-P energy: -78.470
bonds (distance) P-C4' energy: -80.523
flat angles C4'-P-C4' energy: -76.739
flat angles P-C4'-P energy: -36.773
tors. eta vs tors. theta energy: 2.194
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: 9, replica: 9
=====================================
Write number: 48
Temperature: 1.300000
Total energy: -364.487705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.487705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.487705 (E_RNA)
where:
Base-Base interactions energy: -137.860
where: short stacking energy: -117.048
Base-Backbone interact. energy: -2.466
local terms energy: -224.160988
where:
bonds (distance) C4'-P energy: -70.336
bonds (distance) P-C4' energy: -80.356
flat angles C4'-P-C4' energy: -53.213
flat angles P-C4'-P energy: -27.047
tors. eta vs tors. theta energy: 6.790
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 48
Temperature: 1.350000
Total energy: -345.904665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.904665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.904665 (E_RNA)
where:
Base-Base interactions energy: -91.566
where: short stacking energy: -83.649
Base-Backbone interact. energy: 5.707
local terms energy: -260.045142
where:
bonds (distance) C4'-P energy: -78.812
bonds (distance) P-C4' energy: -83.044
flat angles C4'-P-C4' energy: -76.611
flat angles P-C4'-P energy: -38.698
tors. eta vs tors. theta energy: 17.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 49
Temperature: 0.900000
Total energy: -1168.661215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1168.661215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1168.661215 (E_RNA)
where:
Base-Base interactions energy: -691.704
where: short stacking energy: -396.869
Base-Backbone interact. energy: -1.861
local terms energy: -475.096190
where:
bonds (distance) C4'-P energy: -88.367
bonds (distance) P-C4' energy: -96.169
flat angles C4'-P-C4' energy: -98.501
flat angles P-C4'-P energy: -71.505
tors. eta vs tors. theta energy: -120.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 49
Temperature: 0.950000
Total energy: -1059.395015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1059.395015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1059.395015 (E_RNA)
where:
Base-Base interactions energy: -617.364
where: short stacking energy: -364.210
Base-Backbone interact. energy: 1.130
local terms energy: -443.160616
where:
bonds (distance) C4'-P energy: -98.569
bonds (distance) P-C4' energy: -91.325
flat angles C4'-P-C4' energy: -91.628
flat angles P-C4'-P energy: -66.820
tors. eta vs tors. theta energy: -94.819
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: 49
Temperature: 1.000000
Total energy: -881.003428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -881.003428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -881.003428 (E_RNA)
where:
Base-Base interactions energy: -474.094
where: short stacking energy: -317.653
Base-Backbone interact. energy: -0.880
local terms energy: -406.029699
where:
bonds (distance) C4'-P energy: -75.504
bonds (distance) P-C4' energy: -91.019
flat angles C4'-P-C4' energy: -95.202
flat angles P-C4'-P energy: -64.203
tors. eta vs tors. theta energy: -80.102
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 49
Temperature: 1.050000
Total energy: -742.538289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -742.538289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -742.538289 (E_RNA)
where:
Base-Base interactions energy: -397.181
where: short stacking energy: -252.667
Base-Backbone interact. energy: 8.662
local terms energy: -354.019234
where:
bonds (distance) C4'-P energy: -98.248
bonds (distance) P-C4' energy: -83.653
flat angles C4'-P-C4' energy: -73.306
flat angles P-C4'-P energy: -54.169
tors. eta vs tors. theta energy: -44.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 49
Temperature: 1.100000
Total energy: -659.139887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -659.139887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -659.139887 (E_RNA)
where:
Base-Base interactions energy: -321.236
where: short stacking energy: -211.035
Base-Backbone interact. energy: -0.716
local terms energy: -337.187887
where:
bonds (distance) C4'-P energy: -73.534
bonds (distance) P-C4' energy: -100.111
flat angles C4'-P-C4' energy: -70.986
flat angles P-C4'-P energy: -51.133
tors. eta vs tors. theta energy: -41.424
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 49
Temperature: 1.150000
Total energy: -554.922491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -554.922491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -554.922491 (E_RNA)
where:
Base-Base interactions energy: -240.374
where: short stacking energy: -167.429
Base-Backbone interact. energy: 1.588
local terms energy: -316.136165
where:
bonds (distance) C4'-P energy: -74.915
bonds (distance) P-C4' energy: -88.010
flat angles C4'-P-C4' energy: -92.578
flat angles P-C4'-P energy: -38.661
tors. eta vs tors. theta energy: -21.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 49
Temperature: 1.200000
Total energy: -483.343054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.343054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -483.343054 (E_RNA)
where:
Base-Base interactions energy: -203.100
where: short stacking energy: -143.656
Base-Backbone interact. energy: 4.659
local terms energy: -284.901799
where:
bonds (distance) C4'-P energy: -81.121
bonds (distance) P-C4' energy: -75.352
flat angles C4'-P-C4' energy: -80.128
flat angles P-C4'-P energy: -44.135
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: 8, replica: 9
=====================================
Write number: 49
Temperature: 1.250000
Total energy: -431.660196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -431.660196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -431.660196 (E_RNA)
where:
Base-Base interactions energy: -154.232
where: short stacking energy: -115.924
Base-Backbone interact. energy: -0.265
local terms energy: -277.163725
where:
bonds (distance) C4'-P energy: -60.760
bonds (distance) P-C4' energy: -83.169
flat angles C4'-P-C4' energy: -79.713
flat angles P-C4'-P energy: -50.701
tors. eta vs tors. theta energy: -2.821
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 49
Temperature: 1.300000
Total energy: -421.661329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.661329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -421.661329 (E_RNA)
where:
Base-Base interactions energy: -156.601
where: short stacking energy: -142.219
Base-Backbone interact. energy: 0.250
local terms energy: -265.310011
where:
bonds (distance) C4'-P energy: -65.994
bonds (distance) P-C4' energy: -80.687
flat angles C4'-P-C4' energy: -77.831
flat angles P-C4'-P energy: -38.419
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: 10, replica: 5
=====================================
Write number: 49
Temperature: 1.350000
Total energy: -351.433803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.433803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.433803 (E_RNA)
where:
Base-Base interactions energy: -123.408
where: short stacking energy: -100.549
Base-Backbone interact. energy: 1.311
local terms energy: -229.337431
where:
bonds (distance) C4'-P energy: -68.776
bonds (distance) P-C4' energy: -77.387
flat angles C4'-P-C4' energy: -63.117
flat angles P-C4'-P energy: -30.926
tors. eta vs tors. theta energy: 10.869
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: 1
=====================================
Write number: 50
Temperature: 0.900000
Total energy: -1153.477777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1153.477777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1153.477777 (E_RNA)
where:
Base-Base interactions energy: -671.403
where: short stacking energy: -385.134
Base-Backbone interact. energy: -1.252
local terms energy: -480.823098
where:
bonds (distance) C4'-P energy: -88.387
bonds (distance) P-C4' energy: -100.687
flat angles C4'-P-C4' energy: -106.431
flat angles P-C4'-P energy: -69.153
tors. eta vs tors. theta energy: -116.165
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 50
Temperature: 0.950000
Total energy: -1027.893238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1027.893238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1027.893238 (E_RNA)
where:
Base-Base interactions energy: -582.972
where: short stacking energy: -337.055
Base-Backbone interact. energy: -0.548
local terms energy: -444.373309
where:
bonds (distance) C4'-P energy: -89.638
bonds (distance) P-C4' energy: -90.033
flat angles C4'-P-C4' energy: -93.259
flat angles P-C4'-P energy: -66.016
tors. eta vs tors. theta energy: -105.427
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 50
Temperature: 1.000000
Total energy: -876.782904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -876.782904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -876.782904 (E_RNA)
where:
Base-Base interactions energy: -476.493
where: short stacking energy: -308.296
Base-Backbone interact. energy: 0.703
local terms energy: -400.993159
where:
bonds (distance) C4'-P energy: -90.137
bonds (distance) P-C4' energy: -81.407
flat angles C4'-P-C4' energy: -95.118
flat angles P-C4'-P energy: -65.148
tors. eta vs tors. theta energy: -69.183
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 50
Temperature: 1.050000
Total energy: -825.100724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -825.100724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -825.100724 (E_RNA)
where:
Base-Base interactions energy: -439.745
where: short stacking energy: -275.210
Base-Backbone interact. energy: -1.292
local terms energy: -384.063337
where:
bonds (distance) C4'-P energy: -69.881
bonds (distance) P-C4' energy: -97.596
flat angles C4'-P-C4' energy: -94.744
flat angles P-C4'-P energy: -58.378
tors. eta vs tors. theta energy: -63.465
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: 6
=====================================
Write number: 50
Temperature: 1.100000
Total energy: -683.814024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -683.814024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -683.814024 (E_RNA)
where:
Base-Base interactions energy: -328.808
where: short stacking energy: -234.613
Base-Backbone interact. energy: -1.826
local terms energy: -353.179639
where:
bonds (distance) C4'-P energy: -92.656
bonds (distance) P-C4' energy: -76.683
flat angles C4'-P-C4' energy: -79.142
flat angles P-C4'-P energy: -53.667
tors. eta vs tors. theta energy: -51.032
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: 6, replica: 10
=====================================
Write number: 50
Temperature: 1.150000
Total energy: -556.370632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.370632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -556.370632 (E_RNA)
where:
Base-Base interactions energy: -268.895
where: short stacking energy: -174.985
Base-Backbone interact. energy: -1.620
local terms energy: -285.855450
where:
bonds (distance) C4'-P energy: -80.974
bonds (distance) P-C4' energy: -64.162
flat angles C4'-P-C4' energy: -80.009
flat angles P-C4'-P energy: -47.189
tors. eta vs tors. theta energy: -13.521
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: 50
Temperature: 1.200000
Total energy: -455.644643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -455.644643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -455.644643 (E_RNA)
where:
Base-Base interactions energy: -171.423
where: short stacking energy: -144.189
Base-Backbone interact. energy: -0.986
local terms energy: -283.235683
where:
bonds (distance) C4'-P energy: -79.504
bonds (distance) P-C4' energy: -81.357
flat angles C4'-P-C4' energy: -76.101
flat angles P-C4'-P energy: -42.018
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: 50
Temperature: 1.250000
Total energy: -398.968895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -398.968895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -398.968895 (E_RNA)
where:
Base-Base interactions energy: -140.595
where: short stacking energy: -114.067
Base-Backbone interact. energy: 0.068
local terms energy: -258.442228
where:
bonds (distance) C4'-P energy: -65.190
bonds (distance) P-C4' energy: -93.496
flat angles C4'-P-C4' energy: -77.268
flat angles P-C4'-P energy: -32.003
tors. eta vs tors. theta energy: 9.515
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: 5
=====================================
Write number: 50
Temperature: 1.300000
Total energy: -402.734837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -402.734837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -402.734837 (E_RNA)
where:
Base-Base interactions energy: -137.430
where: short stacking energy: -118.787
Base-Backbone interact. energy: -1.325
local terms energy: -263.979566
where:
bonds (distance) C4'-P energy: -80.769
bonds (distance) P-C4' energy: -76.690
flat angles C4'-P-C4' energy: -72.323
flat angles P-C4'-P energy: -44.865
tors. eta vs tors. theta energy: 10.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 50
Temperature: 1.350000
Total energy: -362.469752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.469752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.469752 (E_RNA)
where:
Base-Base interactions energy: -124.565
where: short stacking energy: -106.957
Base-Backbone interact. energy: 0.192
local terms energy: -238.096990
where:
bonds (distance) C4'-P energy: -76.346
bonds (distance) P-C4' energy: -73.586
flat angles C4'-P-C4' energy: -67.463
flat angles P-C4'-P energy: -33.524
tors. eta vs tors. theta energy: 12.821
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 51
Temperature: 0.900000
Total energy: -1181.384628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1181.384628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1181.384628 (E_RNA)
where:
Base-Base interactions energy: -698.441
where: short stacking energy: -413.219
Base-Backbone interact. energy: -0.720
local terms energy: -482.223960
where:
bonds (distance) C4'-P energy: -89.024
bonds (distance) P-C4' energy: -96.578
flat angles C4'-P-C4' energy: -114.040
flat angles P-C4'-P energy: -76.665
tors. eta vs tors. theta energy: -105.917
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 51
Temperature: 0.950000
Total energy: -1072.440745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1072.440745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1072.440745 (E_RNA)
where:
Base-Base interactions energy: -609.857
where: short stacking energy: -368.683
Base-Backbone interact. energy: -0.945
local terms energy: -461.638379
where:
bonds (distance) C4'-P energy: -86.815
bonds (distance) P-C4' energy: -98.166
flat angles C4'-P-C4' energy: -106.664
flat angles P-C4'-P energy: -66.239
tors. eta vs tors. theta energy: -103.755
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: 2
=====================================
Write number: 51
Temperature: 1.000000
Total energy: -906.874377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -906.874377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -906.874377 (E_RNA)
where:
Base-Base interactions energy: -499.167
where: short stacking energy: -327.983
Base-Backbone interact. energy: 0.252
local terms energy: -407.958981
where:
bonds (distance) C4'-P energy: -83.431
bonds (distance) P-C4' energy: -98.256
flat angles C4'-P-C4' energy: -88.466
flat angles P-C4'-P energy: -56.157
tors. eta vs tors. theta energy: -81.649
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: 51
Temperature: 1.050000
Total energy: -824.014033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -824.014033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -824.014033 (E_RNA)
where:
Base-Base interactions energy: -436.590
where: short stacking energy: -281.582
Base-Backbone interact. energy: 0.227
local terms energy: -387.650678
where:
bonds (distance) C4'-P energy: -93.441
bonds (distance) P-C4' energy: -84.904
flat angles C4'-P-C4' energy: -93.188
flat angles P-C4'-P energy: -45.694
tors. eta vs tors. theta energy: -70.423
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 51
Temperature: 1.100000
Total energy: -637.305094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -637.305094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -637.305094 (E_RNA)
where:
Base-Base interactions energy: -304.122
where: short stacking energy: -217.933
Base-Backbone interact. energy: 1.891
local terms energy: -335.073993
where:
bonds (distance) C4'-P energy: -81.586
bonds (distance) P-C4' energy: -91.465
flat angles C4'-P-C4' energy: -79.791
flat angles P-C4'-P energy: -52.394
tors. eta vs tors. theta energy: -29.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 51
Temperature: 1.150000
Total energy: -566.314886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -566.314886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -566.314886 (E_RNA)
where:
Base-Base interactions energy: -250.516
where: short stacking energy: -183.938
Base-Backbone interact. energy: -0.530
local terms energy: -315.268339
where:
bonds (distance) C4'-P energy: -84.384
bonds (distance) P-C4' energy: -88.620
flat angles C4'-P-C4' energy: -70.968
flat angles P-C4'-P energy: -45.624
tors. eta vs tors. theta energy: -25.672
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 51
Temperature: 1.200000
Total energy: -497.978165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.978165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.978165 (E_RNA)
where:
Base-Base interactions energy: -197.001
where: short stacking energy: -177.862
Base-Backbone interact. energy: 4.138
local terms energy: -305.115379
where:
bonds (distance) C4'-P energy: -78.589
bonds (distance) P-C4' energy: -84.686
flat angles C4'-P-C4' energy: -72.022
flat angles P-C4'-P energy: -50.610
tors. eta vs tors. theta energy: -19.208
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: 8, replica: 5
=====================================
Write number: 51
Temperature: 1.250000
Total energy: -403.068260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.068260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -403.068260 (E_RNA)
where:
Base-Base interactions energy: -129.467
where: short stacking energy: -108.608
Base-Backbone interact. energy: -3.290
local terms energy: -270.311484
where:
bonds (distance) C4'-P energy: -83.892
bonds (distance) P-C4' energy: -87.668
flat angles C4'-P-C4' energy: -75.689
flat angles P-C4'-P energy: -28.540
tors. eta vs tors. theta energy: 5.477
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 51
Temperature: 1.300000
Total energy: -365.659066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.659066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.659066 (E_RNA)
where:
Base-Base interactions energy: -114.779
where: short stacking energy: -95.501
Base-Backbone interact. energy: 0.516
local terms energy: -251.395744
where:
bonds (distance) C4'-P energy: -72.270
bonds (distance) P-C4' energy: -86.122
flat angles C4'-P-C4' energy: -73.066
flat angles P-C4'-P energy: -34.538
tors. eta vs tors. theta energy: 14.599
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: 8
=====================================
Write number: 51
Temperature: 1.350000
Total energy: -351.735454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.735454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.735454 (E_RNA)
where:
Base-Base interactions energy: -98.880
where: short stacking energy: -89.717
Base-Backbone interact. energy: -1.546
local terms energy: -251.309047
where:
bonds (distance) C4'-P energy: -76.633
bonds (distance) P-C4' energy: -84.353
flat angles C4'-P-C4' energy: -72.568
flat angles P-C4'-P energy: -24.756
tors. eta vs tors. theta energy: 7.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 52
Temperature: 0.900000
Total energy: -1192.582636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1192.582636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1192.582636 (E_RNA)
where:
Base-Base interactions energy: -714.896
where: short stacking energy: -414.867
Base-Backbone interact. energy: -0.988
local terms energy: -476.698982
where:
bonds (distance) C4'-P energy: -96.068
bonds (distance) P-C4' energy: -94.652
flat angles C4'-P-C4' energy: -97.015
flat angles P-C4'-P energy: -61.167
tors. eta vs tors. theta energy: -127.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 52
Temperature: 0.950000
Total energy: -1043.988053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1043.988053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1043.988053 (E_RNA)
where:
Base-Base interactions energy: -588.059
where: short stacking energy: -381.533
Base-Backbone interact. energy: -2.847
local terms energy: -453.082458
where:
bonds (distance) C4'-P energy: -91.759
bonds (distance) P-C4' energy: -91.076
flat angles C4'-P-C4' energy: -89.099
flat angles P-C4'-P energy: -72.109
tors. eta vs tors. theta energy: -109.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 52
Temperature: 1.000000
Total energy: -923.827066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -923.827066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -923.827066 (E_RNA)
where:
Base-Base interactions energy: -517.326
where: short stacking energy: -314.778
Base-Backbone interact. energy: 1.601
local terms energy: -408.101748
where:
bonds (distance) C4'-P energy: -82.943
bonds (distance) P-C4' energy: -92.213
flat angles C4'-P-C4' energy: -91.132
flat angles P-C4'-P energy: -57.378
tors. eta vs tors. theta energy: -84.435
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 52
Temperature: 1.050000
Total energy: -888.951386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -888.951386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -888.951386 (E_RNA)
where:
Base-Base interactions energy: -483.330
where: short stacking energy: -295.694
Base-Backbone interact. energy: -0.687
local terms energy: -404.933892
where:
bonds (distance) C4'-P energy: -79.450
bonds (distance) P-C4' energy: -83.487
flat angles C4'-P-C4' energy: -92.918
flat angles P-C4'-P energy: -71.898
tors. eta vs tors. theta energy: -77.182
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 52
Temperature: 1.100000
Total energy: -627.203200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -627.203200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -627.203200 (E_RNA)
where:
Base-Base interactions energy: -297.292
where: short stacking energy: -219.748
Base-Backbone interact. energy: -1.660
local terms energy: -328.251343
where:
bonds (distance) C4'-P energy: -80.232
bonds (distance) P-C4' energy: -75.401
flat angles C4'-P-C4' energy: -91.258
flat angles P-C4'-P energy: -55.074
tors. eta vs tors. theta energy: -26.286
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 52
Temperature: 1.150000
Total energy: -549.001336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.001336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.001336 (E_RNA)
where:
Base-Base interactions energy: -244.049
where: short stacking energy: -193.032
Base-Backbone interact. energy: -1.955
local terms energy: -302.997367
where:
bonds (distance) C4'-P energy: -79.645
bonds (distance) P-C4' energy: -89.479
flat angles C4'-P-C4' energy: -71.774
flat angles P-C4'-P energy: -53.980
tors. eta vs tors. theta energy: -8.119
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 52
Temperature: 1.200000
Total energy: -440.902542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -440.902542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -440.902542 (E_RNA)
where:
Base-Base interactions energy: -158.432
where: short stacking energy: -125.103
Base-Backbone interact. energy: 0.643
local terms energy: -283.113320
where:
bonds (distance) C4'-P energy: -73.332
bonds (distance) P-C4' energy: -98.382
flat angles C4'-P-C4' energy: -73.752
flat angles P-C4'-P energy: -40.878
tors. eta vs tors. theta energy: 3.231
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: 5
=====================================
Write number: 52
Temperature: 1.250000
Total energy: -411.741524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.741524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.741524 (E_RNA)
where:
Base-Base interactions energy: -152.968
where: short stacking energy: -127.540
Base-Backbone interact. energy: 0.151
local terms energy: -258.924083
where:
bonds (distance) C4'-P energy: -64.869
bonds (distance) P-C4' energy: -80.738
flat angles C4'-P-C4' energy: -63.952
flat angles P-C4'-P energy: -45.632
tors. eta vs tors. theta energy: -3.733
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 52
Temperature: 1.300000
Total energy: -394.504973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -394.504973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -394.504973 (E_RNA)
where:
Base-Base interactions energy: -115.839
where: short stacking energy: -106.337
Base-Backbone interact. energy: 1.208
local terms energy: -279.873440
where:
bonds (distance) C4'-P energy: -80.919
bonds (distance) P-C4' energy: -91.478
flat angles C4'-P-C4' energy: -64.721
flat angles P-C4'-P energy: -51.156
tors. eta vs tors. theta energy: 8.401
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 52
Temperature: 1.350000
Total energy: -351.235737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.235737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.235737 (E_RNA)
where:
Base-Base interactions energy: -113.868
where: short stacking energy: -82.090
Base-Backbone interact. energy: -0.352
local terms energy: -237.015089
where:
bonds (distance) C4'-P energy: -71.506
bonds (distance) P-C4' energy: -73.736
flat angles C4'-P-C4' energy: -66.612
flat angles P-C4'-P energy: -33.371
tors. eta vs tors. theta energy: 8.209
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: 53
Temperature: 0.900000
Total energy: -1186.062429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1186.062429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1186.062429 (E_RNA)
where:
Base-Base interactions energy: -705.014
where: short stacking energy: -420.348
Base-Backbone interact. energy: -0.166
local terms energy: -480.882331
where:
bonds (distance) C4'-P energy: -95.672
bonds (distance) P-C4' energy: -95.627
flat angles C4'-P-C4' energy: -99.202
flat angles P-C4'-P energy: -71.582
tors. eta vs tors. theta energy: -118.800
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: 4
=====================================
Write number: 53
Temperature: 0.950000
Total energy: -1042.069074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1042.069074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1042.069074 (E_RNA)
where:
Base-Base interactions energy: -612.667
where: short stacking energy: -374.476
Base-Backbone interact. energy: -0.036
local terms energy: -429.365472
where:
bonds (distance) C4'-P energy: -88.937
bonds (distance) P-C4' energy: -82.322
flat angles C4'-P-C4' energy: -91.253
flat angles P-C4'-P energy: -66.293
tors. eta vs tors. theta energy: -100.561
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 53
Temperature: 1.000000
Total energy: -914.606165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -914.606165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -914.606165 (E_RNA)
where:
Base-Base interactions energy: -504.410
where: short stacking energy: -330.030
Base-Backbone interact. energy: 0.243
local terms energy: -410.439327
where:
bonds (distance) C4'-P energy: -80.416
bonds (distance) P-C4' energy: -89.148
flat angles C4'-P-C4' energy: -102.445
flat angles P-C4'-P energy: -48.027
tors. eta vs tors. theta energy: -90.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 53
Temperature: 1.050000
Total energy: -835.898908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -835.898908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -835.898908 (E_RNA)
where:
Base-Base interactions energy: -434.912
where: short stacking energy: -260.430
Base-Backbone interact. energy: 3.182
local terms energy: -404.168262
where:
bonds (distance) C4'-P energy: -103.007
bonds (distance) P-C4' energy: -93.602
flat angles C4'-P-C4' energy: -92.497
flat angles P-C4'-P energy: -51.685
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: 5, replica: 6
=====================================
Write number: 53
Temperature: 1.100000
Total energy: -598.963179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -598.963179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -598.963179 (E_RNA)
where:
Base-Base interactions energy: -266.351
where: short stacking energy: -205.037
Base-Backbone interact. energy: 0.877
local terms energy: -333.489281
where:
bonds (distance) C4'-P energy: -88.593
bonds (distance) P-C4' energy: -86.876
flat angles C4'-P-C4' energy: -79.254
flat angles P-C4'-P energy: -46.354
tors. eta vs tors. theta energy: -32.412
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 53
Temperature: 1.150000
Total energy: -529.058527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.058527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.058527 (E_RNA)
where:
Base-Base interactions energy: -207.396
where: short stacking energy: -172.745
Base-Backbone interact. energy: 1.080
local terms energy: -322.742154
where:
bonds (distance) C4'-P energy: -78.082
bonds (distance) P-C4' energy: -90.851
flat angles C4'-P-C4' energy: -84.649
flat angles P-C4'-P energy: -51.751
tors. eta vs tors. theta energy: -17.409
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: 10
=====================================
Write number: 53
Temperature: 1.200000
Total energy: -503.857561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -503.857561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.857561 (E_RNA)
where:
Base-Base interactions energy: -212.142
where: short stacking energy: -146.189
Base-Backbone interact. energy: -1.583
local terms energy: -290.132168
where:
bonds (distance) C4'-P energy: -91.286
bonds (distance) P-C4' energy: -81.075
flat angles C4'-P-C4' energy: -80.544
flat angles P-C4'-P energy: -31.922
tors. eta vs tors. theta energy: -5.305
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: 8
=====================================
Write number: 53
Temperature: 1.250000
Total energy: -401.213097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -401.213097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -401.213097 (E_RNA)
where:
Base-Base interactions energy: -139.475
where: short stacking energy: -127.588
Base-Backbone interact. energy: -0.543
local terms energy: -261.195207
where:
bonds (distance) C4'-P energy: -85.521
bonds (distance) P-C4' energy: -72.509
flat angles C4'-P-C4' energy: -75.373
flat angles P-C4'-P energy: -37.321
tors. eta vs tors. theta energy: 9.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 53
Temperature: 1.300000
Total energy: -383.949427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -383.949427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -383.949427 (E_RNA)
where:
Base-Base interactions energy: -141.230
where: short stacking energy: -122.976
Base-Backbone interact. energy: 1.562
local terms energy: -244.281052
where:
bonds (distance) C4'-P energy: -64.375
bonds (distance) P-C4' energy: -74.313
flat angles C4'-P-C4' energy: -61.344
flat angles P-C4'-P energy: -48.669
tors. eta vs tors. theta energy: 4.419
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: 10, replica: 9
=====================================
Write number: 53
Temperature: 1.350000
Total energy: -360.658976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.658976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.658976 (E_RNA)
where:
Base-Base interactions energy: -104.364
where: short stacking energy: -80.123
Base-Backbone interact. energy: -0.710
local terms energy: -255.584779
where:
bonds (distance) C4'-P energy: -78.646
bonds (distance) P-C4' energy: -81.966
flat angles C4'-P-C4' energy: -77.268
flat angles P-C4'-P energy: -35.033
tors. eta vs tors. theta energy: 17.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 54
Temperature: 0.900000
Total energy: -1187.676853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1187.676853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1187.676853 (E_RNA)
where:
Base-Base interactions energy: -724.996
where: short stacking energy: -421.079
Base-Backbone interact. energy: -0.679
local terms energy: -462.001106
where:
bonds (distance) C4'-P energy: -88.938
bonds (distance) P-C4' energy: -95.977
flat angles C4'-P-C4' energy: -93.359
flat angles P-C4'-P energy: -70.393
tors. eta vs tors. theta energy: -113.335
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 54
Temperature: 0.950000
Total energy: -999.182138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -999.182138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -999.182138 (E_RNA)
where:
Base-Base interactions energy: -558.678
where: short stacking energy: -346.169
Base-Backbone interact. energy: -2.731
local terms energy: -437.772926
where:
bonds (distance) C4'-P energy: -90.780
bonds (distance) P-C4' energy: -91.216
flat angles C4'-P-C4' energy: -96.480
flat angles P-C4'-P energy: -66.717
tors. eta vs tors. theta energy: -92.580
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: 54
Temperature: 1.000000
Total energy: -975.788020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -975.788020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -975.788020 (E_RNA)
where:
Base-Base interactions energy: -550.187
where: short stacking energy: -352.512
Base-Backbone interact. energy: 0.529
local terms energy: -426.130586
where:
bonds (distance) C4'-P energy: -83.153
bonds (distance) P-C4' energy: -98.819
flat angles C4'-P-C4' energy: -95.912
flat angles P-C4'-P energy: -57.133
tors. eta vs tors. theta energy: -91.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 54
Temperature: 1.050000
Total energy: -801.324068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -801.324068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -801.324068 (E_RNA)
where:
Base-Base interactions energy: -407.615
where: short stacking energy: -288.457
Base-Backbone interact. energy: -0.141
local terms energy: -393.567928
where:
bonds (distance) C4'-P energy: -92.276
bonds (distance) P-C4' energy: -82.356
flat angles C4'-P-C4' energy: -93.014
flat angles P-C4'-P energy: -55.217
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: 54
Temperature: 1.100000
Total energy: -646.992457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -646.992457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -646.992457 (E_RNA)
where:
Base-Base interactions energy: -284.315
where: short stacking energy: -208.128
Base-Backbone interact. energy: -2.150
local terms energy: -360.527737
where:
bonds (distance) C4'-P energy: -83.413
bonds (distance) P-C4' energy: -85.511
flat angles C4'-P-C4' energy: -94.797
flat angles P-C4'-P energy: -56.427
tors. eta vs tors. theta energy: -40.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 54
Temperature: 1.150000
Total energy: -540.656060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.656060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.656060 (E_RNA)
where:
Base-Base interactions energy: -199.964
where: short stacking energy: -161.571
Base-Backbone interact. energy: -2.038
local terms energy: -338.654191
where:
bonds (distance) C4'-P energy: -81.009
bonds (distance) P-C4' energy: -85.412
flat angles C4'-P-C4' energy: -86.288
flat angles P-C4'-P energy: -63.837
tors. eta vs tors. theta energy: -22.108
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 54
Temperature: 1.200000
Total energy: -442.361653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -442.361653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -442.361653 (E_RNA)
where:
Base-Base interactions energy: -159.930
where: short stacking energy: -139.380
Base-Backbone interact. energy: 1.433
local terms energy: -283.863840
where:
bonds (distance) C4'-P energy: -76.919
bonds (distance) P-C4' energy: -86.568
flat angles C4'-P-C4' energy: -81.233
flat angles P-C4'-P energy: -53.889
tors. eta vs tors. theta energy: 14.745
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 54
Temperature: 1.250000
Total energy: -393.645782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.645782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -393.645782 (E_RNA)
where:
Base-Base interactions energy: -131.403
where: short stacking energy: -117.531
Base-Backbone interact. energy: -3.420
local terms energy: -258.822376
where:
bonds (distance) C4'-P energy: -74.993
bonds (distance) P-C4' energy: -86.553
flat angles C4'-P-C4' energy: -63.816
flat angles P-C4'-P energy: -41.378
tors. eta vs tors. theta energy: 7.917
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: 5
=====================================
Write number: 54
Temperature: 1.300000
Total energy: -385.000326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -385.000326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -385.000326 (E_RNA)
where:
Base-Base interactions energy: -109.534
where: short stacking energy: -105.700
Base-Backbone interact. energy: 2.927
local terms energy: -278.393447
where:
bonds (distance) C4'-P energy: -70.952
bonds (distance) P-C4' energy: -92.733
flat angles C4'-P-C4' energy: -72.318
flat angles P-C4'-P energy: -47.763
tors. eta vs tors. theta energy: 5.373
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: 10, replica: 9
=====================================
Write number: 54
Temperature: 1.350000
Total energy: -352.696831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.696831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.696831 (E_RNA)
where:
Base-Base interactions energy: -125.457
where: short stacking energy: -113.539
Base-Backbone interact. energy: -0.783
local terms energy: -226.456698
where:
bonds (distance) C4'-P energy: -58.980
bonds (distance) P-C4' energy: -97.695
flat angles C4'-P-C4' energy: -65.471
flat angles P-C4'-P energy: -14.386
tors. eta vs tors. theta energy: 10.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 55
Temperature: 0.900000
Total energy: -1152.646024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1152.646024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1152.646024 (E_RNA)
where:
Base-Base interactions energy: -678.337
where: short stacking energy: -391.571
Base-Backbone interact. energy: -1.236
local terms energy: -473.073164
where:
bonds (distance) C4'-P energy: -89.185
bonds (distance) P-C4' energy: -89.240
flat angles C4'-P-C4' energy: -101.802
flat angles P-C4'-P energy: -74.003
tors. eta vs tors. theta energy: -118.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 55
Temperature: 0.950000
Total energy: -1053.920324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1053.920324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1053.920324 (E_RNA)
where:
Base-Base interactions energy: -610.971
where: short stacking energy: -363.336
Base-Backbone interact. energy: -0.447
local terms energy: -442.501759
where:
bonds (distance) C4'-P energy: -93.279
bonds (distance) P-C4' energy: -88.149
flat angles C4'-P-C4' energy: -92.090
flat angles P-C4'-P energy: -60.233
tors. eta vs tors. theta energy: -108.751
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: 3, replica: 2
=====================================
Write number: 55
Temperature: 1.000000
Total energy: -962.697325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -962.697325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -962.697325 (E_RNA)
where:
Base-Base interactions energy: -551.117
where: short stacking energy: -335.968
Base-Backbone interact. energy: -1.906
local terms energy: -409.673936
where:
bonds (distance) C4'-P energy: -87.807
bonds (distance) P-C4' energy: -82.774
flat angles C4'-P-C4' energy: -91.092
flat angles P-C4'-P energy: -59.104
tors. eta vs tors. theta energy: -88.898
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: 6
=====================================
Write number: 55
Temperature: 1.050000
Total energy: -697.150221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -697.150221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -697.150221 (E_RNA)
where:
Base-Base interactions energy: -328.758
where: short stacking energy: -230.832
Base-Backbone interact. energy: 3.353
local terms energy: -371.745223
where:
bonds (distance) C4'-P energy: -95.886
bonds (distance) P-C4' energy: -86.871
flat angles C4'-P-C4' energy: -95.638
flat angles P-C4'-P energy: -50.779
tors. eta vs tors. theta energy: -42.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 55
Temperature: 1.100000
Total energy: -700.486403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -700.486403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -700.486403 (E_RNA)
where:
Base-Base interactions energy: -367.654
where: short stacking energy: -222.201
Base-Backbone interact. energy: 6.356
local terms energy: -339.188249
where:
bonds (distance) C4'-P energy: -74.168
bonds (distance) P-C4' energy: -82.186
flat angles C4'-P-C4' energy: -77.861
flat angles P-C4'-P energy: -59.295
tors. eta vs tors. theta energy: -45.678
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 55
Temperature: 1.150000
Total energy: -533.416142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.416142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.416142 (E_RNA)
where:
Base-Base interactions energy: -220.100
where: short stacking energy: -174.093
Base-Backbone interact. energy: 0.354
local terms energy: -313.669372
where:
bonds (distance) C4'-P energy: -79.070
bonds (distance) P-C4' energy: -84.894
flat angles C4'-P-C4' energy: -74.276
flat angles P-C4'-P energy: -59.425
tors. eta vs tors. theta energy: -16.004
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: 7, replica: 10
=====================================
Write number: 55
Temperature: 1.200000
Total energy: -529.844673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.844673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.844673 (E_RNA)
where:
Base-Base interactions energy: -225.598
where: short stacking energy: -174.326
Base-Backbone interact. energy: -2.247
local terms energy: -301.999313
where:
bonds (distance) C4'-P energy: -70.894
bonds (distance) P-C4' energy: -81.400
flat angles C4'-P-C4' energy: -77.044
flat angles P-C4'-P energy: -44.028
tors. eta vs tors. theta energy: -28.632
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: 8
=====================================
Write number: 55
Temperature: 1.250000
Total energy: -398.737918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -398.737918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -398.737918 (E_RNA)
where:
Base-Base interactions energy: -135.018
where: short stacking energy: -94.738
Base-Backbone interact. energy: 0.753
local terms energy: -264.472968
where:
bonds (distance) C4'-P energy: -81.439
bonds (distance) P-C4' energy: -93.044
flat angles C4'-P-C4' energy: -64.571
flat angles P-C4'-P energy: -42.043
tors. eta vs tors. theta energy: 16.623
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 55
Temperature: 1.300000
Total energy: -384.468129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -384.468129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -384.468129 (E_RNA)
where:
Base-Base interactions energy: -116.446
where: short stacking energy: -111.409
Base-Backbone interact. energy: -0.724
local terms energy: -267.298290
where:
bonds (distance) C4'-P energy: -70.640
bonds (distance) P-C4' energy: -88.134
flat angles C4'-P-C4' energy: -71.628
flat angles P-C4'-P energy: -42.904
tors. eta vs tors. theta energy: 6.008
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: 9
=====================================
Write number: 55
Temperature: 1.350000
Total energy: -354.298854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.298854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.298854 (E_RNA)
where:
Base-Base interactions energy: -127.130
where: short stacking energy: -107.902
Base-Backbone interact. energy: 1.642
local terms energy: -228.810812
where:
bonds (distance) C4'-P energy: -67.491
bonds (distance) P-C4' energy: -74.685
flat angles C4'-P-C4' energy: -56.496
flat angles P-C4'-P energy: -39.519
tors. eta vs tors. theta energy: 9.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 56
Temperature: 0.900000
Total energy: -1177.599483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1177.599483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1177.599483 (E_RNA)
where:
Base-Base interactions energy: -702.927
where: short stacking energy: -391.569
Base-Backbone interact. energy: -3.339
local terms energy: -471.333510
where:
bonds (distance) C4'-P energy: -93.207
bonds (distance) P-C4' energy: -106.489
flat angles C4'-P-C4' energy: -99.582
flat angles P-C4'-P energy: -59.461
tors. eta vs tors. theta energy: -112.596
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 56
Temperature: 0.950000
Total energy: -1033.310812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1033.310812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1033.310812 (E_RNA)
where:
Base-Base interactions energy: -593.804
where: short stacking energy: -365.655
Base-Backbone interact. energy: -2.089
local terms energy: -437.417858
where:
bonds (distance) C4'-P energy: -87.391
bonds (distance) P-C4' energy: -86.856
flat angles C4'-P-C4' energy: -98.097
flat angles P-C4'-P energy: -63.513
tors. eta vs tors. theta energy: -101.560
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 56
Temperature: 1.000000
Total energy: -990.441848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -990.441848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -990.441848 (E_RNA)
where:
Base-Base interactions energy: -575.882
where: short stacking energy: -352.852
Base-Backbone interact. energy: -2.894
local terms energy: -411.666088
where:
bonds (distance) C4'-P energy: -94.381
bonds (distance) P-C4' energy: -88.630
flat angles C4'-P-C4' energy: -86.204
flat angles P-C4'-P energy: -62.127
tors. eta vs tors. theta energy: -80.324
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: 56
Temperature: 1.050000
Total energy: -709.166829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -709.166829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -709.166829 (E_RNA)
where:
Base-Base interactions energy: -353.591
where: short stacking energy: -240.102
Base-Backbone interact. energy: -1.651
local terms energy: -353.925189
where:
bonds (distance) C4'-P energy: -79.865
bonds (distance) P-C4' energy: -88.844
flat angles C4'-P-C4' energy: -89.714
flat angles P-C4'-P energy: -52.395
tors. eta vs tors. theta energy: -43.108
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 56
Temperature: 1.100000
Total energy: -618.875077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -618.875077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -618.875077 (E_RNA)
where:
Base-Base interactions energy: -288.177
where: short stacking energy: -181.353
Base-Backbone interact. energy: 0.643
local terms energy: -331.340724
where:
bonds (distance) C4'-P energy: -82.788
bonds (distance) P-C4' energy: -89.448
flat angles C4'-P-C4' energy: -79.666
flat angles P-C4'-P energy: -54.107
tors. eta vs tors. theta energy: -25.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 56
Temperature: 1.150000
Total energy: -539.958904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.958904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.958904 (E_RNA)
where:
Base-Base interactions energy: -221.391
where: short stacking energy: -157.807
Base-Backbone interact. energy: 2.128
local terms energy: -320.695672
where:
bonds (distance) C4'-P energy: -83.526
bonds (distance) P-C4' energy: -98.157
flat angles C4'-P-C4' energy: -84.205
flat angles P-C4'-P energy: -42.797
tors. eta vs tors. theta energy: -12.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 56
Temperature: 1.200000
Total energy: -513.561695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.561695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.561695 (E_RNA)
where:
Base-Base interactions energy: -220.385
where: short stacking energy: -159.471
Base-Backbone interact. energy: 2.596
local terms energy: -295.772581
where:
bonds (distance) C4'-P energy: -82.630
bonds (distance) P-C4' energy: -82.964
flat angles C4'-P-C4' energy: -80.650
flat angles P-C4'-P energy: -48.646
tors. eta vs tors. theta energy: -0.883
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 56
Temperature: 1.250000
Total energy: -409.441336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -409.441336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -409.441336 (E_RNA)
where:
Base-Base interactions energy: -131.547
where: short stacking energy: -115.274
Base-Backbone interact. energy: 2.966
local terms energy: -280.860565
where:
bonds (distance) C4'-P energy: -73.612
bonds (distance) P-C4' energy: -91.546
flat angles C4'-P-C4' energy: -80.545
flat angles P-C4'-P energy: -46.960
tors. eta vs tors. theta energy: 11.803
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 56
Temperature: 1.300000
Total energy: -383.970748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -383.970748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -383.970748 (E_RNA)
where:
Base-Base interactions energy: -125.902
where: short stacking energy: -97.232
Base-Backbone interact. energy: 0.386
local terms energy: -258.454367
where:
bonds (distance) C4'-P energy: -85.568
bonds (distance) P-C4' energy: -66.044
flat angles C4'-P-C4' energy: -61.969
flat angles P-C4'-P energy: -51.097
tors. eta vs tors. theta energy: 6.224
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: 5
=====================================
Write number: 56
Temperature: 1.350000
Total energy: -366.216231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.216231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.216231 (E_RNA)
where:
Base-Base interactions energy: -132.777
where: short stacking energy: -117.399
Base-Backbone interact. energy: 0.855
local terms energy: -234.294321
where:
bonds (distance) C4'-P energy: -85.078
bonds (distance) P-C4' energy: -59.133
flat angles C4'-P-C4' energy: -60.668
flat angles P-C4'-P energy: -36.792
tors. eta vs tors. theta energy: 7.377
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: 1
=====================================
Write number: 57
Temperature: 0.900000
Total energy: -1185.375348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1185.375348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1185.375348 (E_RNA)
where:
Base-Base interactions energy: -699.357
where: short stacking energy: -407.185
Base-Backbone interact. energy: -0.316
local terms energy: -485.702351
where:
bonds (distance) C4'-P energy: -91.069
bonds (distance) P-C4' energy: -102.477
flat angles C4'-P-C4' energy: -106.122
flat angles P-C4'-P energy: -73.341
tors. eta vs tors. theta energy: -112.693
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: 4
=====================================
Write number: 57
Temperature: 0.950000
Total energy: -1044.261362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1044.261362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1044.261362 (E_RNA)
where:
Base-Base interactions energy: -597.046
where: short stacking energy: -340.459
Base-Backbone interact. energy: 0.433
local terms energy: -447.648108
where:
bonds (distance) C4'-P energy: -95.858
bonds (distance) P-C4' energy: -96.513
flat angles C4'-P-C4' energy: -102.314
flat angles P-C4'-P energy: -57.958
tors. eta vs tors. theta energy: -95.005
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: 2
=====================================
Write number: 57
Temperature: 1.000000
Total energy: -996.111089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -996.111089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -996.111089 (E_RNA)
where:
Base-Base interactions energy: -568.655
where: short stacking energy: -349.789
Base-Backbone interact. energy: -1.834
local terms energy: -425.621965
where:
bonds (distance) C4'-P energy: -82.936
bonds (distance) P-C4' energy: -94.174
flat angles C4'-P-C4' energy: -100.330
flat angles P-C4'-P energy: -56.899
tors. eta vs tors. theta energy: -91.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 57
Temperature: 1.050000
Total energy: -701.622375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -701.622375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -701.622375 (E_RNA)
where:
Base-Base interactions energy: -317.473
where: short stacking energy: -226.216
Base-Backbone interact. energy: -0.805
local terms energy: -383.344098
where:
bonds (distance) C4'-P energy: -77.592
bonds (distance) P-C4' energy: -97.526
flat angles C4'-P-C4' energy: -93.241
flat angles P-C4'-P energy: -66.886
tors. eta vs tors. theta energy: -48.099
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 57
Temperature: 1.100000
Total energy: -631.708351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -631.708351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -631.708351 (E_RNA)
where:
Base-Base interactions energy: -305.641
where: short stacking energy: -202.906
Base-Backbone interact. energy: -0.681
local terms energy: -325.385727
where:
bonds (distance) C4'-P energy: -80.726
bonds (distance) P-C4' energy: -82.155
flat angles C4'-P-C4' energy: -86.130
flat angles P-C4'-P energy: -57.717
tors. eta vs tors. theta energy: -18.657
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 57
Temperature: 1.150000
Total energy: -537.175638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.175638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.175638 (E_RNA)
where:
Base-Base interactions energy: -237.659
where: short stacking energy: -165.233
Base-Backbone interact. energy: 2.698
local terms energy: -302.214195
where:
bonds (distance) C4'-P energy: -81.819
bonds (distance) P-C4' energy: -87.650
flat angles C4'-P-C4' energy: -68.470
flat angles P-C4'-P energy: -42.734
tors. eta vs tors. theta energy: -21.542
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 57
Temperature: 1.200000
Total energy: -451.118975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -451.118975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -451.118975 (E_RNA)
where:
Base-Base interactions energy: -146.216
where: short stacking energy: -110.438
Base-Backbone interact. energy: -2.273
local terms energy: -302.629595
where:
bonds (distance) C4'-P energy: -76.041
bonds (distance) P-C4' energy: -97.938
flat angles C4'-P-C4' energy: -76.244
flat angles P-C4'-P energy: -54.169
tors. eta vs tors. theta energy: 1.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 57
Temperature: 1.250000
Total energy: -442.551053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -442.551053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -442.551053 (E_RNA)
where:
Base-Base interactions energy: -147.234
where: short stacking energy: -133.769
Base-Backbone interact. energy: -0.070
local terms energy: -295.246990
where:
bonds (distance) C4'-P energy: -73.825
bonds (distance) P-C4' energy: -85.933
flat angles C4'-P-C4' energy: -77.905
flat angles P-C4'-P energy: -46.453
tors. eta vs tors. theta energy: -11.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 57
Temperature: 1.300000
Total energy: -371.813670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.813670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.813670 (E_RNA)
where:
Base-Base interactions energy: -138.617
where: short stacking energy: -108.168
Base-Backbone interact. energy: 0.261
local terms energy: -233.457923
where:
bonds (distance) C4'-P energy: -74.615
bonds (distance) P-C4' energy: -92.913
flat angles C4'-P-C4' energy: -46.221
flat angles P-C4'-P energy: -24.326
tors. eta vs tors. theta energy: 4.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 57
Temperature: 1.350000
Total energy: -354.379387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.379387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.379387 (E_RNA)
where:
Base-Base interactions energy: -101.477
where: short stacking energy: -82.684
Base-Backbone interact. energy: 0.277
local terms energy: -253.178966
where:
bonds (distance) C4'-P energy: -74.082
bonds (distance) P-C4' energy: -84.120
flat angles C4'-P-C4' energy: -65.894
flat angles P-C4'-P energy: -47.702
tors. eta vs tors. theta energy: 18.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 58
Temperature: 0.900000
Total energy: -1198.872144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1198.872144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1198.872144 (E_RNA)
where:
Base-Base interactions energy: -730.081
where: short stacking energy: -419.514
Base-Backbone interact. energy: 2.596
local terms energy: -471.386819
where:
bonds (distance) C4'-P energy: -84.003
bonds (distance) P-C4' energy: -92.586
flat angles C4'-P-C4' energy: -105.342
flat angles P-C4'-P energy: -65.796
tors. eta vs tors. theta energy: -123.660
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: 4
=====================================
Write number: 58
Temperature: 0.950000
Total energy: -1055.824634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1055.824634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1055.824634 (E_RNA)
where:
Base-Base interactions energy: -622.172
where: short stacking energy: -342.480
Base-Backbone interact. energy: -1.141
local terms energy: -432.512505
where:
bonds (distance) C4'-P energy: -83.069
bonds (distance) P-C4' energy: -97.254
flat angles C4'-P-C4' energy: -104.021
flat angles P-C4'-P energy: -63.004
tors. eta vs tors. theta energy: -85.165
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 58
Temperature: 1.000000
Total energy: -944.786310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -944.786310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -944.786310 (E_RNA)
where:
Base-Base interactions energy: -531.387
where: short stacking energy: -323.216
Base-Backbone interact. energy: -0.526
local terms energy: -412.873075
where:
bonds (distance) C4'-P energy: -74.079
bonds (distance) P-C4' energy: -91.353
flat angles C4'-P-C4' energy: -100.577
flat angles P-C4'-P energy: -60.893
tors. eta vs tors. theta energy: -85.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 58
Temperature: 1.050000
Total energy: -655.882857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -655.882857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -655.882857 (E_RNA)
where:
Base-Base interactions energy: -306.203
where: short stacking energy: -220.666
Base-Backbone interact. energy: -1.083
local terms energy: -348.596437
where:
bonds (distance) C4'-P energy: -77.115
bonds (distance) P-C4' energy: -85.054
flat angles C4'-P-C4' energy: -83.950
flat angles P-C4'-P energy: -58.463
tors. eta vs tors. theta energy: -44.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 58
Temperature: 1.100000
Total energy: -625.448498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -625.448498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -625.448498 (E_RNA)
where:
Base-Base interactions energy: -285.017
where: short stacking energy: -213.077
Base-Backbone interact. energy: -0.651
local terms energy: -339.780592
where:
bonds (distance) C4'-P energy: -82.234
bonds (distance) P-C4' energy: -85.396
flat angles C4'-P-C4' energy: -84.737
flat angles P-C4'-P energy: -49.633
tors. eta vs tors. theta energy: -37.780
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: 6
=====================================
Write number: 58
Temperature: 1.150000
Total energy: -572.530334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -572.530334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -572.530334 (E_RNA)
where:
Base-Base interactions energy: -244.682
where: short stacking energy: -168.086
Base-Backbone interact. energy: -1.814
local terms energy: -326.033954
where:
bonds (distance) C4'-P energy: -79.437
bonds (distance) P-C4' energy: -90.661
flat angles C4'-P-C4' energy: -81.147
flat angles P-C4'-P energy: -55.544
tors. eta vs tors. theta energy: -19.245
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: 10
=====================================
Write number: 58
Temperature: 1.200000
Total energy: -422.734351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -422.734351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -422.734351 (E_RNA)
where:
Base-Base interactions energy: -160.216
where: short stacking energy: -132.989
Base-Backbone interact. energy: -2.074
local terms energy: -260.445049
where:
bonds (distance) C4'-P energy: -67.571
bonds (distance) P-C4' energy: -83.270
flat angles C4'-P-C4' energy: -64.251
flat angles P-C4'-P energy: -48.853
tors. eta vs tors. theta energy: 3.500
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 58
Temperature: 1.250000
Total energy: -424.726309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -424.726309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -424.726309 (E_RNA)
where:
Base-Base interactions energy: -140.309
where: short stacking energy: -134.432
Base-Backbone interact. energy: 6.454
local terms energy: -290.871379
where:
bonds (distance) C4'-P energy: -82.021
bonds (distance) P-C4' energy: -95.845
flat angles C4'-P-C4' energy: -81.299
flat angles P-C4'-P energy: -41.462
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: 9, replica: 5
=====================================
Write number: 58
Temperature: 1.300000
Total energy: -374.444283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -374.444283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -374.444283 (E_RNA)
where:
Base-Base interactions energy: -120.380
where: short stacking energy: -104.841
Base-Backbone interact. energy: 2.416
local terms energy: -256.480483
where:
bonds (distance) C4'-P energy: -91.936
bonds (distance) P-C4' energy: -77.436
flat angles C4'-P-C4' energy: -70.395
flat angles P-C4'-P energy: -34.313
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: 10, replica: 9
=====================================
Write number: 58
Temperature: 1.350000
Total energy: -366.901671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.901671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.901671 (E_RNA)
where:
Base-Base interactions energy: -144.891
where: short stacking energy: -128.139
Base-Backbone interact. energy: -0.957
local terms energy: -221.053989
where:
bonds (distance) C4'-P energy: -71.051
bonds (distance) P-C4' energy: -63.996
flat angles C4'-P-C4' energy: -59.764
flat angles P-C4'-P energy: -51.582
tors. eta vs tors. theta energy: 25.340
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: 1
=====================================
Write number: 59
Temperature: 0.900000
Total energy: -1194.699495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1194.699495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1194.699495 (E_RNA)
where:
Base-Base interactions energy: -720.841
where: short stacking energy: -412.947
Base-Backbone interact. energy: 2.379
local terms energy: -476.237884
where:
bonds (distance) C4'-P energy: -99.551
bonds (distance) P-C4' energy: -91.623
flat angles C4'-P-C4' energy: -98.860
flat angles P-C4'-P energy: -75.888
tors. eta vs tors. theta energy: -110.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 59
Temperature: 0.950000
Total energy: -1051.310013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1051.310013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1051.310013 (E_RNA)
where:
Base-Base interactions energy: -620.047
where: short stacking energy: -362.951
Base-Backbone interact. energy: -0.886
local terms energy: -430.377754
where:
bonds (distance) C4'-P energy: -90.929
bonds (distance) P-C4' energy: -95.360
flat angles C4'-P-C4' energy: -88.315
flat angles P-C4'-P energy: -64.091
tors. eta vs tors. theta energy: -91.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 59
Temperature: 1.000000
Total energy: -989.065958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -989.065958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -989.065958 (E_RNA)
where:
Base-Base interactions energy: -560.741
where: short stacking energy: -359.867
Base-Backbone interact. energy: -1.836
local terms energy: -426.489340
where:
bonds (distance) C4'-P energy: -82.394
bonds (distance) P-C4' energy: -81.181
flat angles C4'-P-C4' energy: -106.057
flat angles P-C4'-P energy: -64.002
tors. eta vs tors. theta energy: -92.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 59
Temperature: 1.050000
Total energy: -713.999767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -713.999767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -713.999767 (E_RNA)
where:
Base-Base interactions energy: -336.810
where: short stacking energy: -228.594
Base-Backbone interact. energy: -2.258
local terms energy: -374.931118
where:
bonds (distance) C4'-P energy: -79.681
bonds (distance) P-C4' energy: -94.097
flat angles C4'-P-C4' energy: -91.209
flat angles P-C4'-P energy: -60.809
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: 5, replica: 7
=====================================
Write number: 59
Temperature: 1.100000
Total energy: -615.759236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -615.759236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -615.759236 (E_RNA)
where:
Base-Base interactions energy: -261.203
where: short stacking energy: -212.584
Base-Backbone interact. energy: 0.752
local terms energy: -355.308008
where:
bonds (distance) C4'-P energy: -92.526
bonds (distance) P-C4' energy: -95.748
flat angles C4'-P-C4' energy: -83.606
flat angles P-C4'-P energy: -48.349
tors. eta vs tors. theta energy: -35.078
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 59
Temperature: 1.150000
Total energy: -566.582572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -566.582572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -566.582572 (E_RNA)
where:
Base-Base interactions energy: -247.176
where: short stacking energy: -201.864
Base-Backbone interact. energy: 2.777
local terms energy: -322.183294
where:
bonds (distance) C4'-P energy: -75.574
bonds (distance) P-C4' energy: -79.201
flat angles C4'-P-C4' energy: -90.624
flat angles P-C4'-P energy: -40.500
tors. eta vs tors. theta energy: -36.285
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: 10
=====================================
Write number: 59
Temperature: 1.200000
Total energy: -466.459216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -466.459216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -466.459216 (E_RNA)
where:
Base-Base interactions energy: -200.938
where: short stacking energy: -157.588
Base-Backbone interact. energy: -1.375
local terms energy: -264.146366
where:
bonds (distance) C4'-P energy: -73.890
bonds (distance) P-C4' energy: -59.562
flat angles C4'-P-C4' energy: -73.417
flat angles P-C4'-P energy: -41.135
tors. eta vs tors. theta energy: -16.142
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: 5
=====================================
Write number: 59
Temperature: 1.250000
Total energy: -414.967449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.967449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.967449 (E_RNA)
where:
Base-Base interactions energy: -148.830
where: short stacking energy: -136.066
Base-Backbone interact. energy: 0.688
local terms energy: -266.825183
where:
bonds (distance) C4'-P energy: -67.254
bonds (distance) P-C4' energy: -97.993
flat angles C4'-P-C4' energy: -61.768
flat angles P-C4'-P energy: -33.623
tors. eta vs tors. theta energy: -6.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 59
Temperature: 1.300000
Total energy: -376.314167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -376.314167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -376.314167 (E_RNA)
where:
Base-Base interactions energy: -114.692
where: short stacking energy: -112.944
Base-Backbone interact. energy: 1.164
local terms energy: -262.786061
where:
bonds (distance) C4'-P energy: -71.190
bonds (distance) P-C4' energy: -91.764
flat angles C4'-P-C4' energy: -71.691
flat angles P-C4'-P energy: -40.396
tors. eta vs tors. theta energy: 12.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 59
Temperature: 1.350000
Total energy: -382.226343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -382.226343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -382.226343 (E_RNA)
where:
Base-Base interactions energy: -123.766
where: short stacking energy: -111.481
Base-Backbone interact. energy: 0.790
local terms energy: -259.250425
where:
bonds (distance) C4'-P energy: -78.105
bonds (distance) P-C4' energy: -79.399
flat angles C4'-P-C4' energy: -64.004
flat angles P-C4'-P energy: -41.971
tors. eta vs tors. theta energy: 4.230
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 60
Temperature: 0.900000
Total energy: -1182.636767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1182.636767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1182.636767 (E_RNA)
where:
Base-Base interactions energy: -706.171
where: short stacking energy: -419.854
Base-Backbone interact. energy: -0.733
local terms energy: -475.732764
where:
bonds (distance) C4'-P energy: -81.804
bonds (distance) P-C4' energy: -97.071
flat angles C4'-P-C4' energy: -110.209
flat angles P-C4'-P energy: -62.682
tors. eta vs tors. theta energy: -123.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 60
Temperature: 0.950000
Total energy: -1067.428154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1067.428154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1067.428154 (E_RNA)
where:
Base-Base interactions energy: -608.945
where: short stacking energy: -364.544
Base-Backbone interact. energy: -0.826
local terms energy: -457.656666
where:
bonds (distance) C4'-P energy: -94.116
bonds (distance) P-C4' energy: -91.599
flat angles C4'-P-C4' energy: -105.619
flat angles P-C4'-P energy: -65.959
tors. eta vs tors. theta energy: -100.362
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: 3, replica: 2
=====================================
Write number: 60
Temperature: 1.000000
Total energy: -953.220421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -953.220421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -953.220421 (E_RNA)
where:
Base-Base interactions energy: -531.078
where: short stacking energy: -322.573
Base-Backbone interact. energy: 0.463
local terms energy: -422.604792
where:
bonds (distance) C4'-P energy: -93.584
bonds (distance) P-C4' energy: -82.677
flat angles C4'-P-C4' energy: -94.534
flat angles P-C4'-P energy: -72.648
tors. eta vs tors. theta energy: -79.163
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 60
Temperature: 1.050000
Total energy: -705.377869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -705.377869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -705.377869 (E_RNA)
where:
Base-Base interactions energy: -363.443
where: short stacking energy: -250.702
Base-Backbone interact. energy: 0.098
local terms energy: -342.032900
where:
bonds (distance) C4'-P energy: -78.391
bonds (distance) P-C4' energy: -88.427
flat angles C4'-P-C4' energy: -81.577
flat angles P-C4'-P energy: -52.390
tors. eta vs tors. theta energy: -41.247
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: 5, replica: 7
=====================================
Write number: 60
Temperature: 1.100000
Total energy: -629.905844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -629.905844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -629.905844 (E_RNA)
where:
Base-Base interactions energy: -282.476
where: short stacking energy: -185.316
Base-Backbone interact. energy: -3.282
local terms energy: -344.147314
where:
bonds (distance) C4'-P energy: -84.057
bonds (distance) P-C4' energy: -97.543
flat angles C4'-P-C4' energy: -89.957
flat angles P-C4'-P energy: -55.803
tors. eta vs tors. theta energy: -16.787
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: 6
=====================================
Write number: 60
Temperature: 1.150000
Total energy: -605.042221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -605.042221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -605.042221 (E_RNA)
where:
Base-Base interactions energy: -285.324
where: short stacking energy: -182.177
Base-Backbone interact. energy: -1.692
local terms energy: -318.026462
where:
bonds (distance) C4'-P energy: -88.905
bonds (distance) P-C4' energy: -95.139
flat angles C4'-P-C4' energy: -71.431
flat angles P-C4'-P energy: -41.806
tors. eta vs tors. theta energy: -20.746
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 60
Temperature: 1.200000
Total energy: -461.340808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -461.340808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -461.340808 (E_RNA)
where:
Base-Base interactions energy: -157.913
where: short stacking energy: -135.425
Base-Backbone interact. energy: -2.489
local terms energy: -300.939135
where:
bonds (distance) C4'-P energy: -88.196
bonds (distance) P-C4' energy: -86.278
flat angles C4'-P-C4' energy: -82.605
flat angles P-C4'-P energy: -30.128
tors. eta vs tors. theta energy: -13.733
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: 8, replica: 5
=====================================
Write number: 60
Temperature: 1.250000
Total energy: -412.230994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.230994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.230994 (E_RNA)
where:
Base-Base interactions energy: -144.393
where: short stacking energy: -135.167
Base-Backbone interact. energy: -2.138
local terms energy: -265.699789
where:
bonds (distance) C4'-P energy: -71.948
bonds (distance) P-C4' energy: -78.504
flat angles C4'-P-C4' energy: -63.910
flat angles P-C4'-P energy: -53.100
tors. eta vs tors. theta energy: 1.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 60
Temperature: 1.300000
Total energy: -365.301590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.301590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.301590 (E_RNA)
where:
Base-Base interactions energy: -117.404
where: short stacking energy: -105.988
Base-Backbone interact. energy: -2.539
local terms energy: -245.359231
where:
bonds (distance) C4'-P energy: -66.612
bonds (distance) P-C4' energy: -69.739
flat angles C4'-P-C4' energy: -68.430
flat angles P-C4'-P energy: -43.608
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: 9
=====================================
Write number: 60
Temperature: 1.350000
Total energy: -346.611347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.611347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.611347 (E_RNA)
where:
Base-Base interactions energy: -118.598
where: short stacking energy: -93.962
Base-Backbone interact. energy: -1.510
local terms energy: -226.503069
where:
bonds (distance) C4'-P energy: -67.240
bonds (distance) P-C4' energy: -78.001
flat angles C4'-P-C4' energy: -66.251
flat angles P-C4'-P energy: -43.584
tors. eta vs tors. theta energy: 28.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 61
Temperature: 0.900000
Total energy: -1197.048975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1197.048975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1197.048975 (E_RNA)
where:
Base-Base interactions energy: -706.325
where: short stacking energy: -415.784
Base-Backbone interact. energy: -1.533
local terms energy: -489.191595
where:
bonds (distance) C4'-P energy: -92.046
bonds (distance) P-C4' energy: -95.649
flat angles C4'-P-C4' energy: -100.110
flat angles P-C4'-P energy: -76.840
tors. eta vs tors. theta energy: -124.546
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: 2, replica: 4
=====================================
Write number: 61
Temperature: 0.950000
Total energy: -1046.149763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1046.149763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1046.149763 (E_RNA)
where:
Base-Base interactions energy: -597.709
where: short stacking energy: -345.997
Base-Backbone interact. energy: -0.756
local terms energy: -447.684846
where:
bonds (distance) C4'-P energy: -85.270
bonds (distance) P-C4' energy: -97.460
flat angles C4'-P-C4' energy: -100.767
flat angles P-C4'-P energy: -70.755
tors. eta vs tors. theta energy: -93.433
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: 2
=====================================
Write number: 61
Temperature: 1.000000
Total energy: -933.449207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -933.449207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -933.449207 (E_RNA)
where:
Base-Base interactions energy: -520.305
where: short stacking energy: -323.314
Base-Backbone interact. energy: -4.445
local terms energy: -408.699944
where:
bonds (distance) C4'-P energy: -89.895
bonds (distance) P-C4' energy: -87.188
flat angles C4'-P-C4' energy: -87.079
flat angles P-C4'-P energy: -65.208
tors. eta vs tors. theta energy: -79.330
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: 7
=====================================
Write number: 61
Temperature: 1.050000
Total energy: -709.086262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -709.086262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -709.086262 (E_RNA)
where:
Base-Base interactions energy: -339.419
where: short stacking energy: -246.270
Base-Backbone interact. energy: -1.778
local terms energy: -367.889770
where:
bonds (distance) C4'-P energy: -83.889
bonds (distance) P-C4' energy: -84.378
flat angles C4'-P-C4' energy: -95.994
flat angles P-C4'-P energy: -62.910
tors. eta vs tors. theta energy: -40.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 61
Temperature: 1.100000
Total energy: -676.386233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -676.386233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -676.386233 (E_RNA)
where:
Base-Base interactions energy: -350.421
where: short stacking energy: -204.567
Base-Backbone interact. energy: 2.429
local terms energy: -328.394408
where:
bonds (distance) C4'-P energy: -85.828
bonds (distance) P-C4' energy: -96.730
flat angles C4'-P-C4' energy: -85.233
flat angles P-C4'-P energy: -38.138
tors. eta vs tors. theta energy: -22.465
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: 61
Temperature: 1.150000
Total energy: -610.445939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -610.445939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -610.445939 (E_RNA)
where:
Base-Base interactions energy: -262.175
where: short stacking energy: -212.264
Base-Backbone interact. energy: -0.854
local terms energy: -347.416548
where:
bonds (distance) C4'-P energy: -80.349
bonds (distance) P-C4' energy: -91.035
flat angles C4'-P-C4' energy: -79.902
flat angles P-C4'-P energy: -49.225
tors. eta vs tors. theta energy: -46.906
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: 61
Temperature: 1.200000
Total energy: -455.471637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -455.471637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -455.471637 (E_RNA)
where:
Base-Base interactions energy: -168.857
where: short stacking energy: -146.506
Base-Backbone interact. energy: -0.254
local terms energy: -286.360374
where:
bonds (distance) C4'-P energy: -76.539
bonds (distance) P-C4' energy: -83.259
flat angles C4'-P-C4' energy: -81.796
flat angles P-C4'-P energy: -36.885
tors. eta vs tors. theta energy: -7.881
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: 5
=====================================
Write number: 61
Temperature: 1.250000
Total energy: -424.256912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -424.256912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -424.256912 (E_RNA)
where:
Base-Base interactions energy: -155.715
where: short stacking energy: -127.249
Base-Backbone interact. energy: -0.964
local terms energy: -267.578179
where:
bonds (distance) C4'-P energy: -79.544
bonds (distance) P-C4' energy: -70.317
flat angles C4'-P-C4' energy: -73.863
flat angles P-C4'-P energy: -42.416
tors. eta vs tors. theta energy: -1.439
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 61
Temperature: 1.300000
Total energy: -387.995377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -387.995377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -387.995377 (E_RNA)
where:
Base-Base interactions energy: -115.916
where: short stacking energy: -97.754
Base-Backbone interact. energy: -1.938
local terms energy: -270.141485
where:
bonds (distance) C4'-P energy: -78.435
bonds (distance) P-C4' energy: -89.873
flat angles C4'-P-C4' energy: -62.918
flat angles P-C4'-P energy: -51.133
tors. eta vs tors. theta energy: 12.217
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: 10, replica: 9
=====================================
Write number: 61
Temperature: 1.350000
Total energy: -337.862789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.862789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.862789 (E_RNA)
where:
Base-Base interactions energy: -95.737
where: short stacking energy: -91.164
Base-Backbone interact. energy: -0.597
local terms energy: -241.528690
where:
bonds (distance) C4'-P energy: -86.052
bonds (distance) P-C4' energy: -66.839
flat angles C4'-P-C4' energy: -67.633
flat angles P-C4'-P energy: -39.272
tors. eta vs tors. theta energy: 18.267
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: 1
=====================================
Write number: 62
Temperature: 0.900000
Total energy: -1191.455229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1191.455229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1191.455229 (E_RNA)
where:
Base-Base interactions energy: -712.827
where: short stacking energy: -407.614
Base-Backbone interact. energy: -1.923
local terms energy: -476.705396
where:
bonds (distance) C4'-P energy: -95.879
bonds (distance) P-C4' energy: -82.477
flat angles C4'-P-C4' energy: -104.614
flat angles P-C4'-P energy: -73.550
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: 4
=====================================
Write number: 62
Temperature: 0.950000
Total energy: -1051.113626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1051.113626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1051.113626 (E_RNA)
where:
Base-Base interactions energy: -613.669
where: short stacking energy: -352.530
Base-Backbone interact. energy: -0.772
local terms energy: -436.673227
where:
bonds (distance) C4'-P energy: -85.195
bonds (distance) P-C4' energy: -95.315
flat angles C4'-P-C4' energy: -102.963
flat angles P-C4'-P energy: -58.651
tors. eta vs tors. theta energy: -94.550
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 62
Temperature: 1.000000
Total energy: -921.425631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -921.425631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -921.425631 (E_RNA)
where:
Base-Base interactions energy: -505.550
where: short stacking energy: -300.804
Base-Backbone interact. energy: -2.030
local terms energy: -413.846003
where:
bonds (distance) C4'-P energy: -87.086
bonds (distance) P-C4' energy: -97.737
flat angles C4'-P-C4' energy: -98.032
flat angles P-C4'-P energy: -57.334
tors. eta vs tors. theta energy: -73.657
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 62
Temperature: 1.050000
Total energy: -720.090311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -720.090311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -720.090311 (E_RNA)
where:
Base-Base interactions energy: -344.328
where: short stacking energy: -231.079
Base-Backbone interact. energy: -1.149
local terms energy: -374.612787
where:
bonds (distance) C4'-P energy: -84.175
bonds (distance) P-C4' energy: -86.705
flat angles C4'-P-C4' energy: -91.959
flat angles P-C4'-P energy: -59.092
tors. eta vs tors. theta energy: -52.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 62
Temperature: 1.100000
Total energy: -674.974776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -674.974776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -674.974776 (E_RNA)
where:
Base-Base interactions energy: -315.751
where: short stacking energy: -223.933
Base-Backbone interact. energy: -0.966
local terms energy: -358.258048
where:
bonds (distance) C4'-P energy: -85.713
bonds (distance) P-C4' energy: -91.160
flat angles C4'-P-C4' energy: -81.468
flat angles P-C4'-P energy: -60.749
tors. eta vs tors. theta energy: -39.168
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: 6
=====================================
Write number: 62
Temperature: 1.150000
Total energy: -574.539528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -574.539528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -574.539528 (E_RNA)
where:
Base-Base interactions energy: -252.907
where: short stacking energy: -185.881
Base-Backbone interact. energy: -3.299
local terms energy: -318.333459
where:
bonds (distance) C4'-P energy: -86.873
bonds (distance) P-C4' energy: -80.498
flat angles C4'-P-C4' energy: -83.710
flat angles P-C4'-P energy: -41.052
tors. eta vs tors. theta energy: -26.201
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: 5
=====================================
Write number: 62
Temperature: 1.200000
Total energy: -453.812284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -453.812284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -453.812284 (E_RNA)
where:
Base-Base interactions energy: -160.612
where: short stacking energy: -146.608
Base-Backbone interact. energy: -0.519
local terms energy: -292.681276
where:
bonds (distance) C4'-P energy: -86.666
bonds (distance) P-C4' energy: -93.933
flat angles C4'-P-C4' energy: -70.903
flat angles P-C4'-P energy: -37.855
tors. eta vs tors. theta energy: -3.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 62
Temperature: 1.250000
Total energy: -414.829536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.829536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.829536 (E_RNA)
where:
Base-Base interactions energy: -150.808
where: short stacking energy: -128.260
Base-Backbone interact. energy: 0.271
local terms energy: -264.292592
where:
bonds (distance) C4'-P energy: -67.044
bonds (distance) P-C4' energy: -86.107
flat angles C4'-P-C4' energy: -76.654
flat angles P-C4'-P energy: -35.627
tors. eta vs tors. theta energy: 1.140
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: 9
=====================================
Write number: 62
Temperature: 1.300000
Total energy: -369.979570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.979570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.979570 (E_RNA)
where:
Base-Base interactions energy: -107.522
where: short stacking energy: -89.335
Base-Backbone interact. energy: 3.864
local terms energy: -266.321093
where:
bonds (distance) C4'-P energy: -85.510
bonds (distance) P-C4' energy: -78.707
flat angles C4'-P-C4' energy: -66.161
flat angles P-C4'-P energy: -45.449
tors. eta vs tors. theta energy: 9.506
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 62
Temperature: 1.350000
Total energy: -362.218270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.218270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.218270 (E_RNA)
where:
Base-Base interactions energy: -126.330
where: short stacking energy: -114.622
Base-Backbone interact. energy: 1.044
local terms energy: -236.931546
where:
bonds (distance) C4'-P energy: -81.286
bonds (distance) P-C4' energy: -70.011
flat angles C4'-P-C4' energy: -60.976
flat angles P-C4'-P energy: -29.198
tors. eta vs tors. theta energy: 4.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 63
Temperature: 0.900000
Total energy: -1192.998764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1192.998764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1192.998764 (E_RNA)
where:
Base-Base interactions energy: -731.460
where: short stacking energy: -410.528
Base-Backbone interact. energy: -1.748
local terms energy: -459.790147
where:
bonds (distance) C4'-P energy: -73.304
bonds (distance) P-C4' energy: -101.197
flat angles C4'-P-C4' energy: -98.098
flat angles P-C4'-P energy: -64.572
tors. eta vs tors. theta energy: -122.620
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 63
Temperature: 0.950000
Total energy: -1042.725912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1042.725912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1042.725912 (E_RNA)
where:
Base-Base interactions energy: -617.866
where: short stacking energy: -348.696
Base-Backbone interact. energy: -0.880
local terms energy: -423.980357
where:
bonds (distance) C4'-P energy: -96.131
bonds (distance) P-C4' energy: -91.969
flat angles C4'-P-C4' energy: -92.462
flat angles P-C4'-P energy: -56.781
tors. eta vs tors. theta energy: -86.637
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: 2
=====================================
Write number: 63
Temperature: 1.000000
Total energy: -932.012687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -932.012687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -932.012687 (E_RNA)
where:
Base-Base interactions energy: -522.474
where: short stacking energy: -317.761
Base-Backbone interact. energy: -0.059
local terms energy: -409.479546
where:
bonds (distance) C4'-P energy: -97.647
bonds (distance) P-C4' energy: -89.268
flat angles C4'-P-C4' energy: -83.170
flat angles P-C4'-P energy: -61.271
tors. eta vs tors. theta energy: -78.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 63
Temperature: 1.050000
Total energy: -763.913066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -763.913066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -763.913066 (E_RNA)
where:
Base-Base interactions energy: -388.314
where: short stacking energy: -256.000
Base-Backbone interact. energy: 0.583
local terms energy: -376.182479
where:
bonds (distance) C4'-P energy: -81.282
bonds (distance) P-C4' energy: -89.665
flat angles C4'-P-C4' energy: -87.334
flat angles P-C4'-P energy: -53.637
tors. eta vs tors. theta energy: -64.265
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: 3
=====================================
Write number: 63
Temperature: 1.100000
Total energy: -628.697072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -628.697072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -628.697072 (E_RNA)
where:
Base-Base interactions energy: -284.602
where: short stacking energy: -206.462
Base-Backbone interact. energy: -0.905
local terms energy: -343.189282
where:
bonds (distance) C4'-P energy: -85.818
bonds (distance) P-C4' energy: -80.693
flat angles C4'-P-C4' energy: -84.168
flat angles P-C4'-P energy: -54.289
tors. eta vs tors. theta energy: -38.221
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 63
Temperature: 1.150000
Total energy: -572.022906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -572.022906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -572.022906 (E_RNA)
where:
Base-Base interactions energy: -280.717
where: short stacking energy: -188.600
Base-Backbone interact. energy: 0.628
local terms energy: -291.934319
where:
bonds (distance) C4'-P energy: -74.422
bonds (distance) P-C4' energy: -75.706
flat angles C4'-P-C4' energy: -76.142
flat angles P-C4'-P energy: -50.138
tors. eta vs tors. theta energy: -15.527
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 63
Temperature: 1.200000
Total energy: -518.427112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.427112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.427112 (E_RNA)
where:
Base-Base interactions energy: -218.569
where: short stacking energy: -157.608
Base-Backbone interact. energy: -1.826
local terms energy: -298.032034
where:
bonds (distance) C4'-P energy: -77.830
bonds (distance) P-C4' energy: -71.523
flat angles C4'-P-C4' energy: -81.908
flat angles P-C4'-P energy: -41.576
tors. eta vs tors. theta energy: -25.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 63
Temperature: 1.250000
Total energy: -404.259575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -404.259575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -404.259575 (E_RNA)
where:
Base-Base interactions energy: -142.361
where: short stacking energy: -124.140
Base-Backbone interact. energy: 3.552
local terms energy: -265.449967
where:
bonds (distance) C4'-P energy: -63.056
bonds (distance) P-C4' energy: -79.694
flat angles C4'-P-C4' energy: -64.820
flat angles P-C4'-P energy: -56.171
tors. eta vs tors. theta energy: -1.708
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: 9, replica: 10
=====================================
Write number: 63
Temperature: 1.300000
Total energy: -370.386057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.386057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.386057 (E_RNA)
where:
Base-Base interactions energy: -107.214
where: short stacking energy: -96.260
Base-Backbone interact. energy: 0.090
local terms energy: -263.262756
where:
bonds (distance) C4'-P energy: -76.567
bonds (distance) P-C4' energy: -80.736
flat angles C4'-P-C4' energy: -61.078
flat angles P-C4'-P energy: -48.066
tors. eta vs tors. theta energy: 3.184
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: 10, replica: 8
=====================================
Write number: 63
Temperature: 1.350000
Total energy: -340.857716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.857716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.857716 (E_RNA)
where:
Base-Base interactions energy: -106.922
where: short stacking energy: -100.118
Base-Backbone interact. energy: 0.682
local terms energy: -234.618167
where:
bonds (distance) C4'-P energy: -75.449
bonds (distance) P-C4' energy: -64.316
flat angles C4'-P-C4' energy: -69.003
flat angles P-C4'-P energy: -44.147
tors. eta vs tors. theta energy: 18.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 64
Temperature: 0.900000
Total energy: -1193.761093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1193.761093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1193.761093 (E_RNA)
where:
Base-Base interactions energy: -733.225
where: short stacking energy: -413.854
Base-Backbone interact. energy: -2.674
local terms energy: -457.862176
where:
bonds (distance) C4'-P energy: -106.381
bonds (distance) P-C4' energy: -70.148
flat angles C4'-P-C4' energy: -93.756
flat angles P-C4'-P energy: -68.218
tors. eta vs tors. theta energy: -119.358
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: 4
=====================================
Write number: 64
Temperature: 0.950000
Total energy: -1013.884788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1013.884788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1013.884788 (E_RNA)
where:
Base-Base interactions energy: -613.616
where: short stacking energy: -318.015
Base-Backbone interact. energy: 2.969
local terms energy: -403.237721
where:
bonds (distance) C4'-P energy: -92.729
bonds (distance) P-C4' energy: -85.523
flat angles C4'-P-C4' energy: -94.780
flat angles P-C4'-P energy: -53.639
tors. eta vs tors. theta energy: -76.566
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: 64
Temperature: 1.000000
Total energy: -898.305537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -898.305537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -898.305537 (E_RNA)
where:
Base-Base interactions energy: -497.138
where: short stacking energy: -309.038
Base-Backbone interact. energy: -1.141
local terms energy: -400.026732
where:
bonds (distance) C4'-P energy: -81.573
bonds (distance) P-C4' energy: -93.912
flat angles C4'-P-C4' energy: -87.423
flat angles P-C4'-P energy: -63.899
tors. eta vs tors. theta energy: -73.219
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: 7
=====================================
Write number: 64
Temperature: 1.050000
Total energy: -802.205868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -802.205868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -802.205868 (E_RNA)
where:
Base-Base interactions energy: -424.592
where: short stacking energy: -286.196
Base-Backbone interact. energy: 0.488
local terms energy: -378.102687
where:
bonds (distance) C4'-P energy: -82.588
bonds (distance) P-C4' energy: -88.262
flat angles C4'-P-C4' energy: -80.037
flat angles P-C4'-P energy: -49.797
tors. eta vs tors. theta energy: -77.419
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: 6
=====================================
Write number: 64
Temperature: 1.100000
Total energy: -627.262219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -627.262219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -627.262219 (E_RNA)
where:
Base-Base interactions energy: -319.379
where: short stacking energy: -204.913
Base-Backbone interact. energy: -1.270
local terms energy: -306.613032
where:
bonds (distance) C4'-P energy: -67.785
bonds (distance) P-C4' energy: -74.860
flat angles C4'-P-C4' energy: -89.456
flat angles P-C4'-P energy: -34.539
tors. eta vs tors. theta energy: -39.974
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: 6, replica: 3
=====================================
Write number: 64
Temperature: 1.150000
Total energy: -593.122446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -593.122446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -593.122446 (E_RNA)
where:
Base-Base interactions energy: -252.025
where: short stacking energy: -195.027
Base-Backbone interact. energy: -2.261
local terms energy: -338.836447
where:
bonds (distance) C4'-P energy: -96.126
bonds (distance) P-C4' energy: -94.749
flat angles C4'-P-C4' energy: -72.560
flat angles P-C4'-P energy: -47.891
tors. eta vs tors. theta energy: -27.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 64
Temperature: 1.200000
Total energy: -537.235518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.235518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.235518 (E_RNA)
where:
Base-Base interactions energy: -262.515
where: short stacking energy: -182.340
Base-Backbone interact. energy: -0.845
local terms energy: -273.875010
where:
bonds (distance) C4'-P energy: -74.398
bonds (distance) P-C4' energy: -76.013
flat angles C4'-P-C4' energy: -65.671
flat angles P-C4'-P energy: -44.638
tors. eta vs tors. theta energy: -13.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 64
Temperature: 1.250000
Total energy: -428.390097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -428.390097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -428.390097 (E_RNA)
where:
Base-Base interactions energy: -161.683
where: short stacking energy: -146.216
Base-Backbone interact. energy: -2.128
local terms energy: -264.579731
where:
bonds (distance) C4'-P energy: -74.996
bonds (distance) P-C4' energy: -82.940
flat angles C4'-P-C4' energy: -70.680
flat angles P-C4'-P energy: -34.345
tors. eta vs tors. theta energy: -1.619
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 64
Temperature: 1.300000
Total energy: -371.537514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.537514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.537514 (E_RNA)
where:
Base-Base interactions energy: -112.191
where: short stacking energy: -104.331
Base-Backbone interact. energy: 4.018
local terms energy: -263.364787
where:
bonds (distance) C4'-P energy: -87.864
bonds (distance) P-C4' energy: -80.630
flat angles C4'-P-C4' energy: -62.667
flat angles P-C4'-P energy: -46.896
tors. eta vs tors. theta energy: 14.692
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 64
Temperature: 1.350000
Total energy: -354.303684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.303684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.303684 (E_RNA)
where:
Base-Base interactions energy: -112.882
where: short stacking energy: -92.974
Base-Backbone interact. energy: -0.060
local terms energy: -241.361633
where:
bonds (distance) C4'-P energy: -69.517
bonds (distance) P-C4' energy: -71.186
flat angles C4'-P-C4' energy: -72.454
flat angles P-C4'-P energy: -42.614
tors. eta vs tors. theta energy: 14.410
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: 65
Temperature: 0.900000
Total energy: -1219.595173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1219.595173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1219.595173 (E_RNA)
where:
Base-Base interactions energy: -745.261
where: short stacking energy: -429.453
Base-Backbone interact. energy: -2.019
local terms energy: -472.315166
where:
bonds (distance) C4'-P energy: -92.965
bonds (distance) P-C4' energy: -94.819
flat angles C4'-P-C4' energy: -106.257
flat angles P-C4'-P energy: -66.069
tors. eta vs tors. theta energy: -112.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 65
Temperature: 0.950000
Total energy: -1024.477599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1024.477599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1024.477599 (E_RNA)
where:
Base-Base interactions energy: -598.520
where: short stacking energy: -335.412
Base-Backbone interact. energy: -0.488
local terms energy: -425.470303
where:
bonds (distance) C4'-P energy: -89.644
bonds (distance) P-C4' energy: -89.575
flat angles C4'-P-C4' energy: -98.022
flat angles P-C4'-P energy: -65.139
tors. eta vs tors. theta energy: -83.090
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: 2
=====================================
Write number: 65
Temperature: 1.000000
Total energy: -962.460174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -962.460174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -962.460174 (E_RNA)
where:
Base-Base interactions energy: -544.238
where: short stacking energy: -335.692
Base-Backbone interact. energy: -1.937
local terms energy: -416.285357
where:
bonds (distance) C4'-P energy: -75.253
bonds (distance) P-C4' energy: -81.791
flat angles C4'-P-C4' energy: -100.385
flat angles P-C4'-P energy: -70.655
tors. eta vs tors. theta energy: -88.202
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 65
Temperature: 1.050000
Total energy: -782.602899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -782.602899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -782.602899 (E_RNA)
where:
Base-Base interactions energy: -409.420
where: short stacking energy: -256.685
Base-Backbone interact. energy: -0.577
local terms energy: -372.605526
where:
bonds (distance) C4'-P energy: -86.603
bonds (distance) P-C4' energy: -90.702
flat angles C4'-P-C4' energy: -81.281
flat angles P-C4'-P energy: -52.886
tors. eta vs tors. theta energy: -61.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 65
Temperature: 1.100000
Total energy: -691.985106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -691.985106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -691.985106 (E_RNA)
where:
Base-Base interactions energy: -333.986
where: short stacking energy: -253.733
Base-Backbone interact. energy: -0.337
local terms energy: -357.661650
where:
bonds (distance) C4'-P energy: -71.045
bonds (distance) P-C4' energy: -82.185
flat angles C4'-P-C4' energy: -93.325
flat angles P-C4'-P energy: -59.413
tors. eta vs tors. theta energy: -51.694
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 65
Temperature: 1.150000
Total energy: -598.657120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -598.657120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -598.657120 (E_RNA)
where:
Base-Base interactions energy: -252.443
where: short stacking energy: -178.009
Base-Backbone interact. energy: -0.778
local terms energy: -345.435708
where:
bonds (distance) C4'-P energy: -91.499
bonds (distance) P-C4' energy: -93.791
flat angles C4'-P-C4' energy: -78.537
flat angles P-C4'-P energy: -50.406
tors. eta vs tors. theta energy: -31.202
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 65
Temperature: 1.200000
Total energy: -540.169661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.169661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.169661 (E_RNA)
where:
Base-Base interactions energy: -236.187
where: short stacking energy: -197.215
Base-Backbone interact. energy: -0.170
local terms energy: -303.812533
where:
bonds (distance) C4'-P energy: -76.057
bonds (distance) P-C4' energy: -79.200
flat angles C4'-P-C4' energy: -79.768
flat angles P-C4'-P energy: -38.979
tors. eta vs tors. theta energy: -29.808
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 65
Temperature: 1.250000
Total energy: -393.618873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.618873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -393.618873 (E_RNA)
where:
Base-Base interactions energy: -146.247
where: short stacking energy: -113.800
Base-Backbone interact. energy: -0.147
local terms energy: -247.224258
where:
bonds (distance) C4'-P energy: -82.417
bonds (distance) P-C4' energy: -77.380
flat angles C4'-P-C4' energy: -70.599
flat angles P-C4'-P energy: -35.594
tors. eta vs tors. theta energy: 18.766
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: 65
Temperature: 1.300000
Total energy: -384.926400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -384.926400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -384.926400 (E_RNA)
where:
Base-Base interactions energy: -116.973
where: short stacking energy: -105.997
Base-Backbone interact. energy: 1.977
local terms energy: -269.930195
where:
bonds (distance) C4'-P energy: -77.044
bonds (distance) P-C4' energy: -81.904
flat angles C4'-P-C4' energy: -66.152
flat angles P-C4'-P energy: -43.779
tors. eta vs tors. theta energy: -1.051
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: 10, replica: 10
=====================================
Write number: 65
Temperature: 1.350000
Total energy: -349.623406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.623406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.623406 (E_RNA)
where:
Base-Base interactions energy: -128.099
where: short stacking energy: -107.851
Base-Backbone interact. energy: 3.650
local terms energy: -225.175151
where:
bonds (distance) C4'-P energy: -73.112
bonds (distance) P-C4' energy: -78.467
flat angles C4'-P-C4' energy: -65.685
flat angles P-C4'-P energy: -37.768
tors. eta vs tors. theta energy: 29.858
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 66
Temperature: 0.900000
Total energy: -1237.545963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1237.545963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1237.545963 (E_RNA)
where:
Base-Base interactions energy: -745.570
where: short stacking energy: -420.170
Base-Backbone interact. energy: -2.406
local terms energy: -489.569708
where:
bonds (distance) C4'-P energy: -99.146
bonds (distance) P-C4' energy: -102.278
flat angles C4'-P-C4' energy: -100.460
flat angles P-C4'-P energy: -66.140
tors. eta vs tors. theta energy: -121.546
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: 2, replica: 4
=====================================
Write number: 66
Temperature: 0.950000
Total energy: -1021.523546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1021.523546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1021.523546 (E_RNA)
where:
Base-Base interactions energy: -587.534
where: short stacking energy: -334.191
Base-Backbone interact. energy: -1.140
local terms energy: -432.849940
where:
bonds (distance) C4'-P energy: -85.718
bonds (distance) P-C4' energy: -100.381
flat angles C4'-P-C4' energy: -96.152
flat angles P-C4'-P energy: -64.552
tors. eta vs tors. theta energy: -86.046
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 66
Temperature: 1.000000
Total energy: -1007.085858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1007.085858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1007.085858 (E_RNA)
where:
Base-Base interactions energy: -576.202
where: short stacking energy: -333.110
Base-Backbone interact. energy: -0.064
local terms energy: -430.820278
where:
bonds (distance) C4'-P energy: -91.347
bonds (distance) P-C4' energy: -92.699
flat angles C4'-P-C4' energy: -97.393
flat angles P-C4'-P energy: -64.163
tors. eta vs tors. theta energy: -85.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 66
Temperature: 1.050000
Total energy: -800.033328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -800.033328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -800.033328 (E_RNA)
where:
Base-Base interactions energy: -408.816
where: short stacking energy: -264.548
Base-Backbone interact. energy: -1.467
local terms energy: -389.750457
where:
bonds (distance) C4'-P energy: -84.314
bonds (distance) P-C4' energy: -98.651
flat angles C4'-P-C4' energy: -99.566
flat angles P-C4'-P energy: -45.746
tors. eta vs tors. theta energy: -61.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 66
Temperature: 1.100000
Total energy: -649.314125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -649.314125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -649.314125 (E_RNA)
where:
Base-Base interactions energy: -302.258
where: short stacking energy: -225.506
Base-Backbone interact. energy: -1.108
local terms energy: -345.948534
where:
bonds (distance) C4'-P energy: -80.462
bonds (distance) P-C4' energy: -97.979
flat angles C4'-P-C4' energy: -80.540
flat angles P-C4'-P energy: -39.691
tors. eta vs tors. theta energy: -47.277
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: 6, replica: 3
=====================================
Write number: 66
Temperature: 1.150000
Total energy: -541.403593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.403593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.403593 (E_RNA)
where:
Base-Base interactions energy: -226.193
where: short stacking energy: -155.294
Base-Backbone interact. energy: -1.209
local terms energy: -314.002335
where:
bonds (distance) C4'-P energy: -86.578
bonds (distance) P-C4' energy: -84.614
flat angles C4'-P-C4' energy: -79.384
flat angles P-C4'-P energy: -43.436
tors. eta vs tors. theta energy: -19.991
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 66
Temperature: 1.200000
Total energy: -511.896638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.896638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.896638 (E_RNA)
where:
Base-Base interactions energy: -206.292
where: short stacking energy: -165.873
Base-Backbone interact. energy: -0.172
local terms energy: -305.432111
where:
bonds (distance) C4'-P energy: -82.960
bonds (distance) P-C4' energy: -75.628
flat angles C4'-P-C4' energy: -84.505
flat angles P-C4'-P energy: -53.352
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: 8
=====================================
Write number: 66
Temperature: 1.250000
Total energy: -428.609748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -428.609748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -428.609748 (E_RNA)
where:
Base-Base interactions energy: -156.957
where: short stacking energy: -148.070
Base-Backbone interact. energy: 0.291
local terms energy: -271.943743
where:
bonds (distance) C4'-P energy: -82.936
bonds (distance) P-C4' energy: -72.873
flat angles C4'-P-C4' energy: -62.232
flat angles P-C4'-P energy: -37.491
tors. eta vs tors. theta energy: -16.412
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 66
Temperature: 1.300000
Total energy: -383.526827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -383.526827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -383.526827 (E_RNA)
where:
Base-Base interactions energy: -128.190
where: short stacking energy: -113.168
Base-Backbone interact. energy: -2.459
local terms energy: -252.877999
where:
bonds (distance) C4'-P energy: -86.333
bonds (distance) P-C4' energy: -81.586
flat angles C4'-P-C4' energy: -66.008
flat angles P-C4'-P energy: -31.224
tors. eta vs tors. theta energy: 12.274
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 66
Temperature: 1.350000
Total energy: -326.074512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.074512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.074512 (E_RNA)
where:
Base-Base interactions energy: -92.494
where: short stacking energy: -89.242
Base-Backbone interact. energy: 2.748
local terms energy: -236.327856
where:
bonds (distance) C4'-P energy: -63.157
bonds (distance) P-C4' energy: -82.905
flat angles C4'-P-C4' energy: -68.279
flat angles P-C4'-P energy: -41.999
tors. eta vs tors. theta energy: 20.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 67
Temperature: 0.900000
Total energy: -1270.995721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1270.995721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1270.995721 (E_RNA)
where:
Base-Base interactions energy: -777.332
where: short stacking energy: -446.071
Base-Backbone interact. energy: -0.589
local terms energy: -493.074352
where:
bonds (distance) C4'-P energy: -85.435
bonds (distance) P-C4' energy: -106.454
flat angles C4'-P-C4' energy: -100.077
flat angles P-C4'-P energy: -68.475
tors. eta vs tors. theta energy: -132.634
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 67
Temperature: 0.950000
Total energy: -1061.650991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1061.650991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1061.650991 (E_RNA)
where:
Base-Base interactions energy: -607.838
where: short stacking energy: -364.547
Base-Backbone interact. energy: 1.556
local terms energy: -455.368933
where:
bonds (distance) C4'-P energy: -101.806
bonds (distance) P-C4' energy: -91.027
flat angles C4'-P-C4' energy: -99.828
flat angles P-C4'-P energy: -62.140
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: 4
=====================================
Write number: 67
Temperature: 1.000000
Total energy: -957.917053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -957.917053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -957.917053 (E_RNA)
where:
Base-Base interactions energy: -552.143
where: short stacking energy: -307.795
Base-Backbone interact. energy: 1.062
local terms energy: -406.835986
where:
bonds (distance) C4'-P energy: -86.999
bonds (distance) P-C4' energy: -93.548
flat angles C4'-P-C4' energy: -89.041
flat angles P-C4'-P energy: -53.924
tors. eta vs tors. theta energy: -83.324
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: 7
=====================================
Write number: 67
Temperature: 1.050000
Total energy: -800.623575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -800.623575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -800.623575 (E_RNA)
where:
Base-Base interactions energy: -414.111
where: short stacking energy: -265.398
Base-Backbone interact. energy: 7.311
local terms energy: -393.823730
where:
bonds (distance) C4'-P energy: -85.422
bonds (distance) P-C4' energy: -96.870
flat angles C4'-P-C4' energy: -83.072
flat angles P-C4'-P energy: -62.289
tors. eta vs tors. theta energy: -66.171
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 67
Temperature: 1.100000
Total energy: -636.854230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -636.854230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -636.854230 (E_RNA)
where:
Base-Base interactions energy: -329.481
where: short stacking energy: -225.515
Base-Backbone interact. energy: 2.356
local terms energy: -309.728734
where:
bonds (distance) C4'-P energy: -76.077
bonds (distance) P-C4' energy: -85.198
flat angles C4'-P-C4' energy: -77.895
flat angles P-C4'-P energy: -46.140
tors. eta vs tors. theta energy: -24.419
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 67
Temperature: 1.150000
Total energy: -577.101865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -577.101865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -577.101865 (E_RNA)
where:
Base-Base interactions energy: -257.687
where: short stacking energy: -170.889
Base-Backbone interact. energy: -0.123
local terms energy: -319.292160
where:
bonds (distance) C4'-P energy: -86.517
bonds (distance) P-C4' energy: -85.297
flat angles C4'-P-C4' energy: -72.770
flat angles P-C4'-P energy: -45.766
tors. eta vs tors. theta energy: -28.942
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 67
Temperature: 1.200000
Total energy: -514.295146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.295146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.295146 (E_RNA)
where:
Base-Base interactions energy: -234.262
where: short stacking energy: -177.631
Base-Backbone interact. energy: 1.926
local terms energy: -281.960054
where:
bonds (distance) C4'-P energy: -73.597
bonds (distance) P-C4' energy: -77.879
flat angles C4'-P-C4' energy: -69.277
flat angles P-C4'-P energy: -39.361
tors. eta vs tors. theta energy: -21.846
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 67
Temperature: 1.250000
Total energy: -404.972244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -404.972244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -404.972244 (E_RNA)
where:
Base-Base interactions energy: -145.497
where: short stacking energy: -143.744
Base-Backbone interact. energy: 0.534
local terms energy: -260.008954
where:
bonds (distance) C4'-P energy: -79.281
bonds (distance) P-C4' energy: -84.468
flat angles C4'-P-C4' energy: -66.880
flat angles P-C4'-P energy: -38.116
tors. eta vs tors. theta energy: 8.737
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: 9
=====================================
Write number: 67
Temperature: 1.300000
Total energy: -405.939361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -405.939361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -405.939361 (E_RNA)
where:
Base-Base interactions energy: -144.406
where: short stacking energy: -112.456
Base-Backbone interact. energy: 0.422
local terms energy: -261.955858
where:
bonds (distance) C4'-P energy: -77.785
bonds (distance) P-C4' energy: -80.646
flat angles C4'-P-C4' energy: -78.846
flat angles P-C4'-P energy: -32.844
tors. eta vs tors. theta energy: 8.165
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 67
Temperature: 1.350000
Total energy: -352.270892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.270892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.270892 (E_RNA)
where:
Base-Base interactions energy: -113.359
where: short stacking energy: -100.069
Base-Backbone interact. energy: -2.595
local terms energy: -236.316915
where:
bonds (distance) C4'-P energy: -79.764
bonds (distance) P-C4' energy: -79.284
flat angles C4'-P-C4' energy: -55.866
flat angles P-C4'-P energy: -38.265
tors. eta vs tors. theta energy: 16.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 68
Temperature: 0.900000
Total energy: -1250.226076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1250.226076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1250.226076 (E_RNA)
where:
Base-Base interactions energy: -761.366
where: short stacking energy: -423.798
Base-Backbone interact. energy: -1.714
local terms energy: -487.146017
where:
bonds (distance) C4'-P energy: -97.439
bonds (distance) P-C4' energy: -90.072
flat angles C4'-P-C4' energy: -106.787
flat angles P-C4'-P energy: -74.863
tors. eta vs tors. theta energy: -117.985
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 68
Temperature: 0.950000
Total energy: -1072.010309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1072.010309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1072.010309 (E_RNA)
where:
Base-Base interactions energy: -611.369
where: short stacking energy: -394.587
Base-Backbone interact. energy: 1.029
local terms energy: -461.670596
where:
bonds (distance) C4'-P energy: -85.490
bonds (distance) P-C4' energy: -103.365
flat angles C4'-P-C4' energy: -100.422
flat angles P-C4'-P energy: -61.000
tors. eta vs tors. theta energy: -111.393
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: 4
=====================================
Write number: 68
Temperature: 1.000000
Total energy: -938.217422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -938.217422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -938.217422 (E_RNA)
where:
Base-Base interactions energy: -524.512
where: short stacking energy: -295.872
Base-Backbone interact. energy: -3.255
local terms energy: -410.450250
where:
bonds (distance) C4'-P energy: -87.850
bonds (distance) P-C4' energy: -95.605
flat angles C4'-P-C4' energy: -91.099
flat angles P-C4'-P energy: -64.323
tors. eta vs tors. theta energy: -71.573
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 68
Temperature: 1.050000
Total energy: -747.944640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -747.944640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -747.944640 (E_RNA)
where:
Base-Base interactions energy: -379.335
where: short stacking energy: -255.981
Base-Backbone interact. energy: -0.937
local terms energy: -367.672949
where:
bonds (distance) C4'-P energy: -75.543
bonds (distance) P-C4' energy: -92.539
flat angles C4'-P-C4' energy: -88.608
flat angles P-C4'-P energy: -55.757
tors. eta vs tors. theta energy: -55.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 68
Temperature: 1.100000
Total energy: -646.433895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -646.433895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -646.433895 (E_RNA)
where:
Base-Base interactions energy: -321.874
where: short stacking energy: -212.017
Base-Backbone interact. energy: -1.497
local terms energy: -323.062278
where:
bonds (distance) C4'-P energy: -67.200
bonds (distance) P-C4' energy: -89.709
flat angles C4'-P-C4' energy: -91.768
flat angles P-C4'-P energy: -49.828
tors. eta vs tors. theta energy: -24.557
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 68
Temperature: 1.150000
Total energy: -572.311023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -572.311023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -572.311023 (E_RNA)
where:
Base-Base interactions energy: -262.962
where: short stacking energy: -184.329
Base-Backbone interact. energy: -0.094
local terms energy: -309.254897
where:
bonds (distance) C4'-P energy: -73.418
bonds (distance) P-C4' energy: -82.676
flat angles C4'-P-C4' energy: -67.897
flat angles P-C4'-P energy: -50.290
tors. eta vs tors. theta energy: -34.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 68
Temperature: 1.200000
Total energy: -476.950009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.950009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.950009 (E_RNA)
where:
Base-Base interactions energy: -174.923
where: short stacking energy: -149.797
Base-Backbone interact. energy: -1.183
local terms energy: -300.844409
where:
bonds (distance) C4'-P energy: -75.377
bonds (distance) P-C4' energy: -92.576
flat angles C4'-P-C4' energy: -63.978
flat angles P-C4'-P energy: -59.278
tors. eta vs tors. theta energy: -9.636
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: 8, replica: 8
=====================================
Write number: 68
Temperature: 1.250000
Total energy: -426.497981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -426.497981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -426.497981 (E_RNA)
where:
Base-Base interactions energy: -152.191
where: short stacking energy: -144.590
Base-Backbone interact. energy: -0.098
local terms energy: -274.208775
where:
bonds (distance) C4'-P energy: -72.972
bonds (distance) P-C4' energy: -83.764
flat angles C4'-P-C4' energy: -59.118
flat angles P-C4'-P energy: -51.129
tors. eta vs tors. theta energy: -7.225
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 68
Temperature: 1.300000
Total energy: -387.667731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -387.667731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -387.667731 (E_RNA)
where:
Base-Base interactions energy: -119.255
where: short stacking energy: -97.866
Base-Backbone interact. energy: -0.482
local terms energy: -267.931334
where:
bonds (distance) C4'-P energy: -80.129
bonds (distance) P-C4' energy: -76.530
flat angles C4'-P-C4' energy: -80.003
flat angles P-C4'-P energy: -46.839
tors. eta vs tors. theta energy: 15.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 68
Temperature: 1.350000
Total energy: -394.828494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -394.828494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -394.828494 (E_RNA)
where:
Base-Base interactions energy: -146.910
where: short stacking energy: -116.938
Base-Backbone interact. energy: 0.499
local terms energy: -248.416961
where:
bonds (distance) C4'-P energy: -81.216
bonds (distance) P-C4' energy: -87.861
flat angles C4'-P-C4' energy: -62.652
flat angles P-C4'-P energy: -18.099
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: 1, replica: 1
=====================================
Write number: 69
Temperature: 0.900000
Total energy: -1225.957778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1225.957778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1225.957778 (E_RNA)
where:
Base-Base interactions energy: -754.670
where: short stacking energy: -427.015
Base-Backbone interact. energy: -3.270
local terms energy: -468.017153
where:
bonds (distance) C4'-P energy: -78.947
bonds (distance) P-C4' energy: -88.049
flat angles C4'-P-C4' energy: -106.892
flat angles P-C4'-P energy: -67.043
tors. eta vs tors. theta energy: -127.086
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: 2, replica: 2
=====================================
Write number: 69
Temperature: 0.950000
Total energy: -1090.417896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1090.417896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1090.417896 (E_RNA)
where:
Base-Base interactions energy: -631.688
where: short stacking energy: -407.202
Base-Backbone interact. energy: -1.176
local terms energy: -457.553795
where:
bonds (distance) C4'-P energy: -84.863
bonds (distance) P-C4' energy: -95.709
flat angles C4'-P-C4' energy: -97.935
flat angles P-C4'-P energy: -62.675
tors. eta vs tors. theta energy: -116.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 69
Temperature: 1.000000
Total energy: -953.281456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -953.281456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -953.281456 (E_RNA)
where:
Base-Base interactions energy: -544.880
where: short stacking energy: -304.353
Base-Backbone interact. energy: 0.484
local terms energy: -408.885719
where:
bonds (distance) C4'-P energy: -94.521
bonds (distance) P-C4' energy: -85.112
flat angles C4'-P-C4' energy: -91.278
flat angles P-C4'-P energy: -54.576
tors. eta vs tors. theta energy: -83.399
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: 7
=====================================
Write number: 69
Temperature: 1.050000
Total energy: -785.112461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -785.112461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -785.112461 (E_RNA)
where:
Base-Base interactions energy: -395.169
where: short stacking energy: -271.603
Base-Backbone interact. energy: -1.166
local terms energy: -388.777847
where:
bonds (distance) C4'-P energy: -93.315
bonds (distance) P-C4' energy: -78.591
flat angles C4'-P-C4' energy: -95.175
flat angles P-C4'-P energy: -54.992
tors. eta vs tors. theta energy: -66.705
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: 69
Temperature: 1.100000
Total energy: -676.702167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -676.702167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -676.702167 (E_RNA)
where:
Base-Base interactions energy: -335.631
where: short stacking energy: -218.393
Base-Backbone interact. energy: 1.641
local terms energy: -342.712955
where:
bonds (distance) C4'-P energy: -93.241
bonds (distance) P-C4' energy: -76.277
flat angles C4'-P-C4' energy: -82.045
flat angles P-C4'-P energy: -46.395
tors. eta vs tors. theta energy: -44.754
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 69
Temperature: 1.150000
Total energy: -579.542763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -579.542763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -579.542763 (E_RNA)
where:
Base-Base interactions energy: -240.934
where: short stacking energy: -188.379
Base-Backbone interact. energy: -1.285
local terms energy: -337.323658
where:
bonds (distance) C4'-P energy: -86.192
bonds (distance) P-C4' energy: -84.800
flat angles C4'-P-C4' energy: -83.328
flat angles P-C4'-P energy: -40.340
tors. eta vs tors. theta energy: -42.663
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 69
Temperature: 1.200000
Total energy: -444.361376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -444.361376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -444.361376 (E_RNA)
where:
Base-Base interactions energy: -153.595
where: short stacking energy: -136.832
Base-Backbone interact. energy: -0.102
local terms energy: -290.664008
where:
bonds (distance) C4'-P energy: -84.805
bonds (distance) P-C4' energy: -84.444
flat angles C4'-P-C4' energy: -79.928
flat angles P-C4'-P energy: -36.839
tors. eta vs tors. theta energy: -4.648
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 69
Temperature: 1.250000
Total energy: -439.483768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -439.483768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -439.483768 (E_RNA)
where:
Base-Base interactions energy: -171.878
where: short stacking energy: -152.907
Base-Backbone interact. energy: 3.295
local terms energy: -270.901016
where:
bonds (distance) C4'-P energy: -84.480
bonds (distance) P-C4' energy: -81.904
flat angles C4'-P-C4' energy: -65.637
flat angles P-C4'-P energy: -32.769
tors. eta vs tors. theta energy: -6.111
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 69
Temperature: 1.300000
Total energy: -381.788049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -381.788049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -381.788049 (E_RNA)
where:
Base-Base interactions energy: -129.068
where: short stacking energy: -114.619
Base-Backbone interact. energy: 6.566
local terms energy: -259.286329
where:
bonds (distance) C4'-P energy: -60.825
bonds (distance) P-C4' energy: -77.096
flat angles C4'-P-C4' energy: -81.490
flat angles P-C4'-P energy: -44.026
tors. eta vs tors. theta energy: 4.150
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: 10
=====================================
Write number: 69
Temperature: 1.350000
Total energy: -364.857578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.857578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.857578 (E_RNA)
where:
Base-Base interactions energy: -119.512
where: short stacking energy: -113.696
Base-Backbone interact. energy: 1.764
local terms energy: -247.108781
where:
bonds (distance) C4'-P energy: -74.737
bonds (distance) P-C4' energy: -86.690
flat angles C4'-P-C4' energy: -74.626
flat angles P-C4'-P energy: -34.197
tors. eta vs tors. theta energy: 23.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 70
Temperature: 0.900000
Total energy: -1237.269227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1237.269227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1237.269227 (E_RNA)
where:
Base-Base interactions energy: -744.814
where: short stacking energy: -417.569
Base-Backbone interact. energy: -1.467
local terms energy: -490.987811
where:
bonds (distance) C4'-P energy: -99.046
bonds (distance) P-C4' energy: -95.305
flat angles C4'-P-C4' energy: -101.967
flat angles P-C4'-P energy: -72.579
tors. eta vs tors. theta energy: -122.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 70
Temperature: 0.950000
Total energy: -1042.598693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1042.598693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1042.598693 (E_RNA)
where:
Base-Base interactions energy: -594.690
where: short stacking energy: -361.208
Base-Backbone interact. energy: -1.408
local terms energy: -446.500331
where:
bonds (distance) C4'-P energy: -87.773
bonds (distance) P-C4' energy: -99.273
flat angles C4'-P-C4' energy: -98.190
flat angles P-C4'-P energy: -60.953
tors. eta vs tors. theta energy: -100.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 70
Temperature: 1.000000
Total energy: -955.542250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -955.542250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -955.542250 (E_RNA)
where:
Base-Base interactions energy: -546.701
where: short stacking energy: -298.070
Base-Backbone interact. energy: -1.557
local terms energy: -407.285189
where:
bonds (distance) C4'-P energy: -92.714
bonds (distance) P-C4' energy: -101.389
flat angles C4'-P-C4' energy: -96.429
flat angles P-C4'-P energy: -45.770
tors. eta vs tors. theta energy: -70.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 70
Temperature: 1.050000
Total energy: -776.433858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -776.433858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -776.433858 (E_RNA)
where:
Base-Base interactions energy: -385.741
where: short stacking energy: -269.434
Base-Backbone interact. energy: -1.794
local terms energy: -388.898926
where:
bonds (distance) C4'-P energy: -90.084
bonds (distance) P-C4' energy: -99.901
flat angles C4'-P-C4' energy: -68.605
flat angles P-C4'-P energy: -50.548
tors. eta vs tors. theta energy: -79.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 70
Temperature: 1.100000
Total energy: -734.351810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -734.351810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -734.351810 (E_RNA)
where:
Base-Base interactions energy: -368.598
where: short stacking energy: -241.670
Base-Backbone interact. energy: -1.190
local terms energy: -364.563463
where:
bonds (distance) C4'-P energy: -88.191
bonds (distance) P-C4' energy: -89.830
flat angles C4'-P-C4' energy: -81.868
flat angles P-C4'-P energy: -60.954
tors. eta vs tors. theta energy: -43.721
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: 5
=====================================
Write number: 70
Temperature: 1.150000
Total energy: -575.327994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -575.327994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -575.327994 (E_RNA)
where:
Base-Base interactions energy: -256.785
where: short stacking energy: -187.636
Base-Backbone interact. energy: -0.743
local terms energy: -317.799010
where:
bonds (distance) C4'-P energy: -88.639
bonds (distance) P-C4' energy: -86.507
flat angles C4'-P-C4' energy: -71.063
flat angles P-C4'-P energy: -50.808
tors. eta vs tors. theta energy: -20.782
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: 3
=====================================
Write number: 70
Temperature: 1.200000
Total energy: -451.877871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -451.877871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -451.877871 (E_RNA)
where:
Base-Base interactions energy: -164.961
where: short stacking energy: -142.638
Base-Backbone interact. energy: -2.093
local terms energy: -284.823885
where:
bonds (distance) C4'-P energy: -67.509
bonds (distance) P-C4' energy: -84.225
flat angles C4'-P-C4' energy: -89.621
flat angles P-C4'-P energy: -33.443
tors. eta vs tors. theta energy: -10.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 70
Temperature: 1.250000
Total energy: -403.161029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.161029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -403.161029 (E_RNA)
where:
Base-Base interactions energy: -116.117
where: short stacking energy: -103.528
Base-Backbone interact. energy: -2.209
local terms energy: -284.834899
where:
bonds (distance) C4'-P energy: -75.920
bonds (distance) P-C4' energy: -79.909
flat angles C4'-P-C4' energy: -72.861
flat angles P-C4'-P energy: -58.331
tors. eta vs tors. theta energy: 2.188
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 70
Temperature: 1.300000
Total energy: -387.601867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -387.601867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -387.601867 (E_RNA)
where:
Base-Base interactions energy: -157.957
where: short stacking energy: -126.206
Base-Backbone interact. energy: 0.683
local terms energy: -230.327272
where:
bonds (distance) C4'-P energy: -70.369
bonds (distance) P-C4' energy: -68.102
flat angles C4'-P-C4' energy: -53.260
flat angles P-C4'-P energy: -47.575
tors. eta vs tors. theta energy: 8.979
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: 10, replica: 10
=====================================
Write number: 70
Temperature: 1.350000
Total energy: -382.773127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -382.773127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -382.773127 (E_RNA)
where:
Base-Base interactions energy: -150.845
where: short stacking energy: -125.064
Base-Backbone interact. energy: 0.624
local terms energy: -232.552637
where:
bonds (distance) C4'-P energy: -59.873
bonds (distance) P-C4' energy: -84.247
flat angles C4'-P-C4' energy: -45.238
flat angles P-C4'-P energy: -48.165
tors. eta vs tors. theta energy: 4.970
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 71
Temperature: 0.900000
Total energy: -1228.021024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1228.021024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1228.021024 (E_RNA)
where:
Base-Base interactions energy: -748.215
where: short stacking energy: -431.984
Base-Backbone interact. energy: 0.209
local terms energy: -480.014335
where:
bonds (distance) C4'-P energy: -101.384
bonds (distance) P-C4' energy: -93.807
flat angles C4'-P-C4' energy: -99.542
flat angles P-C4'-P energy: -60.097
tors. eta vs tors. theta energy: -125.185
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: 4
=====================================
Write number: 71
Temperature: 0.950000
Total energy: -1002.146356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1002.146356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1002.146356 (E_RNA)
where:
Base-Base interactions energy: -556.202
where: short stacking energy: -338.601
Base-Backbone interact. energy: -1.343
local terms energy: -444.601424
where:
bonds (distance) C4'-P energy: -87.149
bonds (distance) P-C4' energy: -97.583
flat angles C4'-P-C4' energy: -100.267
flat angles P-C4'-P energy: -73.082
tors. eta vs tors. theta energy: -86.520
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 71
Temperature: 1.000000
Total energy: -960.768321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -960.768321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -960.768321 (E_RNA)
where:
Base-Base interactions energy: -551.157
where: short stacking energy: -331.858
Base-Backbone interact. energy: 0.140
local terms energy: -409.750824
where:
bonds (distance) C4'-P energy: -85.671
bonds (distance) P-C4' energy: -100.447
flat angles C4'-P-C4' energy: -84.770
flat angles P-C4'-P energy: -51.900
tors. eta vs tors. theta energy: -86.963
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 71
Temperature: 1.050000
Total energy: -777.741835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -777.741835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -777.741835 (E_RNA)
where:
Base-Base interactions energy: -400.699
where: short stacking energy: -262.664
Base-Backbone interact. energy: -3.168
local terms energy: -373.875259
where:
bonds (distance) C4'-P energy: -84.542
bonds (distance) P-C4' energy: -90.120
flat angles C4'-P-C4' energy: -79.146
flat angles P-C4'-P energy: -59.716
tors. eta vs tors. theta energy: -60.351
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: 71
Temperature: 1.100000
Total energy: -694.282222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -694.282222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -694.282222 (E_RNA)
where:
Base-Base interactions energy: -353.763
where: short stacking energy: -219.177
Base-Backbone interact. energy: 2.522
local terms energy: -343.040929
where:
bonds (distance) C4'-P energy: -74.801
bonds (distance) P-C4' energy: -80.136
flat angles C4'-P-C4' energy: -78.143
flat angles P-C4'-P energy: -47.004
tors. eta vs tors. theta energy: -62.956
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 71
Temperature: 1.150000
Total energy: -562.069222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -562.069222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -562.069222 (E_RNA)
where:
Base-Base interactions energy: -240.583
where: short stacking energy: -180.959
Base-Backbone interact. energy: -2.012
local terms energy: -319.474040
where:
bonds (distance) C4'-P energy: -65.195
bonds (distance) P-C4' energy: -85.155
flat angles C4'-P-C4' energy: -76.489
flat angles P-C4'-P energy: -61.771
tors. eta vs tors. theta energy: -30.864
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: 3
=====================================
Write number: 71
Temperature: 1.200000
Total energy: -457.511792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -457.511792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -457.511792 (E_RNA)
where:
Base-Base interactions energy: -180.438
where: short stacking energy: -173.499
Base-Backbone interact. energy: -0.275
local terms energy: -276.799521
where:
bonds (distance) C4'-P energy: -55.854
bonds (distance) P-C4' energy: -89.995
flat angles C4'-P-C4' energy: -72.426
flat angles P-C4'-P energy: -32.329
tors. eta vs tors. theta energy: -26.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 71
Temperature: 1.250000
Total energy: -402.009597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -402.009597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -402.009597 (E_RNA)
where:
Base-Base interactions energy: -108.435
where: short stacking energy: -100.821
Base-Backbone interact. energy: -0.889
local terms energy: -292.685689
where:
bonds (distance) C4'-P energy: -89.591
bonds (distance) P-C4' energy: -86.379
flat angles C4'-P-C4' energy: -58.584
flat angles P-C4'-P energy: -71.557
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: 8
=====================================
Write number: 71
Temperature: 1.300000
Total energy: -388.055596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -388.055596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -388.055596 (E_RNA)
where:
Base-Base interactions energy: -111.813
where: short stacking energy: -102.842
Base-Backbone interact. energy: -1.642
local terms energy: -274.600927
where:
bonds (distance) C4'-P energy: -80.264
bonds (distance) P-C4' energy: -86.489
flat angles C4'-P-C4' energy: -73.471
flat angles P-C4'-P energy: -52.851
tors. eta vs tors. theta energy: 18.475
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: 10
=====================================
Write number: 71
Temperature: 1.350000
Total energy: -353.973362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.973362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.973362 (E_RNA)
where:
Base-Base interactions energy: -143.044
where: short stacking energy: -99.248
Base-Backbone interact. energy: 0.326
local terms energy: -211.255889
where:
bonds (distance) C4'-P energy: -71.636
bonds (distance) P-C4' energy: -69.919
flat angles C4'-P-C4' energy: -57.865
flat angles P-C4'-P energy: -26.718
tors. eta vs tors. theta energy: 14.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 72
Temperature: 0.900000
Total energy: -1217.208122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1217.208122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1217.208122 (E_RNA)
where:
Base-Base interactions energy: -746.106
where: short stacking energy: -426.913
Base-Backbone interact. energy: -1.016
local terms energy: -470.086612
where:
bonds (distance) C4'-P energy: -77.707
bonds (distance) P-C4' energy: -97.988
flat angles C4'-P-C4' energy: -99.489
flat angles P-C4'-P energy: -70.067
tors. eta vs tors. theta energy: -124.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 72
Temperature: 0.950000
Total energy: -1012.221786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1012.221786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1012.221786 (E_RNA)
where:
Base-Base interactions energy: -578.673
where: short stacking energy: -355.395
Base-Backbone interact. energy: 1.644
local terms energy: -435.192631
where:
bonds (distance) C4'-P energy: -99.196
bonds (distance) P-C4' energy: -83.693
flat angles C4'-P-C4' energy: -101.514
flat angles P-C4'-P energy: -64.212
tors. eta vs tors. theta energy: -86.577
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: 2
=====================================
Write number: 72
Temperature: 1.000000
Total energy: -935.932835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -935.932835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -935.932835 (E_RNA)
where:
Base-Base interactions energy: -518.579
where: short stacking energy: -338.468
Base-Backbone interact. energy: -3.126
local terms energy: -414.228095
where:
bonds (distance) C4'-P energy: -89.360
bonds (distance) P-C4' energy: -84.367
flat angles C4'-P-C4' energy: -105.947
flat angles P-C4'-P energy: -55.678
tors. eta vs tors. theta energy: -78.876
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: 4, replica: 7
=====================================
Write number: 72
Temperature: 1.050000
Total energy: -776.668214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -776.668214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -776.668214 (E_RNA)
where:
Base-Base interactions energy: -402.007
where: short stacking energy: -258.639
Base-Backbone interact. energy: 0.812
local terms energy: -375.472658
where:
bonds (distance) C4'-P energy: -76.054
bonds (distance) P-C4' energy: -93.908
flat angles C4'-P-C4' energy: -93.145
flat angles P-C4'-P energy: -48.740
tors. eta vs tors. theta energy: -63.626
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 72
Temperature: 1.100000
Total energy: -662.806710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -662.806710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -662.806710 (E_RNA)
where:
Base-Base interactions energy: -328.719
where: short stacking energy: -217.006
Base-Backbone interact. energy: -0.689
local terms energy: -333.398483
where:
bonds (distance) C4'-P energy: -72.762
bonds (distance) P-C4' energy: -89.003
flat angles C4'-P-C4' energy: -80.065
flat angles P-C4'-P energy: -55.767
tors. eta vs tors. theta energy: -35.801
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 72
Temperature: 1.150000
Total energy: -574.813802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -574.813802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -574.813802 (E_RNA)
where:
Base-Base interactions energy: -253.323
where: short stacking energy: -186.025
Base-Backbone interact. energy: 1.375
local terms energy: -322.865712
where:
bonds (distance) C4'-P energy: -83.560
bonds (distance) P-C4' energy: -84.097
flat angles C4'-P-C4' energy: -76.307
flat angles P-C4'-P energy: -56.021
tors. eta vs tors. theta energy: -22.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 72
Temperature: 1.200000
Total energy: -438.355688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -438.355688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -438.355688 (E_RNA)
where:
Base-Base interactions energy: -159.515
where: short stacking energy: -135.990
Base-Backbone interact. energy: -2.117
local terms energy: -276.722986
where:
bonds (distance) C4'-P energy: -81.914
bonds (distance) P-C4' energy: -82.604
flat angles C4'-P-C4' energy: -85.762
flat angles P-C4'-P energy: -30.978
tors. eta vs tors. theta energy: 4.536
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 72
Temperature: 1.250000
Total energy: -407.829893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.829893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -407.829893 (E_RNA)
where:
Base-Base interactions energy: -146.707
where: short stacking energy: -133.735
Base-Backbone interact. energy: -0.849
local terms energy: -260.273697
where:
bonds (distance) C4'-P energy: -73.026
bonds (distance) P-C4' energy: -69.761
flat angles C4'-P-C4' energy: -65.561
flat angles P-C4'-P energy: -57.925
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: 10
=====================================
Write number: 72
Temperature: 1.300000
Total energy: -369.930674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.930674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.930674 (E_RNA)
where:
Base-Base interactions energy: -113.624
where: short stacking energy: -85.287
Base-Backbone interact. energy: 4.505
local terms energy: -260.811184
where:
bonds (distance) C4'-P energy: -82.844
bonds (distance) P-C4' energy: -76.582
flat angles C4'-P-C4' energy: -70.269
flat angles P-C4'-P energy: -48.768
tors. eta vs tors. theta energy: 17.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 72
Temperature: 1.350000
Total energy: -353.265722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.265722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.265722 (E_RNA)
where:
Base-Base interactions energy: -106.683
where: short stacking energy: -102.304
Base-Backbone interact. energy: 2.534
local terms energy: -249.116783
where:
bonds (distance) C4'-P energy: -64.388
bonds (distance) P-C4' energy: -81.872
flat angles C4'-P-C4' energy: -72.587
flat angles P-C4'-P energy: -44.283
tors. eta vs tors. theta energy: 14.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 73
Temperature: 0.900000
Total energy: -1229.947491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1229.947491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1229.947491 (E_RNA)
where:
Base-Base interactions energy: -751.079
where: short stacking energy: -419.792
Base-Backbone interact. energy: 0.750
local terms energy: -479.619007
where:
bonds (distance) C4'-P energy: -88.975
bonds (distance) P-C4' energy: -96.663
flat angles C4'-P-C4' energy: -106.169
flat angles P-C4'-P energy: -59.989
tors. eta vs tors. theta energy: -127.824
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 73
Temperature: 0.950000
Total energy: -1019.007294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1019.007294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1019.007294 (E_RNA)
where:
Base-Base interactions energy: -613.375
where: short stacking energy: -362.700
Base-Backbone interact. energy: 0.026
local terms energy: -405.658498
where:
bonds (distance) C4'-P energy: -92.375
bonds (distance) P-C4' energy: -87.739
flat angles C4'-P-C4' energy: -97.288
flat angles P-C4'-P energy: -42.454
tors. eta vs tors. theta energy: -85.803
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 73
Temperature: 1.000000
Total energy: -959.163702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -959.163702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -959.163702 (E_RNA)
where:
Base-Base interactions energy: -534.547
where: short stacking energy: -331.781
Base-Backbone interact. energy: -3.262
local terms energy: -421.354545
where:
bonds (distance) C4'-P energy: -83.501
bonds (distance) P-C4' energy: -85.945
flat angles C4'-P-C4' energy: -97.155
flat angles P-C4'-P energy: -69.609
tors. eta vs tors. theta energy: -85.145
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: 7
=====================================
Write number: 73
Temperature: 1.050000
Total energy: -799.088183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -799.088183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -799.088183 (E_RNA)
where:
Base-Base interactions energy: -402.263
where: short stacking energy: -272.632
Base-Backbone interact. energy: -0.552
local terms energy: -396.273485
where:
bonds (distance) C4'-P energy: -84.682
bonds (distance) P-C4' energy: -93.696
flat angles C4'-P-C4' energy: -82.729
flat angles P-C4'-P energy: -55.797
tors. eta vs tors. theta energy: -79.370
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 73
Temperature: 1.100000
Total energy: -685.026303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -685.026303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -685.026303 (E_RNA)
where:
Base-Base interactions energy: -349.872
where: short stacking energy: -232.676
Base-Backbone interact. energy: -0.152
local terms energy: -335.002261
where:
bonds (distance) C4'-P energy: -91.990
bonds (distance) P-C4' energy: -72.662
flat angles C4'-P-C4' energy: -90.523
flat angles P-C4'-P energy: -40.384
tors. eta vs tors. theta energy: -39.443
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 73
Temperature: 1.150000
Total energy: -568.524711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -568.524711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -568.524711 (E_RNA)
where:
Base-Base interactions energy: -242.105
where: short stacking energy: -176.803
Base-Backbone interact. energy: 2.106
local terms energy: -328.525741
where:
bonds (distance) C4'-P energy: -78.968
bonds (distance) P-C4' energy: -91.698
flat angles C4'-P-C4' energy: -80.515
flat angles P-C4'-P energy: -52.898
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: 7, replica: 3
=====================================
Write number: 73
Temperature: 1.200000
Total energy: -449.323571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -449.323571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -449.323571 (E_RNA)
where:
Base-Base interactions energy: -132.295
where: short stacking energy: -131.509
Base-Backbone interact. energy: -0.623
local terms energy: -316.405375
where:
bonds (distance) C4'-P energy: -81.863
bonds (distance) P-C4' energy: -89.641
flat angles C4'-P-C4' energy: -92.537
flat angles P-C4'-P energy: -36.301
tors. eta vs tors. theta energy: -16.063
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 73
Temperature: 1.250000
Total energy: -431.404595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -431.404595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -431.404595 (E_RNA)
where:
Base-Base interactions energy: -147.677
where: short stacking energy: -119.144
Base-Backbone interact. energy: -1.823
local terms energy: -281.904403
where:
bonds (distance) C4'-P energy: -85.586
bonds (distance) P-C4' energy: -89.178
flat angles C4'-P-C4' energy: -71.432
flat angles P-C4'-P energy: -31.905
tors. eta vs tors. theta energy: -3.803
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 73
Temperature: 1.300000
Total energy: -385.034566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -385.034566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -385.034566 (E_RNA)
where:
Base-Base interactions energy: -118.148
where: short stacking energy: -112.463
Base-Backbone interact. energy: -1.498
local terms energy: -265.388100
where:
bonds (distance) C4'-P energy: -76.363
bonds (distance) P-C4' energy: -83.288
flat angles C4'-P-C4' energy: -57.261
flat angles P-C4'-P energy: -50.670
tors. eta vs tors. theta energy: 2.194
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: 8
=====================================
Write number: 73
Temperature: 1.350000
Total energy: -358.925239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.925239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.925239 (E_RNA)
where:
Base-Base interactions energy: -124.784
where: short stacking energy: -107.987
Base-Backbone interact. energy: 0.436
local terms energy: -234.577410
where:
bonds (distance) C4'-P energy: -65.845
bonds (distance) P-C4' energy: -81.290
flat angles C4'-P-C4' energy: -62.270
flat angles P-C4'-P energy: -37.084
tors. eta vs tors. theta energy: 11.911
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 74
Temperature: 0.900000
Total energy: -1232.349824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1232.349824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1232.349824 (E_RNA)
where:
Base-Base interactions energy: -758.066
where: short stacking energy: -431.874
Base-Backbone interact. energy: -4.475
local terms energy: -469.808447
where:
bonds (distance) C4'-P energy: -90.247
bonds (distance) P-C4' energy: -80.298
flat angles C4'-P-C4' energy: -106.514
flat angles P-C4'-P energy: -62.252
tors. eta vs tors. theta energy: -130.496
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: 4
=====================================
Write number: 74
Temperature: 0.950000
Total energy: -1040.843572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1040.843572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1040.843572 (E_RNA)
where:
Base-Base interactions energy: -593.223
where: short stacking energy: -358.459
Base-Backbone interact. energy: -0.392
local terms energy: -447.228093
where:
bonds (distance) C4'-P energy: -77.771
bonds (distance) P-C4' energy: -111.011
flat angles C4'-P-C4' energy: -90.467
flat angles P-C4'-P energy: -74.643
tors. eta vs tors. theta energy: -93.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 74
Temperature: 1.000000
Total energy: -941.387458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -941.387458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -941.387458 (E_RNA)
where:
Base-Base interactions energy: -518.798
where: short stacking energy: -333.474
Base-Backbone interact. energy: -2.458
local terms energy: -420.130891
where:
bonds (distance) C4'-P energy: -93.900
bonds (distance) P-C4' energy: -81.763
flat angles C4'-P-C4' energy: -93.358
flat angles P-C4'-P energy: -62.411
tors. eta vs tors. theta energy: -88.700
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 74
Temperature: 1.050000
Total energy: -765.852236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -765.852236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -765.852236 (E_RNA)
where:
Base-Base interactions energy: -409.939
where: short stacking energy: -276.850
Base-Backbone interact. energy: 0.363
local terms energy: -356.276762
where:
bonds (distance) C4'-P energy: -82.375
bonds (distance) P-C4' energy: -87.513
flat angles C4'-P-C4' energy: -80.429
flat angles P-C4'-P energy: -47.891
tors. eta vs tors. theta energy: -58.069
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: 6
=====================================
Write number: 74
Temperature: 1.100000
Total energy: -655.645584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -655.645584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -655.645584 (E_RNA)
where:
Base-Base interactions energy: -315.628
where: short stacking energy: -224.330
Base-Backbone interact. energy: 0.096
local terms energy: -340.113308
where:
bonds (distance) C4'-P energy: -78.616
bonds (distance) P-C4' energy: -92.024
flat angles C4'-P-C4' energy: -80.288
flat angles P-C4'-P energy: -51.483
tors. eta vs tors. theta energy: -37.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 74
Temperature: 1.150000
Total energy: -555.756788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -555.756788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -555.756788 (E_RNA)
where:
Base-Base interactions energy: -242.129
where: short stacking energy: -188.553
Base-Backbone interact. energy: -0.256
local terms energy: -313.371698
where:
bonds (distance) C4'-P energy: -60.910
bonds (distance) P-C4' energy: -79.017
flat angles C4'-P-C4' energy: -89.462
flat angles P-C4'-P energy: -56.726
tors. eta vs tors. theta energy: -27.256
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 74
Temperature: 1.200000
Total energy: -465.047234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -465.047234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -465.047234 (E_RNA)
where:
Base-Base interactions energy: -182.174
where: short stacking energy: -140.386
Base-Backbone interact. energy: -0.824
local terms energy: -282.049871
where:
bonds (distance) C4'-P energy: -74.969
bonds (distance) P-C4' energy: -83.806
flat angles C4'-P-C4' energy: -79.687
flat angles P-C4'-P energy: -42.178
tors. eta vs tors. theta energy: -1.410
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 74
Temperature: 1.250000
Total energy: -414.523950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.523950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.523950 (E_RNA)
where:
Base-Base interactions energy: -158.353
where: short stacking energy: -134.172
Base-Backbone interact. energy: -0.315
local terms energy: -255.855876
where:
bonds (distance) C4'-P energy: -66.935
bonds (distance) P-C4' energy: -85.377
flat angles C4'-P-C4' energy: -56.923
flat angles P-C4'-P energy: -40.832
tors. eta vs tors. theta energy: -5.789
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 74
Temperature: 1.300000
Total energy: -391.739059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.739059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -391.739059 (E_RNA)
where:
Base-Base interactions energy: -143.843
where: short stacking energy: -133.289
Base-Backbone interact. energy: -1.646
local terms energy: -246.250285
where:
bonds (distance) C4'-P energy: -67.431
bonds (distance) P-C4' energy: -86.405
flat angles C4'-P-C4' energy: -74.279
flat angles P-C4'-P energy: -21.194
tors. eta vs tors. theta energy: 3.059
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: 10, replica: 8
=====================================
Write number: 74
Temperature: 1.350000
Total energy: -349.591273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.591273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.591273 (E_RNA)
where:
Base-Base interactions energy: -127.416
where: short stacking energy: -89.618
Base-Backbone interact. energy: -1.581
local terms energy: -220.594641
where:
bonds (distance) C4'-P energy: -70.755
bonds (distance) P-C4' energy: -70.466
flat angles C4'-P-C4' energy: -51.847
flat angles P-C4'-P energy: -51.405
tors. eta vs tors. theta energy: 23.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 75
Temperature: 0.900000
Total energy: -1228.598098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1228.598098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1228.598098 (E_RNA)
where:
Base-Base interactions energy: -748.477
where: short stacking energy: -417.143
Base-Backbone interact. energy: -3.091
local terms energy: -477.030448
where:
bonds (distance) C4'-P energy: -90.200
bonds (distance) P-C4' energy: -102.948
flat angles C4'-P-C4' energy: -100.480
flat angles P-C4'-P energy: -64.813
tors. eta vs tors. theta energy: -118.589
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: 2
=====================================
Write number: 75
Temperature: 0.950000
Total energy: -1028.392686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1028.392686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1028.392686 (E_RNA)
where:
Base-Base interactions energy: -583.538
where: short stacking energy: -368.692
Base-Backbone interact. energy: -1.837
local terms energy: -443.017511
where:
bonds (distance) C4'-P energy: -85.568
bonds (distance) P-C4' energy: -88.599
flat angles C4'-P-C4' energy: -101.302
flat angles P-C4'-P energy: -60.880
tors. eta vs tors. theta energy: -106.668
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 75
Temperature: 1.000000
Total energy: -970.685938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -970.685938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -970.685938 (E_RNA)
where:
Base-Base interactions energy: -540.391
where: short stacking energy: -306.455
Base-Backbone interact. energy: -0.478
local terms energy: -429.816845
where:
bonds (distance) C4'-P energy: -95.290
bonds (distance) P-C4' energy: -92.521
flat angles C4'-P-C4' energy: -98.016
flat angles P-C4'-P energy: -66.214
tors. eta vs tors. theta energy: -77.776
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 75
Temperature: 1.050000
Total energy: -770.117554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -770.117554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -770.117554 (E_RNA)
where:
Base-Base interactions energy: -398.883
where: short stacking energy: -277.773
Base-Backbone interact. energy: -2.349
local terms energy: -368.885748
where:
bonds (distance) C4'-P energy: -73.429
bonds (distance) P-C4' energy: -85.819
flat angles C4'-P-C4' energy: -88.841
flat angles P-C4'-P energy: -62.575
tors. eta vs tors. theta energy: -58.222
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 75
Temperature: 1.100000
Total energy: -675.913737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -675.913737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -675.913737 (E_RNA)
where:
Base-Base interactions energy: -336.277
where: short stacking energy: -226.018
Base-Backbone interact. energy: -0.738
local terms energy: -338.898780
where:
bonds (distance) C4'-P energy: -89.781
bonds (distance) P-C4' energy: -91.073
flat angles C4'-P-C4' energy: -72.151
flat angles P-C4'-P energy: -45.908
tors. eta vs tors. theta energy: -39.986
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 75
Temperature: 1.150000
Total energy: -562.775784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -562.775784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -562.775784 (E_RNA)
where:
Base-Base interactions energy: -228.670
where: short stacking energy: -173.653
Base-Backbone interact. energy: 0.968
local terms energy: -335.073556
where:
bonds (distance) C4'-P energy: -89.549
bonds (distance) P-C4' energy: -96.767
flat angles C4'-P-C4' energy: -79.818
flat angles P-C4'-P energy: -48.392
tors. eta vs tors. theta energy: -20.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 75
Temperature: 1.200000
Total energy: -456.213972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -456.213972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -456.213972 (E_RNA)
where:
Base-Base interactions energy: -157.518
where: short stacking energy: -136.479
Base-Backbone interact. energy: 0.712
local terms energy: -299.407165
where:
bonds (distance) C4'-P energy: -81.192
bonds (distance) P-C4' energy: -86.487
flat angles C4'-P-C4' energy: -76.377
flat angles P-C4'-P energy: -50.460
tors. eta vs tors. theta energy: -4.890
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: 10
=====================================
Write number: 75
Temperature: 1.250000
Total energy: -405.522514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -405.522514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -405.522514 (E_RNA)
where:
Base-Base interactions energy: -154.920
where: short stacking energy: -114.876
Base-Backbone interact. energy: 0.268
local terms energy: -250.870656
where:
bonds (distance) C4'-P energy: -77.358
bonds (distance) P-C4' energy: -100.748
flat angles C4'-P-C4' energy: -70.572
flat angles P-C4'-P energy: -33.205
tors. eta vs tors. theta energy: 31.011
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 75
Temperature: 1.300000
Total energy: -369.490948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.490948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.490948 (E_RNA)
where:
Base-Base interactions energy: -116.155
where: short stacking energy: -100.533
Base-Backbone interact. energy: 2.902
local terms energy: -256.238196
where:
bonds (distance) C4'-P energy: -68.042
bonds (distance) P-C4' energy: -77.641
flat angles C4'-P-C4' energy: -75.029
flat angles P-C4'-P energy: -41.822
tors. eta vs tors. theta energy: 6.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 75
Temperature: 1.350000
Total energy: -352.969494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.969494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.969494 (E_RNA)
where:
Base-Base interactions energy: -114.154
where: short stacking energy: -88.894
Base-Backbone interact. energy: -0.907
local terms energy: -237.908597
where:
bonds (distance) C4'-P energy: -73.743
bonds (distance) P-C4' energy: -87.638
flat angles C4'-P-C4' energy: -58.390
flat angles P-C4'-P energy: -42.390
tors. eta vs tors. theta energy: 24.253
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: 76
Temperature: 0.900000
Total energy: -1217.813647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1217.813647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1217.813647 (E_RNA)
where:
Base-Base interactions energy: -745.109
where: short stacking energy: -408.974
Base-Backbone interact. energy: -1.920
local terms energy: -470.785102
where:
bonds (distance) C4'-P energy: -96.089
bonds (distance) P-C4' energy: -94.604
flat angles C4'-P-C4' energy: -100.257
flat angles P-C4'-P energy: -70.128
tors. eta vs tors. theta energy: -109.707
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: 2, replica: 2
=====================================
Write number: 76
Temperature: 0.950000
Total energy: -1014.304218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1014.304218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1014.304218 (E_RNA)
where:
Base-Base interactions energy: -559.857
where: short stacking energy: -334.594
Base-Backbone interact. energy: -1.176
local terms energy: -453.271561
where:
bonds (distance) C4'-P energy: -105.005
bonds (distance) P-C4' energy: -80.578
flat angles C4'-P-C4' energy: -106.924
flat angles P-C4'-P energy: -65.627
tors. eta vs tors. theta energy: -95.138
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 76
Temperature: 1.000000
Total energy: -988.553971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -988.553971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -988.553971 (E_RNA)
where:
Base-Base interactions energy: -566.435
where: short stacking energy: -332.461
Base-Backbone interact. energy: -1.186
local terms energy: -420.932885
where:
bonds (distance) C4'-P energy: -92.646
bonds (distance) P-C4' energy: -95.457
flat angles C4'-P-C4' energy: -98.548
flat angles P-C4'-P energy: -47.280
tors. eta vs tors. theta energy: -87.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 76
Temperature: 1.050000
Total energy: -773.809386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -773.809386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -773.809386 (E_RNA)
where:
Base-Base interactions energy: -386.253
where: short stacking energy: -269.018
Base-Backbone interact. energy: -1.626
local terms energy: -385.929933
where:
bonds (distance) C4'-P energy: -84.125
bonds (distance) P-C4' energy: -94.267
flat angles C4'-P-C4' energy: -93.184
flat angles P-C4'-P energy: -50.038
tors. eta vs tors. theta energy: -64.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 76
Temperature: 1.100000
Total energy: -647.136538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -647.136538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -647.136538 (E_RNA)
where:
Base-Base interactions energy: -313.196
where: short stacking energy: -215.539
Base-Backbone interact. energy: 2.548
local terms energy: -336.488737
where:
bonds (distance) C4'-P energy: -68.764
bonds (distance) P-C4' energy: -92.815
flat angles C4'-P-C4' energy: -75.678
flat angles P-C4'-P energy: -49.965
tors. eta vs tors. theta energy: -49.266
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 76
Temperature: 1.150000
Total energy: -584.103784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -584.103784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -584.103784 (E_RNA)
where:
Base-Base interactions energy: -266.315
where: short stacking energy: -185.050
Base-Backbone interact. energy: -2.098
local terms energy: -315.691260
where:
bonds (distance) C4'-P energy: -76.036
bonds (distance) P-C4' energy: -91.782
flat angles C4'-P-C4' energy: -70.082
flat angles P-C4'-P energy: -42.811
tors. eta vs tors. theta energy: -34.981
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 76
Temperature: 1.200000
Total energy: -448.196222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -448.196222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -448.196222 (E_RNA)
where:
Base-Base interactions energy: -132.268
where: short stacking energy: -120.273
Base-Backbone interact. energy: 2.257
local terms energy: -318.184981
where:
bonds (distance) C4'-P energy: -85.472
bonds (distance) P-C4' energy: -90.624
flat angles C4'-P-C4' energy: -82.237
flat angles P-C4'-P energy: -52.793
tors. eta vs tors. theta energy: -7.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 76
Temperature: 1.250000
Total energy: -411.144436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.144436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.144436 (E_RNA)
where:
Base-Base interactions energy: -152.197
where: short stacking energy: -145.937
Base-Backbone interact. energy: -2.304
local terms energy: -256.643131
where:
bonds (distance) C4'-P energy: -81.150
bonds (distance) P-C4' energy: -82.356
flat angles C4'-P-C4' energy: -68.281
flat angles P-C4'-P energy: -22.991
tors. eta vs tors. theta energy: -1.866
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 76
Temperature: 1.300000
Total energy: -370.724951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.724951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.724951 (E_RNA)
where:
Base-Base interactions energy: -114.474
where: short stacking energy: -104.135
Base-Backbone interact. energy: 8.215
local terms energy: -264.466049
where:
bonds (distance) C4'-P energy: -68.557
bonds (distance) P-C4' energy: -84.311
flat angles C4'-P-C4' energy: -77.091
flat angles P-C4'-P energy: -45.796
tors. eta vs tors. theta energy: 11.288
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 76
Temperature: 1.350000
Total energy: -366.885742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.885742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.885742 (E_RNA)
where:
Base-Base interactions energy: -147.787
where: short stacking energy: -108.316
Base-Backbone interact. energy: -3.020
local terms energy: -216.078583
where:
bonds (distance) C4'-P energy: -78.865
bonds (distance) P-C4' energy: -63.867
flat angles C4'-P-C4' energy: -59.705
flat angles P-C4'-P energy: -30.989
tors. eta vs tors. theta energy: 17.347
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 77
Temperature: 0.900000
Total energy: -1243.571122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1243.571122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1243.571122 (E_RNA)
where:
Base-Base interactions energy: -764.316
where: short stacking energy: -421.282
Base-Backbone interact. energy: -1.699
local terms energy: -477.555997
where:
bonds (distance) C4'-P energy: -82.994
bonds (distance) P-C4' energy: -98.753
flat angles C4'-P-C4' energy: -99.943
flat angles P-C4'-P energy: -76.748
tors. eta vs tors. theta energy: -119.117
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: 2
=====================================
Write number: 77
Temperature: 0.950000
Total energy: -1024.689581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1024.689581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1024.689581 (E_RNA)
where:
Base-Base interactions energy: -585.693
where: short stacking energy: -354.100
Base-Backbone interact. energy: -1.039
local terms energy: -437.956957
where:
bonds (distance) C4'-P energy: -83.215
bonds (distance) P-C4' energy: -91.101
flat angles C4'-P-C4' energy: -100.761
flat angles P-C4'-P energy: -64.827
tors. eta vs tors. theta energy: -98.053
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 77
Temperature: 1.000000
Total energy: -1010.674734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1010.674734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1010.674734 (E_RNA)
where:
Base-Base interactions energy: -573.390
where: short stacking energy: -328.987
Base-Backbone interact. energy: -1.529
local terms energy: -435.756132
where:
bonds (distance) C4'-P energy: -84.411
bonds (distance) P-C4' energy: -103.841
flat angles C4'-P-C4' energy: -93.117
flat angles P-C4'-P energy: -60.708
tors. eta vs tors. theta energy: -93.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 77
Temperature: 1.050000
Total energy: -766.562120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -766.562120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -766.562120 (E_RNA)
where:
Base-Base interactions energy: -377.405
where: short stacking energy: -269.387
Base-Backbone interact. energy: 0.991
local terms energy: -390.147948
where:
bonds (distance) C4'-P energy: -86.589
bonds (distance) P-C4' energy: -82.401
flat angles C4'-P-C4' energy: -93.804
flat angles P-C4'-P energy: -58.416
tors. eta vs tors. theta energy: -68.937
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 77
Temperature: 1.100000
Total energy: -675.318599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -675.318599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -675.318599 (E_RNA)
where:
Base-Base interactions energy: -313.600
where: short stacking energy: -204.119
Base-Backbone interact. energy: 0.019
local terms energy: -361.738483
where:
bonds (distance) C4'-P energy: -90.795
bonds (distance) P-C4' energy: -84.512
flat angles C4'-P-C4' energy: -92.183
flat angles P-C4'-P energy: -52.578
tors. eta vs tors. theta energy: -41.671
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 77
Temperature: 1.150000
Total energy: -588.607523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -588.607523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -588.607523 (E_RNA)
where:
Base-Base interactions energy: -297.542
where: short stacking energy: -212.763
Base-Backbone interact. energy: -1.244
local terms energy: -289.821136
where:
bonds (distance) C4'-P energy: -72.388
bonds (distance) P-C4' energy: -72.151
flat angles C4'-P-C4' energy: -77.710
flat angles P-C4'-P energy: -33.887
tors. eta vs tors. theta energy: -33.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 77
Temperature: 1.200000
Total energy: -427.960781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -427.960781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -427.960781 (E_RNA)
where:
Base-Base interactions energy: -167.857
where: short stacking energy: -136.972
Base-Backbone interact. energy: 4.135
local terms energy: -264.238780
where:
bonds (distance) C4'-P energy: -86.782
bonds (distance) P-C4' energy: -67.632
flat angles C4'-P-C4' energy: -64.633
flat angles P-C4'-P energy: -47.341
tors. eta vs tors. theta energy: 2.149
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 77
Temperature: 1.250000
Total energy: -439.457328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -439.457328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -439.457328 (E_RNA)
where:
Base-Base interactions energy: -183.691
where: short stacking energy: -139.810
Base-Backbone interact. energy: 1.478
local terms energy: -257.244281
where:
bonds (distance) C4'-P energy: -72.454
bonds (distance) P-C4' energy: -63.817
flat angles C4'-P-C4' energy: -73.330
flat angles P-C4'-P energy: -47.792
tors. eta vs tors. theta energy: 0.148
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 77
Temperature: 1.300000
Total energy: -374.464472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -374.464472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -374.464472 (E_RNA)
where:
Base-Base interactions energy: -129.781
where: short stacking energy: -104.767
Base-Backbone interact. energy: -2.548
local terms energy: -242.135849
where:
bonds (distance) C4'-P energy: -72.472
bonds (distance) P-C4' energy: -88.700
flat angles C4'-P-C4' energy: -59.449
flat angles P-C4'-P energy: -37.710
tors. eta vs tors. theta energy: 16.194
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: 9
=====================================
Write number: 77
Temperature: 1.350000
Total energy: -332.388421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.388421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.388421 (E_RNA)
where:
Base-Base interactions energy: -89.490
where: short stacking energy: -90.347
Base-Backbone interact. energy: 5.062
local terms energy: -247.960103
where:
bonds (distance) C4'-P energy: -77.280
bonds (distance) P-C4' energy: -91.475
flat angles C4'-P-C4' energy: -68.253
flat angles P-C4'-P energy: -35.438
tors. eta vs tors. theta energy: 24.486
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 78
Temperature: 0.900000
Total energy: -1220.186455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1220.186455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1220.186455 (E_RNA)
where:
Base-Base interactions energy: -748.676
where: short stacking energy: -405.859
Base-Backbone interact. energy: -0.880
local terms energy: -470.629944
where:
bonds (distance) C4'-P energy: -92.637
bonds (distance) P-C4' energy: -89.419
flat angles C4'-P-C4' energy: -104.930
flat angles P-C4'-P energy: -68.555
tors. eta vs tors. theta energy: -115.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 78
Temperature: 0.950000
Total energy: -1034.025307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1034.025307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1034.025307 (E_RNA)
where:
Base-Base interactions energy: -582.452
where: short stacking energy: -369.987
Base-Backbone interact. energy: -2.005
local terms energy: -449.568219
where:
bonds (distance) C4'-P energy: -99.132
bonds (distance) P-C4' energy: -91.573
flat angles C4'-P-C4' energy: -88.762
flat angles P-C4'-P energy: -63.725
tors. eta vs tors. theta energy: -106.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 78
Temperature: 1.000000
Total energy: -1021.091766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1021.091766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1021.091766 (E_RNA)
where:
Base-Base interactions energy: -578.642
where: short stacking energy: -352.170
Base-Backbone interact. energy: -2.374
local terms energy: -440.075852
where:
bonds (distance) C4'-P energy: -92.154
bonds (distance) P-C4' energy: -85.907
flat angles C4'-P-C4' energy: -102.225
flat angles P-C4'-P energy: -65.536
tors. eta vs tors. theta energy: -94.254
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: 4, replica: 7
=====================================
Write number: 78
Temperature: 1.050000
Total energy: -743.813967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -743.813967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -743.813967 (E_RNA)
where:
Base-Base interactions energy: -356.488
where: short stacking energy: -239.924
Base-Backbone interact. energy: 1.721
local terms energy: -389.046827
where:
bonds (distance) C4'-P energy: -90.687
bonds (distance) P-C4' energy: -95.149
flat angles C4'-P-C4' energy: -89.582
flat angles P-C4'-P energy: -62.053
tors. eta vs tors. theta energy: -51.577
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: 6
=====================================
Write number: 78
Temperature: 1.100000
Total energy: -689.897853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -689.897853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -689.897853 (E_RNA)
where:
Base-Base interactions energy: -331.186
where: short stacking energy: -206.503
Base-Backbone interact. energy: -1.049
local terms energy: -357.662351
where:
bonds (distance) C4'-P energy: -83.508
bonds (distance) P-C4' energy: -104.432
flat angles C4'-P-C4' energy: -78.082
flat angles P-C4'-P energy: -41.438
tors. eta vs tors. theta energy: -50.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 78
Temperature: 1.150000
Total energy: -590.014997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -590.014997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -590.014997 (E_RNA)
where:
Base-Base interactions energy: -277.972
where: short stacking energy: -206.645
Base-Backbone interact. energy: -0.980
local terms energy: -311.063735
where:
bonds (distance) C4'-P energy: -75.318
bonds (distance) P-C4' energy: -80.767
flat angles C4'-P-C4' energy: -68.367
flat angles P-C4'-P energy: -51.851
tors. eta vs tors. theta energy: -34.761
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 78
Temperature: 1.200000
Total energy: -427.891890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -427.891890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -427.891890 (E_RNA)
where:
Base-Base interactions energy: -133.897
where: short stacking energy: -130.145
Base-Backbone interact. energy: 0.174
local terms energy: -294.168713
where:
bonds (distance) C4'-P energy: -87.960
bonds (distance) P-C4' energy: -84.197
flat angles C4'-P-C4' energy: -67.493
flat angles P-C4'-P energy: -51.203
tors. eta vs tors. theta energy: -3.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 78
Temperature: 1.250000
Total energy: -405.366139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -405.366139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -405.366139 (E_RNA)
where:
Base-Base interactions energy: -131.019
where: short stacking energy: -117.471
Base-Backbone interact. energy: 0.292
local terms energy: -274.639535
where:
bonds (distance) C4'-P energy: -87.572
bonds (distance) P-C4' energy: -86.091
flat angles C4'-P-C4' energy: -57.009
flat angles P-C4'-P energy: -40.764
tors. eta vs tors. theta energy: -3.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 78
Temperature: 1.300000
Total energy: -385.945302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -385.945302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -385.945302 (E_RNA)
where:
Base-Base interactions energy: -138.986
where: short stacking energy: -111.318
Base-Backbone interact. energy: -1.256
local terms energy: -245.703958
where:
bonds (distance) C4'-P energy: -72.128
bonds (distance) P-C4' energy: -80.240
flat angles C4'-P-C4' energy: -70.924
flat angles P-C4'-P energy: -29.276
tors. eta vs tors. theta energy: 6.865
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 78
Temperature: 1.350000
Total energy: -359.890655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.890655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.890655 (E_RNA)
where:
Base-Base interactions energy: -105.804
where: short stacking energy: -97.320
Base-Backbone interact. energy: -0.241
local terms energy: -253.845214
where:
bonds (distance) C4'-P energy: -93.209
bonds (distance) P-C4' energy: -62.865
flat angles C4'-P-C4' energy: -63.793
flat angles P-C4'-P energy: -43.371
tors. eta vs tors. theta energy: 9.391
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: 1
=====================================
Write number: 79
Temperature: 0.900000
Total energy: -1209.659451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1209.659451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1209.659451 (E_RNA)
where:
Base-Base interactions energy: -743.708
where: short stacking energy: -410.902
Base-Backbone interact. energy: 2.556
local terms energy: -468.507450
where:
bonds (distance) C4'-P energy: -90.453
bonds (distance) P-C4' energy: -85.679
flat angles C4'-P-C4' energy: -109.407
flat angles P-C4'-P energy: -66.181
tors. eta vs tors. theta energy: -116.787
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: 2, replica: 2
=====================================
Write number: 79
Temperature: 0.950000
Total energy: -1067.080946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1067.080946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1067.080946 (E_RNA)
where:
Base-Base interactions energy: -596.528
where: short stacking energy: -398.047
Base-Backbone interact. energy: -3.148
local terms energy: -467.405591
where:
bonds (distance) C4'-P energy: -89.087
bonds (distance) P-C4' energy: -98.738
flat angles C4'-P-C4' energy: -96.887
flat angles P-C4'-P energy: -79.574
tors. eta vs tors. theta energy: -103.119
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 79
Temperature: 1.000000
Total energy: -1008.022911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1008.022911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1008.022911 (E_RNA)
where:
Base-Base interactions energy: -582.333
where: short stacking energy: -348.434
Base-Backbone interact. energy: -0.851
local terms energy: -424.838813
where:
bonds (distance) C4'-P energy: -88.052
bonds (distance) P-C4' energy: -98.121
flat angles C4'-P-C4' energy: -89.274
flat angles P-C4'-P energy: -65.275
tors. eta vs tors. theta energy: -84.117
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: 4, replica: 7
=====================================
Write number: 79
Temperature: 1.050000
Total energy: -755.606418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -755.606418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -755.606418 (E_RNA)
where:
Base-Base interactions energy: -380.604
where: short stacking energy: -263.067
Base-Backbone interact. energy: -1.729
local terms energy: -373.272948
where:
bonds (distance) C4'-P energy: -80.341
bonds (distance) P-C4' energy: -92.573
flat angles C4'-P-C4' energy: -77.879
flat angles P-C4'-P energy: -67.464
tors. eta vs tors. theta energy: -55.016
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: 79
Temperature: 1.100000
Total energy: -666.352888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -666.352888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -666.352888 (E_RNA)
where:
Base-Base interactions energy: -334.918
where: short stacking energy: -219.601
Base-Backbone interact. energy: -0.421
local terms energy: -331.013314
where:
bonds (distance) C4'-P energy: -84.536
bonds (distance) P-C4' energy: -83.300
flat angles C4'-P-C4' energy: -85.126
flat angles P-C4'-P energy: -40.618
tors. eta vs tors. theta energy: -37.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 79
Temperature: 1.150000
Total energy: -583.910089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -583.910089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -583.910089 (E_RNA)
where:
Base-Base interactions energy: -258.709
where: short stacking energy: -176.007
Base-Backbone interact. energy: -0.819
local terms energy: -324.381522
where:
bonds (distance) C4'-P energy: -75.946
bonds (distance) P-C4' energy: -100.740
flat angles C4'-P-C4' energy: -65.222
flat angles P-C4'-P energy: -46.870
tors. eta vs tors. theta energy: -35.603
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 79
Temperature: 1.200000
Total energy: -444.839461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -444.839461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -444.839461 (E_RNA)
where:
Base-Base interactions energy: -164.433
where: short stacking energy: -142.338
Base-Backbone interact. energy: 0.337
local terms energy: -280.743380
where:
bonds (distance) C4'-P energy: -72.229
bonds (distance) P-C4' energy: -84.485
flat angles C4'-P-C4' energy: -75.133
flat angles P-C4'-P energy: -52.053
tors. eta vs tors. theta energy: 3.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 79
Temperature: 1.250000
Total energy: -418.778647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.778647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.778647 (E_RNA)
where:
Base-Base interactions energy: -132.208
where: short stacking energy: -115.840
Base-Backbone interact. energy: 0.008
local terms energy: -286.579538
where:
bonds (distance) C4'-P energy: -84.501
bonds (distance) P-C4' energy: -73.786
flat angles C4'-P-C4' energy: -89.230
flat angles P-C4'-P energy: -35.672
tors. eta vs tors. theta energy: -3.390
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 79
Temperature: 1.300000
Total energy: -376.913395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -376.913395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -376.913395 (E_RNA)
where:
Base-Base interactions energy: -126.724
where: short stacking energy: -117.039
Base-Backbone interact. energy: 2.678
local terms energy: -252.866883
where:
bonds (distance) C4'-P energy: -74.243
bonds (distance) P-C4' energy: -73.551
flat angles C4'-P-C4' energy: -66.539
flat angles P-C4'-P energy: -43.381
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: 8
=====================================
Write number: 79
Temperature: 1.350000
Total energy: -366.972662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.972662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.972662 (E_RNA)
where:
Base-Base interactions energy: -131.186
where: short stacking energy: -103.379
Base-Backbone interact. energy: 0.740
local terms energy: -236.526718
where:
bonds (distance) C4'-P energy: -71.014
bonds (distance) P-C4' energy: -75.717
flat angles C4'-P-C4' energy: -75.133
flat angles P-C4'-P energy: -33.848
tors. eta vs tors. theta energy: 19.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 80
Temperature: 0.900000
Total energy: -1236.115469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1236.115469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1236.115469 (E_RNA)
where:
Base-Base interactions energy: -738.700
where: short stacking energy: -430.211
Base-Backbone interact. energy: -1.824
local terms energy: -495.590971
where:
bonds (distance) C4'-P energy: -96.076
bonds (distance) P-C4' energy: -98.687
flat angles C4'-P-C4' energy: -109.364
flat angles P-C4'-P energy: -65.845
tors. eta vs tors. theta energy: -125.618
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: 2
=====================================
Write number: 80
Temperature: 0.950000
Total energy: -1043.628861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1043.628861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1043.628861 (E_RNA)
where:
Base-Base interactions energy: -587.171
where: short stacking energy: -392.045
Base-Backbone interact. energy: -3.014
local terms energy: -453.443924
where:
bonds (distance) C4'-P energy: -79.723
bonds (distance) P-C4' energy: -96.708
flat angles C4'-P-C4' energy: -101.010
flat angles P-C4'-P energy: -59.959
tors. eta vs tors. theta energy: -116.044
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 80
Temperature: 1.000000
Total energy: -1024.197573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1024.197573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1024.197573 (E_RNA)
where:
Base-Base interactions energy: -591.679
where: short stacking energy: -365.064
Base-Backbone interact. energy: -0.910
local terms energy: -431.608182
where:
bonds (distance) C4'-P energy: -87.713
bonds (distance) P-C4' energy: -81.070
flat angles C4'-P-C4' energy: -98.467
flat angles P-C4'-P energy: -67.731
tors. eta vs tors. theta energy: -96.626
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 80
Temperature: 1.050000
Total energy: -779.084482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -779.084482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -779.084482 (E_RNA)
where:
Base-Base interactions energy: -405.074
where: short stacking energy: -270.794
Base-Backbone interact. energy: -1.390
local terms energy: -372.620672
where:
bonds (distance) C4'-P energy: -77.707
bonds (distance) P-C4' energy: -93.024
flat angles C4'-P-C4' energy: -93.862
flat angles P-C4'-P energy: -58.655
tors. eta vs tors. theta energy: -49.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 80
Temperature: 1.100000
Total energy: -639.321039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -639.321039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -639.321039 (E_RNA)
where:
Base-Base interactions energy: -313.088
where: short stacking energy: -204.845
Base-Backbone interact. energy: -1.332
local terms energy: -324.900554
where:
bonds (distance) C4'-P energy: -64.382
bonds (distance) P-C4' energy: -78.941
flat angles C4'-P-C4' energy: -84.869
flat angles P-C4'-P energy: -49.299
tors. eta vs tors. theta energy: -47.411
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 80
Temperature: 1.150000
Total energy: -584.409166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -584.409166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -584.409166 (E_RNA)
where:
Base-Base interactions energy: -248.810
where: short stacking energy: -198.937
Base-Backbone interact. energy: -0.599
local terms energy: -334.999380
where:
bonds (distance) C4'-P energy: -83.038
bonds (distance) P-C4' energy: -80.356
flat angles C4'-P-C4' energy: -78.609
flat angles P-C4'-P energy: -59.400
tors. eta vs tors. theta energy: -33.597
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 80
Temperature: 1.200000
Total energy: -457.168905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -457.168905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -457.168905 (E_RNA)
where:
Base-Base interactions energy: -156.770
where: short stacking energy: -119.602
Base-Backbone interact. energy: -1.667
local terms energy: -298.731462
where:
bonds (distance) C4'-P energy: -74.112
bonds (distance) P-C4' energy: -79.643
flat angles C4'-P-C4' energy: -74.131
flat angles P-C4'-P energy: -64.108
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: 8, replica: 3
=====================================
Write number: 80
Temperature: 1.250000
Total energy: -407.489934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.489934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -407.489934 (E_RNA)
where:
Base-Base interactions energy: -156.026
where: short stacking energy: -140.761
Base-Backbone interact. energy: -1.376
local terms energy: -250.088389
where:
bonds (distance) C4'-P energy: -76.098
bonds (distance) P-C4' energy: -85.464
flat angles C4'-P-C4' energy: -49.742
flat angles P-C4'-P energy: -35.877
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: 9, replica: 8
=====================================
Write number: 80
Temperature: 1.300000
Total energy: -398.762476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -398.762476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -398.762476 (E_RNA)
where:
Base-Base interactions energy: -144.503
where: short stacking energy: -130.620
Base-Backbone interact. energy: 1.076
local terms energy: -255.335755
where:
bonds (distance) C4'-P energy: -74.917
bonds (distance) P-C4' energy: -80.291
flat angles C4'-P-C4' energy: -62.208
flat angles P-C4'-P energy: -32.327
tors. eta vs tors. theta energy: -5.593
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 80
Temperature: 1.350000
Total energy: -344.883649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.883649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.883649 (E_RNA)
where:
Base-Base interactions energy: -93.216
where: short stacking energy: -80.823
Base-Backbone interact. energy: -0.847
local terms energy: -250.820448
where:
bonds (distance) C4'-P energy: -68.493
bonds (distance) P-C4' energy: -79.210
flat angles C4'-P-C4' energy: -69.620
flat angles P-C4'-P energy: -48.751
tors. eta vs tors. theta energy: 15.254
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 81
Temperature: 0.900000
Total energy: -1192.362178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1192.362178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1192.362178 (E_RNA)
where:
Base-Base interactions energy: -706.456
where: short stacking energy: -391.558
Base-Backbone interact. energy: -2.482
local terms energy: -483.424474
where:
bonds (distance) C4'-P energy: -90.813
bonds (distance) P-C4' energy: -91.029
flat angles C4'-P-C4' energy: -104.799
flat angles P-C4'-P energy: -84.989
tors. eta vs tors. theta energy: -111.794
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 81
Temperature: 0.950000
Total energy: -1012.316109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1012.316109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1012.316109 (E_RNA)
where:
Base-Base interactions energy: -557.014
where: short stacking energy: -353.267
Base-Backbone interact. energy: -1.611
local terms energy: -453.690990
where:
bonds (distance) C4'-P energy: -94.493
bonds (distance) P-C4' energy: -98.912
flat angles C4'-P-C4' energy: -100.583
flat angles P-C4'-P energy: -66.048
tors. eta vs tors. theta energy: -93.655
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 81
Temperature: 1.000000
Total energy: -976.674757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -976.674757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -976.674757 (E_RNA)
where:
Base-Base interactions energy: -563.504
where: short stacking energy: -334.507
Base-Backbone interact. energy: -0.983
local terms energy: -412.188378
where:
bonds (distance) C4'-P energy: -89.391
bonds (distance) P-C4' energy: -88.436
flat angles C4'-P-C4' energy: -89.852
flat angles P-C4'-P energy: -53.262
tors. eta vs tors. theta energy: -91.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 81
Temperature: 1.050000
Total energy: -773.323240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -773.323240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -773.323240 (E_RNA)
where:
Base-Base interactions energy: -402.988
where: short stacking energy: -278.492
Base-Backbone interact. energy: -1.956
local terms energy: -368.379589
where:
bonds (distance) C4'-P energy: -79.797
bonds (distance) P-C4' energy: -93.112
flat angles C4'-P-C4' energy: -86.707
flat angles P-C4'-P energy: -49.124
tors. eta vs tors. theta energy: -59.638
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 81
Temperature: 1.100000
Total energy: -651.679849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -651.679849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -651.679849 (E_RNA)
where:
Base-Base interactions energy: -304.550
where: short stacking energy: -213.448
Base-Backbone interact. energy: -0.561
local terms energy: -346.568821
where:
bonds (distance) C4'-P energy: -94.690
bonds (distance) P-C4' energy: -84.389
flat angles C4'-P-C4' energy: -81.699
flat angles P-C4'-P energy: -39.232
tors. eta vs tors. theta energy: -46.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 81
Temperature: 1.150000
Total energy: -576.769601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -576.769601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -576.769601 (E_RNA)
where:
Base-Base interactions energy: -266.461
where: short stacking energy: -192.965
Base-Backbone interact. energy: -0.540
local terms energy: -309.768790
where:
bonds (distance) C4'-P energy: -88.747
bonds (distance) P-C4' energy: -89.907
flat angles C4'-P-C4' energy: -68.060
flat angles P-C4'-P energy: -42.430
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: 7, replica: 9
=====================================
Write number: 81
Temperature: 1.200000
Total energy: -465.946539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -465.946539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -465.946539 (E_RNA)
where:
Base-Base interactions energy: -179.596
where: short stacking energy: -150.316
Base-Backbone interact. energy: 1.839
local terms energy: -288.190035
where:
bonds (distance) C4'-P energy: -82.834
bonds (distance) P-C4' energy: -83.908
flat angles C4'-P-C4' energy: -80.981
flat angles P-C4'-P energy: -31.951
tors. eta vs tors. theta energy: -8.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 81
Temperature: 1.250000
Total energy: -403.906621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.906621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -403.906621 (E_RNA)
where:
Base-Base interactions energy: -130.732
where: short stacking energy: -114.424
Base-Backbone interact. energy: 2.243
local terms energy: -275.417513
where:
bonds (distance) C4'-P energy: -87.716
bonds (distance) P-C4' energy: -90.356
flat angles C4'-P-C4' energy: -53.571
flat angles P-C4'-P energy: -41.576
tors. eta vs tors. theta energy: -2.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 81
Temperature: 1.300000
Total energy: -376.488163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -376.488163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -376.488163 (E_RNA)
where:
Base-Base interactions energy: -136.582
where: short stacking energy: -122.509
Base-Backbone interact. energy: 1.807
local terms energy: -241.713774
where:
bonds (distance) C4'-P energy: -70.980
bonds (distance) P-C4' energy: -79.318
flat angles C4'-P-C4' energy: -52.848
flat angles P-C4'-P energy: -49.296
tors. eta vs tors. theta energy: 10.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 81
Temperature: 1.350000
Total energy: -355.138055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.138055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.138055 (E_RNA)
where:
Base-Base interactions energy: -111.637
where: short stacking energy: -98.834
Base-Backbone interact. energy: -1.315
local terms energy: -242.185621
where:
bonds (distance) C4'-P energy: -71.012
bonds (distance) P-C4' energy: -76.980
flat angles C4'-P-C4' energy: -81.855
flat angles P-C4'-P energy: -36.405
tors. eta vs tors. theta energy: 24.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 82
Temperature: 0.900000
Total energy: -1206.690501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1206.690501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1206.690501 (E_RNA)
where:
Base-Base interactions energy: -735.852
where: short stacking energy: -399.590
Base-Backbone interact. energy: -3.267
local terms energy: -467.571890
where:
bonds (distance) C4'-P energy: -92.856
bonds (distance) P-C4' energy: -94.718
flat angles C4'-P-C4' energy: -99.385
flat angles P-C4'-P energy: -63.046
tors. eta vs tors. theta energy: -117.567
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: 2
=====================================
Write number: 82
Temperature: 0.950000
Total energy: -1021.652485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1021.652485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1021.652485 (E_RNA)
where:
Base-Base interactions energy: -589.468
where: short stacking energy: -361.103
Base-Backbone interact. energy: -2.357
local terms energy: -429.827639
where:
bonds (distance) C4'-P energy: -86.105
bonds (distance) P-C4' energy: -78.665
flat angles C4'-P-C4' energy: -99.461
flat angles P-C4'-P energy: -68.885
tors. eta vs tors. theta energy: -96.711
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: 4
=====================================
Write number: 82
Temperature: 1.000000
Total energy: -1028.045712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1028.045712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1028.045712 (E_RNA)
where:
Base-Base interactions energy: -605.293
where: short stacking energy: -354.590
Base-Backbone interact. energy: -0.730
local terms energy: -422.022592
where:
bonds (distance) C4'-P energy: -80.049
bonds (distance) P-C4' energy: -92.745
flat angles C4'-P-C4' energy: -94.960
flat angles P-C4'-P energy: -58.573
tors. eta vs tors. theta energy: -95.695
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: 7
=====================================
Write number: 82
Temperature: 1.050000
Total energy: -782.445906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -782.445906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -782.445906 (E_RNA)
where:
Base-Base interactions energy: -393.184
where: short stacking energy: -272.845
Base-Backbone interact. energy: -2.036
local terms energy: -387.225856
where:
bonds (distance) C4'-P energy: -86.723
bonds (distance) P-C4' energy: -87.572
flat angles C4'-P-C4' energy: -88.190
flat angles P-C4'-P energy: -56.571
tors. eta vs tors. theta energy: -68.170
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: 5, replica: 5
=====================================
Write number: 82
Temperature: 1.100000
Total energy: -665.261160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -665.261160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -665.261160 (E_RNA)
where:
Base-Base interactions energy: -352.289
where: short stacking energy: -229.242
Base-Backbone interact. energy: -1.510
local terms energy: -311.462661
where:
bonds (distance) C4'-P energy: -71.617
bonds (distance) P-C4' energy: -75.684
flat angles C4'-P-C4' energy: -82.418
flat angles P-C4'-P energy: -45.517
tors. eta vs tors. theta energy: -36.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 82
Temperature: 1.150000
Total energy: -568.604441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -568.604441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -568.604441 (E_RNA)
where:
Base-Base interactions energy: -238.463
where: short stacking energy: -169.773
Base-Backbone interact. energy: -1.397
local terms energy: -328.744180
where:
bonds (distance) C4'-P energy: -81.010
bonds (distance) P-C4' energy: -93.783
flat angles C4'-P-C4' energy: -74.005
flat angles P-C4'-P energy: -59.199
tors. eta vs tors. theta energy: -20.748
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: 7, replica: 3
=====================================
Write number: 82
Temperature: 1.200000
Total energy: -456.892057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -456.892057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -456.892057 (E_RNA)
where:
Base-Base interactions energy: -195.175
where: short stacking energy: -164.490
Base-Backbone interact. energy: 0.815
local terms energy: -262.532221
where:
bonds (distance) C4'-P energy: -64.931
bonds (distance) P-C4' energy: -85.993
flat angles C4'-P-C4' energy: -73.619
flat angles P-C4'-P energy: -32.074
tors. eta vs tors. theta energy: -5.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 82
Temperature: 1.250000
Total energy: -406.980756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.980756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -406.980756 (E_RNA)
where:
Base-Base interactions energy: -149.187
where: short stacking energy: -140.277
Base-Backbone interact. energy: -1.253
local terms energy: -256.541111
where:
bonds (distance) C4'-P energy: -73.172
bonds (distance) P-C4' energy: -76.917
flat angles C4'-P-C4' energy: -68.285
flat angles P-C4'-P energy: -41.620
tors. eta vs tors. theta energy: 3.451
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: 8
=====================================
Write number: 82
Temperature: 1.300000
Total energy: -366.063313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.063313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.063313 (E_RNA)
where:
Base-Base interactions energy: -129.579
where: short stacking energy: -98.763
Base-Backbone interact. energy: 1.600
local terms energy: -238.085007
where:
bonds (distance) C4'-P energy: -75.047
bonds (distance) P-C4' energy: -82.954
flat angles C4'-P-C4' energy: -66.981
flat angles P-C4'-P energy: -31.615
tors. eta vs tors. theta energy: 18.513
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: 10
=====================================
Write number: 82
Temperature: 1.350000
Total energy: -364.378510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.378510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.378510 (E_RNA)
where:
Base-Base interactions energy: -117.135
where: short stacking energy: -87.131
Base-Backbone interact. energy: 5.488
local terms energy: -252.731291
where:
bonds (distance) C4'-P energy: -76.491
bonds (distance) P-C4' energy: -89.578
flat angles C4'-P-C4' energy: -71.179
flat angles P-C4'-P energy: -34.839
tors. eta vs tors. theta energy: 19.356
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 83
Temperature: 0.900000
Total energy: -1186.909992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1186.909992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1186.909992 (E_RNA)
where:
Base-Base interactions energy: -707.114
where: short stacking energy: -394.417
Base-Backbone interact. energy: -0.637
local terms energy: -479.159168
where:
bonds (distance) C4'-P energy: -96.304
bonds (distance) P-C4' energy: -90.949
flat angles C4'-P-C4' energy: -101.967
flat angles P-C4'-P energy: -74.941
tors. eta vs tors. theta energy: -114.997
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: 2
=====================================
Write number: 83
Temperature: 0.950000
Total energy: -1038.698043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1038.698043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1038.698043 (E_RNA)
where:
Base-Base interactions energy: -587.832
where: short stacking energy: -377.024
Base-Backbone interact. energy: -0.420
local terms energy: -450.446605
where:
bonds (distance) C4'-P energy: -97.858
bonds (distance) P-C4' energy: -101.705
flat angles C4'-P-C4' energy: -98.170
flat angles P-C4'-P energy: -45.837
tors. eta vs tors. theta energy: -106.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 83
Temperature: 1.000000
Total energy: -912.657629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -912.657629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -912.657629 (E_RNA)
where:
Base-Base interactions energy: -486.191
where: short stacking energy: -281.042
Base-Backbone interact. energy: -1.401
local terms energy: -425.065581
where:
bonds (distance) C4'-P energy: -98.012
bonds (distance) P-C4' energy: -94.771
flat angles C4'-P-C4' energy: -98.505
flat angles P-C4'-P energy: -61.379
tors. eta vs tors. theta energy: -72.399
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: 7
=====================================
Write number: 83
Temperature: 1.050000
Total energy: -792.418548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -792.418548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -792.418548 (E_RNA)
where:
Base-Base interactions energy: -410.693
where: short stacking energy: -268.036
Base-Backbone interact. energy: -1.093
local terms energy: -380.633080
where:
bonds (distance) C4'-P energy: -78.635
bonds (distance) P-C4' energy: -86.372
flat angles C4'-P-C4' energy: -83.838
flat angles P-C4'-P energy: -60.821
tors. eta vs tors. theta energy: -70.968
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 83
Temperature: 1.100000
Total energy: -635.161917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -635.161917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -635.161917 (E_RNA)
where:
Base-Base interactions energy: -327.153
where: short stacking energy: -208.401
Base-Backbone interact. energy: -1.224
local terms energy: -306.784742
where:
bonds (distance) C4'-P energy: -71.481
bonds (distance) P-C4' energy: -81.998
flat angles C4'-P-C4' energy: -84.363
flat angles P-C4'-P energy: -39.641
tors. eta vs tors. theta energy: -29.302
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 83
Temperature: 1.150000
Total energy: -560.364895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -560.364895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -560.364895 (E_RNA)
where:
Base-Base interactions energy: -245.997
where: short stacking energy: -180.148
Base-Backbone interact. energy: -1.126
local terms energy: -313.241374
where:
bonds (distance) C4'-P energy: -92.090
bonds (distance) P-C4' energy: -80.472
flat angles C4'-P-C4' energy: -74.473
flat angles P-C4'-P energy: -46.736
tors. eta vs tors. theta energy: -19.471
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 83
Temperature: 1.200000
Total energy: -457.047434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -457.047434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -457.047434 (E_RNA)
where:
Base-Base interactions energy: -160.717
where: short stacking energy: -152.621
Base-Backbone interact. energy: -1.240
local terms energy: -295.090281
where:
bonds (distance) C4'-P energy: -75.593
bonds (distance) P-C4' energy: -82.073
flat angles C4'-P-C4' energy: -81.789
flat angles P-C4'-P energy: -52.750
tors. eta vs tors. theta energy: -2.885
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 83
Temperature: 1.250000
Total energy: -424.939542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -424.939542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -424.939542 (E_RNA)
where:
Base-Base interactions energy: -142.395
where: short stacking energy: -128.541
Base-Backbone interact. energy: 1.471
local terms energy: -284.015393
where:
bonds (distance) C4'-P energy: -83.306
bonds (distance) P-C4' energy: -92.951
flat angles C4'-P-C4' energy: -72.452
flat angles P-C4'-P energy: -48.187
tors. eta vs tors. theta energy: 12.880
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 83
Temperature: 1.300000
Total energy: -373.777031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.777031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.777031 (E_RNA)
where:
Base-Base interactions energy: -107.933
where: short stacking energy: -88.681
Base-Backbone interact. energy: 3.413
local terms energy: -269.257436
where:
bonds (distance) C4'-P energy: -67.637
bonds (distance) P-C4' energy: -85.475
flat angles C4'-P-C4' energy: -63.994
flat angles P-C4'-P energy: -57.517
tors. eta vs tors. theta energy: 5.365
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: 10, replica: 10
=====================================
Write number: 83
Temperature: 1.350000
Total energy: -368.827848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.827848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.827848 (E_RNA)
where:
Base-Base interactions energy: -121.899
where: short stacking energy: -114.063
Base-Backbone interact. energy: 0.653
local terms energy: -247.582497
where:
bonds (distance) C4'-P energy: -77.025
bonds (distance) P-C4' energy: -77.790
flat angles C4'-P-C4' energy: -66.066
flat angles P-C4'-P energy: -29.424
tors. eta vs tors. theta energy: 2.723
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: 1
=====================================
Write number: 84
Temperature: 0.900000
Total energy: -1189.576954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1189.576954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1189.576954 (E_RNA)
where:
Base-Base interactions energy: -734.045
where: short stacking energy: -387.431
Base-Backbone interact. energy: -0.742
local terms energy: -454.789491
where:
bonds (distance) C4'-P energy: -92.683
bonds (distance) P-C4' energy: -86.311
flat angles C4'-P-C4' energy: -101.973
flat angles P-C4'-P energy: -64.484
tors. eta vs tors. theta energy: -109.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 84
Temperature: 0.950000
Total energy: -1061.785682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1061.785682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1061.785682 (E_RNA)
where:
Base-Base interactions energy: -617.925
where: short stacking energy: -376.675
Base-Backbone interact. energy: -0.134
local terms energy: -443.726613
where:
bonds (distance) C4'-P energy: -91.344
bonds (distance) P-C4' energy: -83.766
flat angles C4'-P-C4' energy: -96.103
flat angles P-C4'-P energy: -63.880
tors. eta vs tors. theta energy: -108.635
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 84
Temperature: 1.000000
Total energy: -957.370520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -957.370520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -957.370520 (E_RNA)
where:
Base-Base interactions energy: -570.395
where: short stacking energy: -334.017
Base-Backbone interact. energy: -2.483
local terms energy: -384.492536
where:
bonds (distance) C4'-P energy: -71.915
bonds (distance) P-C4' energy: -89.596
flat angles C4'-P-C4' energy: -89.082
flat angles P-C4'-P energy: -50.751
tors. eta vs tors. theta energy: -83.148
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: 7
=====================================
Write number: 84
Temperature: 1.050000
Total energy: -813.583320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -813.583320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -813.583320 (E_RNA)
where:
Base-Base interactions energy: -417.672
where: short stacking energy: -254.417
Base-Backbone interact. energy: -0.897
local terms energy: -395.014421
where:
bonds (distance) C4'-P energy: -96.118
bonds (distance) P-C4' energy: -91.594
flat angles C4'-P-C4' energy: -93.378
flat angles P-C4'-P energy: -60.320
tors. eta vs tors. theta energy: -53.604
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 84
Temperature: 1.100000
Total energy: -695.435531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -695.435531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -695.435531 (E_RNA)
where:
Base-Base interactions energy: -359.295
where: short stacking energy: -238.218
Base-Backbone interact. energy: -0.362
local terms energy: -335.778473
where:
bonds (distance) C4'-P energy: -78.381
bonds (distance) P-C4' energy: -81.010
flat angles C4'-P-C4' energy: -84.696
flat angles P-C4'-P energy: -51.709
tors. eta vs tors. theta energy: -39.984
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 84
Temperature: 1.150000
Total energy: -575.357487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -575.357487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -575.357487 (E_RNA)
where:
Base-Base interactions energy: -265.110
where: short stacking energy: -176.382
Base-Backbone interact. energy: 0.899
local terms energy: -311.146271
where:
bonds (distance) C4'-P energy: -79.340
bonds (distance) P-C4' energy: -80.906
flat angles C4'-P-C4' energy: -76.085
flat angles P-C4'-P energy: -49.652
tors. eta vs tors. theta energy: -25.164
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 84
Temperature: 1.200000
Total energy: -456.644094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -456.644094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -456.644094 (E_RNA)
where:
Base-Base interactions energy: -195.273
where: short stacking energy: -161.493
Base-Backbone interact. energy: -1.922
local terms energy: -259.448717
where:
bonds (distance) C4'-P energy: -57.023
bonds (distance) P-C4' energy: -85.219
flat angles C4'-P-C4' energy: -65.565
flat angles P-C4'-P energy: -52.796
tors. eta vs tors. theta energy: 1.154
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: 3
=====================================
Write number: 84
Temperature: 1.250000
Total energy: -403.074033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.074033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -403.074033 (E_RNA)
where:
Base-Base interactions energy: -137.590
where: short stacking energy: -124.095
Base-Backbone interact. energy: -2.460
local terms energy: -263.023617
where:
bonds (distance) C4'-P energy: -70.891
bonds (distance) P-C4' energy: -70.929
flat angles C4'-P-C4' energy: -76.008
flat angles P-C4'-P energy: -44.038
tors. eta vs tors. theta energy: -1.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 84
Temperature: 1.300000
Total energy: -373.831234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.831234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.831234 (E_RNA)
where:
Base-Base interactions energy: -123.079
where: short stacking energy: -107.150
Base-Backbone interact. energy: 3.696
local terms energy: -254.447945
where:
bonds (distance) C4'-P energy: -69.204
bonds (distance) P-C4' energy: -69.763
flat angles C4'-P-C4' energy: -78.390
flat angles P-C4'-P energy: -40.788
tors. eta vs tors. theta energy: 3.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 84
Temperature: 1.350000
Total energy: -363.008605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.008605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.008605 (E_RNA)
where:
Base-Base interactions energy: -102.872
where: short stacking energy: -99.729
Base-Backbone interact. energy: -1.631
local terms energy: -258.505853
where:
bonds (distance) C4'-P energy: -84.666
bonds (distance) P-C4' energy: -93.055
flat angles C4'-P-C4' energy: -53.365
flat angles P-C4'-P energy: -40.835
tors. eta vs tors. theta energy: 13.415
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 85
Temperature: 0.900000
Total energy: -1175.492557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1175.492557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1175.492557 (E_RNA)
where:
Base-Base interactions energy: -695.325
where: short stacking energy: -399.648
Base-Backbone interact. energy: -0.603
local terms energy: -479.564943
where:
bonds (distance) C4'-P energy: -92.010
bonds (distance) P-C4' energy: -95.139
flat angles C4'-P-C4' energy: -103.655
flat angles P-C4'-P energy: -72.579
tors. eta vs tors. theta energy: -116.183
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: 2
=====================================
Write number: 85
Temperature: 0.950000
Total energy: -1034.940292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1034.940292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1034.940292 (E_RNA)
where:
Base-Base interactions energy: -578.077
where: short stacking energy: -348.388
Base-Backbone interact. energy: -1.894
local terms energy: -454.968931
where:
bonds (distance) C4'-P energy: -91.668
bonds (distance) P-C4' energy: -96.322
flat angles C4'-P-C4' energy: -95.651
flat angles P-C4'-P energy: -72.988
tors. eta vs tors. theta energy: -98.340
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: 4
=====================================
Write number: 85
Temperature: 1.000000
Total energy: -975.119388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -975.119388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -975.119388 (E_RNA)
where:
Base-Base interactions energy: -556.204
where: short stacking energy: -342.485
Base-Backbone interact. energy: -1.537
local terms energy: -417.378078
where:
bonds (distance) C4'-P energy: -93.611
bonds (distance) P-C4' energy: -95.712
flat angles C4'-P-C4' energy: -89.736
flat angles P-C4'-P energy: -51.491
tors. eta vs tors. theta energy: -86.828
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 85
Temperature: 1.050000
Total energy: -800.747516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -800.747516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -800.747516 (E_RNA)
where:
Base-Base interactions energy: -406.490
where: short stacking energy: -264.706
Base-Backbone interact. energy: -0.575
local terms energy: -393.682122
where:
bonds (distance) C4'-P energy: -92.661
bonds (distance) P-C4' energy: -85.568
flat angles C4'-P-C4' energy: -98.452
flat angles P-C4'-P energy: -54.162
tors. eta vs tors. theta energy: -62.839
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 85
Temperature: 1.100000
Total energy: -665.722551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -665.722551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -665.722551 (E_RNA)
where:
Base-Base interactions energy: -309.359
where: short stacking energy: -226.672
Base-Backbone interact. energy: -0.488
local terms energy: -355.875312
where:
bonds (distance) C4'-P energy: -82.204
bonds (distance) P-C4' energy: -77.491
flat angles C4'-P-C4' energy: -94.866
flat angles P-C4'-P energy: -57.119
tors. eta vs tors. theta energy: -44.196
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: 85
Temperature: 1.150000
Total energy: -589.812960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -589.812960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -589.812960 (E_RNA)
where:
Base-Base interactions energy: -286.183
where: short stacking energy: -184.473
Base-Backbone interact. energy: -0.556
local terms energy: -303.074494
where:
bonds (distance) C4'-P energy: -84.249
bonds (distance) P-C4' energy: -70.271
flat angles C4'-P-C4' energy: -83.549
flat angles P-C4'-P energy: -45.244
tors. eta vs tors. theta energy: -19.761
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 85
Temperature: 1.200000
Total energy: -463.291849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -463.291849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -463.291849 (E_RNA)
where:
Base-Base interactions energy: -165.203
where: short stacking energy: -148.207
Base-Backbone interact. energy: 4.259
local terms energy: -302.348243
where:
bonds (distance) C4'-P energy: -81.087
bonds (distance) P-C4' energy: -92.411
flat angles C4'-P-C4' energy: -75.469
flat angles P-C4'-P energy: -45.744
tors. eta vs tors. theta energy: -7.637
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 85
Temperature: 1.250000
Total energy: -423.254833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -423.254833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -423.254833 (E_RNA)
where:
Base-Base interactions energy: -165.474
where: short stacking energy: -150.033
Base-Backbone interact. energy: 3.688
local terms energy: -261.468920
where:
bonds (distance) C4'-P energy: -65.453
bonds (distance) P-C4' energy: -77.272
flat angles C4'-P-C4' energy: -67.789
flat angles P-C4'-P energy: -40.120
tors. eta vs tors. theta energy: -10.835
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: 9
=====================================
Write number: 85
Temperature: 1.300000
Total energy: -394.249141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -394.249141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -394.249141 (E_RNA)
where:
Base-Base interactions energy: -117.693
where: short stacking energy: -114.302
Base-Backbone interact. energy: 6.032
local terms energy: -282.588297
where:
bonds (distance) C4'-P energy: -78.600
bonds (distance) P-C4' energy: -82.617
flat angles C4'-P-C4' energy: -72.820
flat angles P-C4'-P energy: -37.342
tors. eta vs tors. theta energy: -11.209
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: 10
=====================================
Write number: 85
Temperature: 1.350000
Total energy: -373.434098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.434098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.434098 (E_RNA)
where:
Base-Base interactions energy: -122.446
where: short stacking energy: -122.286
Base-Backbone interact. energy: 1.006
local terms energy: -251.994332
where:
bonds (distance) C4'-P energy: -72.859
bonds (distance) P-C4' energy: -79.032
flat angles C4'-P-C4' energy: -62.369
flat angles P-C4'-P energy: -35.990
tors. eta vs tors. theta energy: -1.744
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 86
Temperature: 0.900000
Total energy: -1174.275423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1174.275423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1174.275423 (E_RNA)
where:
Base-Base interactions energy: -707.840
where: short stacking energy: -397.217
Base-Backbone interact. energy: -1.529
local terms energy: -464.906680
where:
bonds (distance) C4'-P energy: -96.845
bonds (distance) P-C4' energy: -88.456
flat angles C4'-P-C4' energy: -96.691
flat angles P-C4'-P energy: -71.119
tors. eta vs tors. theta energy: -111.797
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: 86
Temperature: 0.950000
Total energy: -1080.828893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1080.828893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1080.828893 (E_RNA)
where:
Base-Base interactions energy: -635.773
where: short stacking energy: -387.084
Base-Backbone interact. energy: 0.667
local terms energy: -445.723268
where:
bonds (distance) C4'-P energy: -84.176
bonds (distance) P-C4' energy: -87.146
flat angles C4'-P-C4' energy: -100.507
flat angles P-C4'-P energy: -54.193
tors. eta vs tors. theta energy: -119.703
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: 4
=====================================
Write number: 86
Temperature: 1.000000
Total energy: -955.778038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -955.778038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -955.778038 (E_RNA)
where:
Base-Base interactions energy: -546.183
where: short stacking energy: -347.215
Base-Backbone interact. energy: 0.041
local terms energy: -409.636011
where:
bonds (distance) C4'-P energy: -79.668
bonds (distance) P-C4' energy: -88.998
flat angles C4'-P-C4' energy: -99.886
flat angles P-C4'-P energy: -52.719
tors. eta vs tors. theta energy: -88.366
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: 4, replica: 7
=====================================
Write number: 86
Temperature: 1.050000
Total energy: -787.035477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -787.035477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -787.035477 (E_RNA)
where:
Base-Base interactions energy: -391.353
where: short stacking energy: -280.386
Base-Backbone interact. energy: 0.197
local terms energy: -395.880263
where:
bonds (distance) C4'-P energy: -82.645
bonds (distance) P-C4' energy: -85.401
flat angles C4'-P-C4' energy: -94.938
flat angles P-C4'-P energy: -56.086
tors. eta vs tors. theta energy: -76.809
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 86
Temperature: 1.100000
Total energy: -681.795885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -681.795885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -681.795885 (E_RNA)
where:
Base-Base interactions energy: -357.079
where: short stacking energy: -218.385
Base-Backbone interact. energy: -2.946
local terms energy: -321.770328
where:
bonds (distance) C4'-P energy: -84.623
bonds (distance) P-C4' energy: -86.344
flat angles C4'-P-C4' energy: -77.146
flat angles P-C4'-P energy: -48.267
tors. eta vs tors. theta energy: -25.391
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 86
Temperature: 1.150000
Total energy: -621.944775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -621.944775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -621.944775 (E_RNA)
where:
Base-Base interactions energy: -286.770
where: short stacking energy: -200.006
Base-Backbone interact. energy: -2.891
local terms energy: -332.283605
where:
bonds (distance) C4'-P energy: -71.672
bonds (distance) P-C4' energy: -85.849
flat angles C4'-P-C4' energy: -91.410
flat angles P-C4'-P energy: -41.446
tors. eta vs tors. theta energy: -41.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 86
Temperature: 1.200000
Total energy: -482.037883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.037883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -482.037883 (E_RNA)
where:
Base-Base interactions energy: -182.424
where: short stacking energy: -161.527
Base-Backbone interact. energy: 2.337
local terms energy: -301.951476
where:
bonds (distance) C4'-P energy: -80.850
bonds (distance) P-C4' energy: -85.013
flat angles C4'-P-C4' energy: -65.337
flat angles P-C4'-P energy: -48.806
tors. eta vs tors. theta energy: -21.947
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: 86
Temperature: 1.250000
Total energy: -398.654954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -398.654954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -398.654954 (E_RNA)
where:
Base-Base interactions energy: -146.187
where: short stacking energy: -125.825
Base-Backbone interact. energy: 0.743
local terms energy: -253.211048
where:
bonds (distance) C4'-P energy: -73.574
bonds (distance) P-C4' energy: -91.464
flat angles C4'-P-C4' energy: -74.293
flat angles P-C4'-P energy: -20.627
tors. eta vs tors. theta energy: 6.748
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: 9, replica: 9
=====================================
Write number: 86
Temperature: 1.300000
Total energy: -373.340087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.340087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.340087 (E_RNA)
where:
Base-Base interactions energy: -114.764
where: short stacking energy: -106.074
Base-Backbone interact. energy: 1.095
local terms energy: -259.670518
where:
bonds (distance) C4'-P energy: -77.845
bonds (distance) P-C4' energy: -79.474
flat angles C4'-P-C4' energy: -75.465
flat angles P-C4'-P energy: -38.850
tors. eta vs tors. theta energy: 11.964
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 86
Temperature: 1.350000
Total energy: -365.087599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.087599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.087599 (E_RNA)
where:
Base-Base interactions energy: -138.638
where: short stacking energy: -116.731
Base-Backbone interact. energy: 1.190
local terms energy: -227.640202
where:
bonds (distance) C4'-P energy: -68.879
bonds (distance) P-C4' energy: -73.619
flat angles C4'-P-C4' energy: -62.878
flat angles P-C4'-P energy: -36.028
tors. eta vs tors. theta energy: 13.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 87
Temperature: 0.900000
Total energy: -1159.950518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1159.950518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1159.950518 (E_RNA)
where:
Base-Base interactions energy: -690.240
where: short stacking energy: -369.984
Base-Backbone interact. energy: -2.252
local terms energy: -467.458553
where:
bonds (distance) C4'-P energy: -102.827
bonds (distance) P-C4' energy: -90.713
flat angles C4'-P-C4' energy: -94.803
flat angles P-C4'-P energy: -82.609
tors. eta vs tors. theta energy: -96.506
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 87
Temperature: 0.950000
Total energy: -1001.911534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1001.911534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1001.911534 (E_RNA)
where:
Base-Base interactions energy: -574.532
where: short stacking energy: -341.584
Base-Backbone interact. energy: -1.635
local terms energy: -425.745042
where:
bonds (distance) C4'-P energy: -77.863
bonds (distance) P-C4' energy: -92.706
flat angles C4'-P-C4' energy: -93.968
flat angles P-C4'-P energy: -64.472
tors. eta vs tors. theta energy: -96.736
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: 2
=====================================
Write number: 87
Temperature: 1.000000
Total energy: -1028.097399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1028.097399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1028.097399 (E_RNA)
where:
Base-Base interactions energy: -578.342
where: short stacking energy: -343.632
Base-Backbone interact. energy: -2.925
local terms energy: -446.831281
where:
bonds (distance) C4'-P energy: -98.476
bonds (distance) P-C4' energy: -97.321
flat angles C4'-P-C4' energy: -88.824
flat angles P-C4'-P energy: -63.305
tors. eta vs tors. theta energy: -98.905
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 87
Temperature: 1.050000
Total energy: -735.104071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -735.104071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -735.104071 (E_RNA)
where:
Base-Base interactions energy: -379.917
where: short stacking energy: -261.635
Base-Backbone interact. energy: -1.894
local terms energy: -353.292990
where:
bonds (distance) C4'-P energy: -85.438
bonds (distance) P-C4' energy: -89.542
flat angles C4'-P-C4' energy: -78.124
flat angles P-C4'-P energy: -51.370
tors. eta vs tors. theta energy: -48.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 87
Temperature: 1.100000
Total energy: -728.834447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -728.834447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -728.834447 (E_RNA)
where:
Base-Base interactions energy: -374.892
where: short stacking energy: -237.238
Base-Backbone interact. energy: 0.117
local terms energy: -354.058879
where:
bonds (distance) C4'-P energy: -82.011
bonds (distance) P-C4' energy: -76.129
flat angles C4'-P-C4' energy: -100.561
flat angles P-C4'-P energy: -44.258
tors. eta vs tors. theta energy: -51.101
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: 5
=====================================
Write number: 87
Temperature: 1.150000
Total energy: -611.291836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -611.291836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -611.291836 (E_RNA)
where:
Base-Base interactions energy: -294.706
where: short stacking energy: -177.626
Base-Backbone interact. energy: 5.746
local terms energy: -322.331664
where:
bonds (distance) C4'-P energy: -84.636
bonds (distance) P-C4' energy: -89.461
flat angles C4'-P-C4' energy: -84.694
flat angles P-C4'-P energy: -44.371
tors. eta vs tors. theta energy: -19.170
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 87
Temperature: 1.200000
Total energy: -460.777745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -460.777745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -460.777745 (E_RNA)
where:
Base-Base interactions energy: -167.679
where: short stacking energy: -161.606
Base-Backbone interact. energy: 2.315
local terms energy: -295.413310
where:
bonds (distance) C4'-P energy: -71.756
bonds (distance) P-C4' energy: -78.705
flat angles C4'-P-C4' energy: -72.938
flat angles P-C4'-P energy: -52.452
tors. eta vs tors. theta energy: -19.563
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 87
Temperature: 1.250000
Total energy: -415.619762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -415.619762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -415.619762 (E_RNA)
where:
Base-Base interactions energy: -146.393
where: short stacking energy: -132.697
Base-Backbone interact. energy: -1.368
local terms energy: -267.858864
where:
bonds (distance) C4'-P energy: -71.152
bonds (distance) P-C4' energy: -71.237
flat angles C4'-P-C4' energy: -72.201
flat angles P-C4'-P energy: -56.038
tors. eta vs tors. theta energy: 2.769
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 87
Temperature: 1.300000
Total energy: -397.070945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -397.070945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -397.070945 (E_RNA)
where:
Base-Base interactions energy: -140.434
where: short stacking energy: -121.135
Base-Backbone interact. energy: -1.448
local terms energy: -255.188698
where:
bonds (distance) C4'-P energy: -71.940
bonds (distance) P-C4' energy: -88.581
flat angles C4'-P-C4' energy: -67.506
flat angles P-C4'-P energy: -28.185
tors. eta vs tors. theta energy: 1.024
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: 10
=====================================
Write number: 87
Temperature: 1.350000
Total energy: -355.663270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.663270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.663270 (E_RNA)
where:
Base-Base interactions energy: -122.571
where: short stacking energy: -98.321
Base-Backbone interact. energy: -0.347
local terms energy: -232.744373
where:
bonds (distance) C4'-P energy: -72.815
bonds (distance) P-C4' energy: -81.755
flat angles C4'-P-C4' energy: -58.384
flat angles P-C4'-P energy: -25.075
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: 1, replica: 1
=====================================
Write number: 88
Temperature: 0.900000
Total energy: -1196.162705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1196.162705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1196.162705 (E_RNA)
where:
Base-Base interactions energy: -733.615
where: short stacking energy: -398.003
Base-Backbone interact. energy: -3.105
local terms energy: -459.442440
where:
bonds (distance) C4'-P energy: -88.707
bonds (distance) P-C4' energy: -95.607
flat angles C4'-P-C4' energy: -90.732
flat angles P-C4'-P energy: -65.602
tors. eta vs tors. theta energy: -118.795
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: 4
=====================================
Write number: 88
Temperature: 0.950000
Total energy: -968.132144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -968.132144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -968.132144 (E_RNA)
where:
Base-Base interactions energy: -544.728
where: short stacking energy: -314.959
Base-Backbone interact. energy: -1.426
local terms energy: -421.978541
where:
bonds (distance) C4'-P energy: -83.080
bonds (distance) P-C4' energy: -92.579
flat angles C4'-P-C4' energy: -100.548
flat angles P-C4'-P energy: -62.134
tors. eta vs tors. theta energy: -83.638
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 88
Temperature: 1.000000
Total energy: -989.257413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -989.257413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -989.257413 (E_RNA)
where:
Base-Base interactions energy: -556.563
where: short stacking energy: -346.548
Base-Backbone interact. energy: -0.933
local terms energy: -431.760548
where:
bonds (distance) C4'-P energy: -92.006
bonds (distance) P-C4' energy: -85.592
flat angles C4'-P-C4' energy: -99.055
flat angles P-C4'-P energy: -59.609
tors. eta vs tors. theta energy: -95.499
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 88
Temperature: 1.050000
Total energy: -758.108595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -758.108595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -758.108595 (E_RNA)
where:
Base-Base interactions energy: -395.160
where: short stacking energy: -254.513
Base-Backbone interact. energy: 0.436
local terms energy: -363.383894
where:
bonds (distance) C4'-P energy: -85.107
bonds (distance) P-C4' energy: -94.245
flat angles C4'-P-C4' energy: -77.017
flat angles P-C4'-P energy: -61.912
tors. eta vs tors. theta energy: -45.103
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 88
Temperature: 1.100000
Total energy: -656.677511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -656.677511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -656.677511 (E_RNA)
where:
Base-Base interactions energy: -309.075
where: short stacking energy: -216.739
Base-Backbone interact. energy: 1.252
local terms energy: -348.854763
where:
bonds (distance) C4'-P energy: -84.471
bonds (distance) P-C4' energy: -96.707
flat angles C4'-P-C4' energy: -81.665
flat angles P-C4'-P energy: -46.901
tors. eta vs tors. theta energy: -39.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 88
Temperature: 1.150000
Total energy: -631.790871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -631.790871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -631.790871 (E_RNA)
where:
Base-Base interactions energy: -303.831
where: short stacking energy: -204.931
Base-Backbone interact. energy: 1.884
local terms energy: -329.843689
where:
bonds (distance) C4'-P energy: -79.751
bonds (distance) P-C4' energy: -89.291
flat angles C4'-P-C4' energy: -81.017
flat angles P-C4'-P energy: -39.097
tors. eta vs tors. theta energy: -40.687
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 88
Temperature: 1.200000
Total energy: -474.551740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -474.551740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -474.551740 (E_RNA)
where:
Base-Base interactions energy: -177.603
where: short stacking energy: -132.075
Base-Backbone interact. energy: 0.930
local terms energy: -297.879095
where:
bonds (distance) C4'-P energy: -73.490
bonds (distance) P-C4' energy: -105.570
flat angles C4'-P-C4' energy: -80.786
flat angles P-C4'-P energy: -32.227
tors. eta vs tors. theta energy: -5.806
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 88
Temperature: 1.250000
Total energy: -442.880882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -442.880882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -442.880882 (E_RNA)
where:
Base-Base interactions energy: -165.291
where: short stacking energy: -147.708
Base-Backbone interact. energy: -0.737
local terms energy: -276.853244
where:
bonds (distance) C4'-P energy: -70.274
bonds (distance) P-C4' energy: -87.696
flat angles C4'-P-C4' energy: -61.651
flat angles P-C4'-P energy: -44.923
tors. eta vs tors. theta energy: -12.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 88
Temperature: 1.300000
Total energy: -416.107449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.107449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.107449 (E_RNA)
where:
Base-Base interactions energy: -146.862
where: short stacking energy: -111.300
Base-Backbone interact. energy: -0.595
local terms energy: -268.649912
where:
bonds (distance) C4'-P energy: -85.378
bonds (distance) P-C4' energy: -70.951
flat angles C4'-P-C4' energy: -56.505
flat angles P-C4'-P energy: -47.061
tors. eta vs tors. theta energy: -8.755
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: 10
=====================================
Write number: 88
Temperature: 1.350000
Total energy: -362.213592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.213592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.213592 (E_RNA)
where:
Base-Base interactions energy: -95.933
where: short stacking energy: -86.797
Base-Backbone interact. energy: 0.797
local terms energy: -267.077700
where:
bonds (distance) C4'-P energy: -84.677
bonds (distance) P-C4' energy: -93.146
flat angles C4'-P-C4' energy: -61.140
flat angles P-C4'-P energy: -41.500
tors. eta vs tors. theta energy: 13.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 89
Temperature: 0.900000
Total energy: -1188.433522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1188.433522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1188.433522 (E_RNA)
where:
Base-Base interactions energy: -717.775
where: short stacking energy: -395.435
Base-Backbone interact. energy: -3.287
local terms energy: -467.370830
where:
bonds (distance) C4'-P energy: -84.174
bonds (distance) P-C4' energy: -103.766
flat angles C4'-P-C4' energy: -102.060
flat angles P-C4'-P energy: -70.196
tors. eta vs tors. theta energy: -107.175
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: 4
=====================================
Write number: 89
Temperature: 0.950000
Total energy: -1004.545830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1004.545830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1004.545830 (E_RNA)
where:
Base-Base interactions energy: -567.715
where: short stacking energy: -337.439
Base-Backbone interact. energy: -1.595
local terms energy: -435.235969
where:
bonds (distance) C4'-P energy: -88.748
bonds (distance) P-C4' energy: -91.661
flat angles C4'-P-C4' energy: -90.823
flat angles P-C4'-P energy: -68.575
tors. eta vs tors. theta energy: -95.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 89
Temperature: 1.000000
Total energy: -994.002819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -994.002819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -994.002819 (E_RNA)
where:
Base-Base interactions energy: -567.401
where: short stacking energy: -326.843
Base-Backbone interact. energy: 0.355
local terms energy: -426.957224
where:
bonds (distance) C4'-P energy: -84.221
bonds (distance) P-C4' energy: -98.791
flat angles C4'-P-C4' energy: -87.474
flat angles P-C4'-P energy: -67.484
tors. eta vs tors. theta energy: -88.988
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 89
Temperature: 1.050000
Total energy: -730.258360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -730.258360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -730.258360 (E_RNA)
where:
Base-Base interactions energy: -386.765
where: short stacking energy: -254.468
Base-Backbone interact. energy: -1.672
local terms energy: -341.821259
where:
bonds (distance) C4'-P energy: -84.121
bonds (distance) P-C4' energy: -81.809
flat angles C4'-P-C4' energy: -77.931
flat angles P-C4'-P energy: -48.029
tors. eta vs tors. theta energy: -49.931
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 89
Temperature: 1.100000
Total energy: -691.143389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -691.143389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -691.143389 (E_RNA)
where:
Base-Base interactions energy: -338.316
where: short stacking energy: -216.999
Base-Backbone interact. energy: -1.024
local terms energy: -351.803865
where:
bonds (distance) C4'-P energy: -88.053
bonds (distance) P-C4' energy: -96.506
flat angles C4'-P-C4' energy: -92.144
flat angles P-C4'-P energy: -35.953
tors. eta vs tors. theta energy: -39.148
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: 89
Temperature: 1.150000
Total energy: -612.108381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -612.108381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -612.108381 (E_RNA)
where:
Base-Base interactions energy: -302.885
where: short stacking energy: -190.346
Base-Backbone interact. energy: -0.238
local terms energy: -308.985592
where:
bonds (distance) C4'-P energy: -69.154
bonds (distance) P-C4' energy: -91.090
flat angles C4'-P-C4' energy: -71.887
flat angles P-C4'-P energy: -42.871
tors. eta vs tors. theta energy: -33.985
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 89
Temperature: 1.200000
Total energy: -452.853708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -452.853708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -452.853708 (E_RNA)
where:
Base-Base interactions energy: -159.157
where: short stacking energy: -132.623
Base-Backbone interact. energy: 2.991
local terms energy: -296.687463
where:
bonds (distance) C4'-P energy: -76.792
bonds (distance) P-C4' energy: -89.156
flat angles C4'-P-C4' energy: -81.907
flat angles P-C4'-P energy: -58.623
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: 8, replica: 3
=====================================
Write number: 89
Temperature: 1.250000
Total energy: -427.739019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -427.739019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -427.739019 (E_RNA)
where:
Base-Base interactions energy: -144.963
where: short stacking energy: -116.020
Base-Backbone interact. energy: -1.989
local terms energy: -280.786921
where:
bonds (distance) C4'-P energy: -80.550
bonds (distance) P-C4' energy: -83.236
flat angles C4'-P-C4' energy: -72.493
flat angles P-C4'-P energy: -42.662
tors. eta vs tors. theta energy: -1.847
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: 89
Temperature: 1.300000
Total energy: -381.260664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -381.260664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -381.260664 (E_RNA)
where:
Base-Base interactions energy: -115.674
where: short stacking energy: -96.888
Base-Backbone interact. energy: 3.544
local terms energy: -269.130632
where:
bonds (distance) C4'-P energy: -73.638
bonds (distance) P-C4' energy: -94.850
flat angles C4'-P-C4' energy: -79.697
flat angles P-C4'-P energy: -30.322
tors. eta vs tors. theta energy: 9.376
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 89
Temperature: 1.350000
Total energy: -377.262723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -377.262723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -377.262723 (E_RNA)
where:
Base-Base interactions energy: -121.937
where: short stacking energy: -106.514
Base-Backbone interact. energy: 4.024
local terms energy: -259.349515
where:
bonds (distance) C4'-P energy: -69.959
bonds (distance) P-C4' energy: -84.181
flat angles C4'-P-C4' energy: -68.383
flat angles P-C4'-P energy: -56.162
tors. eta vs tors. theta energy: 19.335
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: 1
=====================================
Write number: 90
Temperature: 0.900000
Total energy: -1229.478200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1229.478200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1229.478200 (E_RNA)
where:
Base-Base interactions energy: -758.943
where: short stacking energy: -427.284
Base-Backbone interact. energy: -3.772
local terms energy: -466.763315
where:
bonds (distance) C4'-P energy: -93.875
bonds (distance) P-C4' energy: -84.640
flat angles C4'-P-C4' energy: -101.365
flat angles P-C4'-P energy: -69.547
tors. eta vs tors. theta energy: -117.337
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: 90
Temperature: 0.950000
Total energy: -1005.669772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1005.669772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1005.669772 (E_RNA)
where:
Base-Base interactions energy: -572.368
where: short stacking energy: -353.328
Base-Backbone interact. energy: -1.655
local terms energy: -431.646823
where:
bonds (distance) C4'-P energy: -89.326
bonds (distance) P-C4' energy: -79.360
flat angles C4'-P-C4' energy: -102.762
flat angles P-C4'-P energy: -67.537
tors. eta vs tors. theta energy: -92.662
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 90
Temperature: 1.000000
Total energy: -1041.844306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1041.844306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1041.844306 (E_RNA)
where:
Base-Base interactions energy: -577.145
where: short stacking energy: -347.373
Base-Backbone interact. energy: -0.883
local terms energy: -463.816398
where:
bonds (distance) C4'-P energy: -91.127
bonds (distance) P-C4' energy: -97.831
flat angles C4'-P-C4' energy: -105.063
flat angles P-C4'-P energy: -68.520
tors. eta vs tors. theta energy: -101.276
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: 6
=====================================
Write number: 90
Temperature: 1.050000
Total energy: -743.520512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -743.520512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -743.520512 (E_RNA)
where:
Base-Base interactions energy: -374.127
where: short stacking energy: -216.249
Base-Backbone interact. energy: -2.875
local terms energy: -366.518866
where:
bonds (distance) C4'-P energy: -79.940
bonds (distance) P-C4' energy: -89.610
flat angles C4'-P-C4' energy: -78.716
flat angles P-C4'-P energy: -62.551
tors. eta vs tors. theta energy: -55.702
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 90
Temperature: 1.100000
Total energy: -677.492192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -677.492192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -677.492192 (E_RNA)
where:
Base-Base interactions energy: -314.693
where: short stacking energy: -211.977
Base-Backbone interact. energy: -0.307
local terms energy: -362.492134
where:
bonds (distance) C4'-P energy: -80.543
bonds (distance) P-C4' energy: -85.685
flat angles C4'-P-C4' energy: -85.647
flat angles P-C4'-P energy: -67.712
tors. eta vs tors. theta energy: -42.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 90
Temperature: 1.150000
Total energy: -609.020861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -609.020861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -609.020861 (E_RNA)
where:
Base-Base interactions energy: -280.001
where: short stacking energy: -195.882
Base-Backbone interact. energy: -1.261
local terms energy: -327.759007
where:
bonds (distance) C4'-P energy: -74.450
bonds (distance) P-C4' energy: -101.059
flat angles C4'-P-C4' energy: -73.927
flat angles P-C4'-P energy: -46.502
tors. eta vs tors. theta energy: -31.822
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: 3
=====================================
Write number: 90
Temperature: 1.200000
Total energy: -451.881692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -451.881692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -451.881692 (E_RNA)
where:
Base-Base interactions energy: -155.615
where: short stacking energy: -133.999
Base-Backbone interact. energy: -0.190
local terms energy: -296.076195
where:
bonds (distance) C4'-P energy: -75.311
bonds (distance) P-C4' energy: -80.051
flat angles C4'-P-C4' energy: -78.204
flat angles P-C4'-P energy: -64.431
tors. eta vs tors. theta energy: 1.921
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 90
Temperature: 1.250000
Total energy: -416.410516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.410516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.410516 (E_RNA)
where:
Base-Base interactions energy: -165.081
where: short stacking energy: -131.784
Base-Backbone interact. energy: 8.445
local terms energy: -259.774488
where:
bonds (distance) C4'-P energy: -80.624
bonds (distance) P-C4' energy: -72.217
flat angles C4'-P-C4' energy: -67.785
flat angles P-C4'-P energy: -41.393
tors. eta vs tors. theta energy: 2.244
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 90
Temperature: 1.300000
Total energy: -390.265800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -390.265800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -390.265800 (E_RNA)
where:
Base-Base interactions energy: -123.999
where: short stacking energy: -111.121
Base-Backbone interact. energy: 3.568
local terms energy: -269.834535
where:
bonds (distance) C4'-P energy: -75.034
bonds (distance) P-C4' energy: -78.754
flat angles C4'-P-C4' energy: -78.288
flat angles P-C4'-P energy: -36.110
tors. eta vs tors. theta energy: -1.648
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 90
Temperature: 1.350000
Total energy: -354.522826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.522826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.522826 (E_RNA)
where:
Base-Base interactions energy: -104.301
where: short stacking energy: -102.169
Base-Backbone interact. energy: 0.283
local terms energy: -250.504279
where:
bonds (distance) C4'-P energy: -65.135
bonds (distance) P-C4' energy: -94.675
flat angles C4'-P-C4' energy: -64.800
flat angles P-C4'-P energy: -41.933
tors. eta vs tors. theta energy: 16.038
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: 1
=====================================
Write number: 91
Temperature: 0.900000
Total energy: -1182.341608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1182.341608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1182.341608 (E_RNA)
where:
Base-Base interactions energy: -725.094
where: short stacking energy: -402.563
Base-Backbone interact. energy: -0.741
local terms energy: -456.506341
where:
bonds (distance) C4'-P energy: -86.758
bonds (distance) P-C4' energy: -88.830
flat angles C4'-P-C4' energy: -98.687
flat angles P-C4'-P energy: -72.117
tors. eta vs tors. theta energy: -110.114
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: 2, replica: 4
=====================================
Write number: 91
Temperature: 0.950000
Total energy: -1018.522288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1018.522288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1018.522288 (E_RNA)
where:
Base-Base interactions energy: -579.628
where: short stacking energy: -337.408
Base-Backbone interact. energy: -1.086
local terms energy: -437.808875
where:
bonds (distance) C4'-P energy: -88.323
bonds (distance) P-C4' energy: -97.084
flat angles C4'-P-C4' energy: -99.919
flat angles P-C4'-P energy: -64.171
tors. eta vs tors. theta energy: -88.312
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: 3, replica: 2
=====================================
Write number: 91
Temperature: 1.000000
Total energy: -996.737055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -996.737055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -996.737055 (E_RNA)
where:
Base-Base interactions energy: -563.379
where: short stacking energy: -329.713
Base-Backbone interact. energy: -1.886
local terms energy: -431.472014
where:
bonds (distance) C4'-P energy: -80.927
bonds (distance) P-C4' energy: -91.162
flat angles C4'-P-C4' energy: -86.336
flat angles P-C4'-P energy: -74.432
tors. eta vs tors. theta energy: -98.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 91
Temperature: 1.050000
Total energy: -738.426455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -738.426455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -738.426455 (E_RNA)
where:
Base-Base interactions energy: -363.561
where: short stacking energy: -247.219
Base-Backbone interact. energy: -1.036
local terms energy: -373.829002
where:
bonds (distance) C4'-P energy: -84.099
bonds (distance) P-C4' energy: -91.347
flat angles C4'-P-C4' energy: -82.443
flat angles P-C4'-P energy: -62.060
tors. eta vs tors. theta energy: -53.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 91
Temperature: 1.100000
Total energy: -686.562862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -686.562862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -686.562862 (E_RNA)
where:
Base-Base interactions energy: -331.192
where: short stacking energy: -244.435
Base-Backbone interact. energy: 2.559
local terms energy: -357.930053
where:
bonds (distance) C4'-P energy: -79.736
bonds (distance) P-C4' energy: -89.392
flat angles C4'-P-C4' energy: -83.715
flat angles P-C4'-P energy: -49.703
tors. eta vs tors. theta energy: -55.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 91
Temperature: 1.150000
Total energy: -618.057146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -618.057146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -618.057146 (E_RNA)
where:
Base-Base interactions energy: -272.826
where: short stacking energy: -178.035
Base-Backbone interact. energy: -0.849
local terms energy: -344.382120
where:
bonds (distance) C4'-P energy: -85.226
bonds (distance) P-C4' energy: -93.673
flat angles C4'-P-C4' energy: -76.954
flat angles P-C4'-P energy: -54.926
tors. eta vs tors. theta energy: -33.603
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 91
Temperature: 1.200000
Total energy: -449.310545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -449.310545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -449.310545 (E_RNA)
where:
Base-Base interactions energy: -145.346
where: short stacking energy: -138.010
Base-Backbone interact. energy: 0.833
local terms energy: -304.798352
where:
bonds (distance) C4'-P energy: -81.771
bonds (distance) P-C4' energy: -89.438
flat angles C4'-P-C4' energy: -74.040
flat angles P-C4'-P energy: -49.647
tors. eta vs tors. theta energy: -9.901
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: 9
=====================================
Write number: 91
Temperature: 1.250000
Total energy: -398.645450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -398.645450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -398.645450 (E_RNA)
where:
Base-Base interactions energy: -131.702
where: short stacking energy: -104.414
Base-Backbone interact. energy: 2.367
local terms energy: -269.311149
where:
bonds (distance) C4'-P energy: -74.955
bonds (distance) P-C4' energy: -73.945
flat angles C4'-P-C4' energy: -81.743
flat angles P-C4'-P energy: -47.126
tors. eta vs tors. theta energy: 8.458
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: 10
=====================================
Write number: 91
Temperature: 1.300000
Total energy: -414.305604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.305604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.305604 (E_RNA)
where:
Base-Base interactions energy: -164.410
where: short stacking energy: -127.817
Base-Backbone interact. energy: 2.935
local terms energy: -252.831448
where:
bonds (distance) C4'-P energy: -69.109
bonds (distance) P-C4' energy: -65.860
flat angles C4'-P-C4' energy: -73.816
flat angles P-C4'-P energy: -45.587
tors. eta vs tors. theta energy: 1.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 91
Temperature: 1.350000
Total energy: -357.099856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.099856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.099856 (E_RNA)
where:
Base-Base interactions energy: -115.699
where: short stacking energy: -105.701
Base-Backbone interact. energy: 0.058
local terms energy: -241.458871
where:
bonds (distance) C4'-P energy: -76.873
bonds (distance) P-C4' energy: -80.385
flat angles C4'-P-C4' energy: -65.384
flat angles P-C4'-P energy: -36.759
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: 1, replica: 1
=====================================
Write number: 92
Temperature: 0.900000
Total energy: -1189.488669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1189.488669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1189.488669 (E_RNA)
where:
Base-Base interactions energy: -724.693
where: short stacking energy: -393.480
Base-Backbone interact. energy: -0.358
local terms energy: -464.437346
where:
bonds (distance) C4'-P energy: -88.115
bonds (distance) P-C4' energy: -95.311
flat angles C4'-P-C4' energy: -101.472
flat angles P-C4'-P energy: -71.446
tors. eta vs tors. theta energy: -108.093
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 92
Temperature: 0.950000
Total energy: -1037.760855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1037.760855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1037.760855 (E_RNA)
where:
Base-Base interactions energy: -574.662
where: short stacking energy: -362.212
Base-Backbone interact. energy: 0.922
local terms energy: -464.020771
where:
bonds (distance) C4'-P energy: -93.414
bonds (distance) P-C4' energy: -90.031
flat angles C4'-P-C4' energy: -106.803
flat angles P-C4'-P energy: -71.236
tors. eta vs tors. theta energy: -102.537
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 92
Temperature: 1.000000
Total energy: -965.127018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -965.127018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -965.127018 (E_RNA)
where:
Base-Base interactions energy: -544.116
where: short stacking energy: -340.140
Base-Backbone interact. energy: -0.479
local terms energy: -420.532417
where:
bonds (distance) C4'-P energy: -83.709
bonds (distance) P-C4' energy: -82.355
flat angles C4'-P-C4' energy: -106.200
flat angles P-C4'-P energy: -49.911
tors. eta vs tors. theta energy: -98.357
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: 4, replica: 6
=====================================
Write number: 92
Temperature: 1.050000
Total energy: -723.460212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -723.460212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -723.460212 (E_RNA)
where:
Base-Base interactions energy: -337.070
where: short stacking energy: -235.999
Base-Backbone interact. energy: -1.748
local terms energy: -384.642268
where:
bonds (distance) C4'-P energy: -91.282
bonds (distance) P-C4' energy: -83.347
flat angles C4'-P-C4' energy: -95.106
flat angles P-C4'-P energy: -65.330
tors. eta vs tors. theta energy: -49.578
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 92
Temperature: 1.100000
Total energy: -701.317370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -701.317370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -701.317370 (E_RNA)
where:
Base-Base interactions energy: -332.734
where: short stacking energy: -231.320
Base-Backbone interact. energy: -1.080
local terms energy: -367.503205
where:
bonds (distance) C4'-P energy: -81.595
bonds (distance) P-C4' energy: -84.899
flat angles C4'-P-C4' energy: -88.580
flat angles P-C4'-P energy: -48.796
tors. eta vs tors. theta energy: -63.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 92
Temperature: 1.150000
Total energy: -598.040018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -598.040018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -598.040018 (E_RNA)
where:
Base-Base interactions energy: -266.859
where: short stacking energy: -158.364
Base-Backbone interact. energy: -0.542
local terms energy: -330.638672
where:
bonds (distance) C4'-P energy: -75.557
bonds (distance) P-C4' energy: -94.016
flat angles C4'-P-C4' energy: -87.761
flat angles P-C4'-P energy: -57.649
tors. eta vs tors. theta energy: -15.655
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 92
Temperature: 1.200000
Total energy: -430.358258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -430.358258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -430.358258 (E_RNA)
where:
Base-Base interactions energy: -149.578
where: short stacking energy: -127.464
Base-Backbone interact. energy: -0.420
local terms energy: -280.360181
where:
bonds (distance) C4'-P energy: -83.988
bonds (distance) P-C4' energy: -87.304
flat angles C4'-P-C4' energy: -72.680
flat angles P-C4'-P energy: -47.202
tors. eta vs tors. theta energy: 10.814
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: 8, replica: 9
=====================================
Write number: 92
Temperature: 1.250000
Total energy: -451.584065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -451.584065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -451.584065 (E_RNA)
where:
Base-Base interactions energy: -156.357
where: short stacking energy: -134.847
Base-Backbone interact. energy: 1.063
local terms energy: -296.290142
where:
bonds (distance) C4'-P energy: -74.238
bonds (distance) P-C4' energy: -83.769
flat angles C4'-P-C4' energy: -65.328
flat angles P-C4'-P energy: -60.340
tors. eta vs tors. theta energy: -12.615
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: 9, replica: 10
=====================================
Write number: 92
Temperature: 1.300000
Total energy: -397.359915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -397.359915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -397.359915 (E_RNA)
where:
Base-Base interactions energy: -126.327
where: short stacking energy: -103.112
Base-Backbone interact. energy: -0.114
local terms energy: -270.919290
where:
bonds (distance) C4'-P energy: -80.381
bonds (distance) P-C4' energy: -78.538
flat angles C4'-P-C4' energy: -71.140
flat angles P-C4'-P energy: -45.864
tors. eta vs tors. theta energy: 5.004
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 92
Temperature: 1.350000
Total energy: -344.784711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.784711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.784711 (E_RNA)
where:
Base-Base interactions energy: -89.617
where: short stacking energy: -73.589
Base-Backbone interact. energy: -0.799
local terms energy: -254.368550
where:
bonds (distance) C4'-P energy: -73.788
bonds (distance) P-C4' energy: -80.587
flat angles C4'-P-C4' energy: -82.253
flat angles P-C4'-P energy: -42.006
tors. eta vs tors. theta energy: 24.266
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 93
Temperature: 0.900000
Total energy: -1185.588386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1185.588386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1185.588386 (E_RNA)
where:
Base-Base interactions energy: -721.834
where: short stacking energy: -382.353
Base-Backbone interact. energy: -2.755
local terms energy: -460.999350
where:
bonds (distance) C4'-P energy: -97.840
bonds (distance) P-C4' energy: -90.126
flat angles C4'-P-C4' energy: -105.939
flat angles P-C4'-P energy: -59.912
tors. eta vs tors. theta energy: -107.182
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: 4
=====================================
Write number: 93
Temperature: 0.950000
Total energy: -1041.365495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1041.365495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1041.365495 (E_RNA)
where:
Base-Base interactions energy: -601.978
where: short stacking energy: -353.175
Base-Backbone interact. energy: -0.198
local terms energy: -439.189183
where:
bonds (distance) C4'-P energy: -93.219
bonds (distance) P-C4' energy: -87.102
flat angles C4'-P-C4' energy: -100.967
flat angles P-C4'-P energy: -61.811
tors. eta vs tors. theta energy: -96.090
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: 2
=====================================
Write number: 93
Temperature: 1.000000
Total energy: -1027.401061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1027.401061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1027.401061 (E_RNA)
where:
Base-Base interactions energy: -581.255
where: short stacking energy: -355.876
Base-Backbone interact. energy: -2.228
local terms energy: -443.918213
where:
bonds (distance) C4'-P energy: -97.616
bonds (distance) P-C4' energy: -86.768
flat angles C4'-P-C4' energy: -100.007
flat angles P-C4'-P energy: -70.142
tors. eta vs tors. theta energy: -89.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 93
Temperature: 1.050000
Total energy: -714.415175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -714.415175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -714.415175 (E_RNA)
where:
Base-Base interactions energy: -366.192
where: short stacking energy: -242.544
Base-Backbone interact. energy: 1.618
local terms energy: -349.840586
where:
bonds (distance) C4'-P energy: -91.108
bonds (distance) P-C4' energy: -75.865
flat angles C4'-P-C4' energy: -90.159
flat angles P-C4'-P energy: -46.587
tors. eta vs tors. theta energy: -46.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 93
Temperature: 1.100000
Total energy: -699.372839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -699.372839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -699.372839 (E_RNA)
where:
Base-Base interactions energy: -337.103
where: short stacking energy: -228.398
Base-Backbone interact. energy: 2.015
local terms energy: -364.284405
where:
bonds (distance) C4'-P energy: -91.682
bonds (distance) P-C4' energy: -84.270
flat angles C4'-P-C4' energy: -83.874
flat angles P-C4'-P energy: -48.147
tors. eta vs tors. theta energy: -56.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 93
Temperature: 1.150000
Total energy: -664.549332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -664.549332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -664.549332 (E_RNA)
where:
Base-Base interactions energy: -334.084
where: short stacking energy: -220.174
Base-Backbone interact. energy: -1.597
local terms energy: -328.867765
where:
bonds (distance) C4'-P energy: -57.714
bonds (distance) P-C4' energy: -94.309
flat angles C4'-P-C4' energy: -86.237
flat angles P-C4'-P energy: -57.372
tors. eta vs tors. theta energy: -33.236
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 93
Temperature: 1.200000
Total energy: -459.546492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -459.546492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -459.546492 (E_RNA)
where:
Base-Base interactions energy: -173.502
where: short stacking energy: -126.890
Base-Backbone interact. energy: -0.948
local terms energy: -285.096518
where:
bonds (distance) C4'-P energy: -66.440
bonds (distance) P-C4' energy: -86.889
flat angles C4'-P-C4' energy: -67.779
flat angles P-C4'-P energy: -50.048
tors. eta vs tors. theta energy: -13.940
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 93
Temperature: 1.250000
Total energy: -410.818155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.818155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -410.818155 (E_RNA)
where:
Base-Base interactions energy: -145.393
where: short stacking energy: -126.264
Base-Backbone interact. energy: 0.761
local terms energy: -266.186270
where:
bonds (distance) C4'-P energy: -74.063
bonds (distance) P-C4' energy: -78.855
flat angles C4'-P-C4' energy: -74.244
flat angles P-C4'-P energy: -36.846
tors. eta vs tors. theta energy: -2.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 93
Temperature: 1.300000
Total energy: -380.402174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -380.402174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -380.402174 (E_RNA)
where:
Base-Base interactions energy: -128.437
where: short stacking energy: -111.373
Base-Backbone interact. energy: 4.438
local terms energy: -256.402342
where:
bonds (distance) C4'-P energy: -73.557
bonds (distance) P-C4' energy: -74.499
flat angles C4'-P-C4' energy: -67.574
flat angles P-C4'-P energy: -44.195
tors. eta vs tors. theta energy: 3.424
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: 8
=====================================
Write number: 93
Temperature: 1.350000
Total energy: -367.382934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.382934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.382934 (E_RNA)
where:
Base-Base interactions energy: -150.672
where: short stacking energy: -136.116
Base-Backbone interact. energy: 1.152
local terms energy: -217.863165
where:
bonds (distance) C4'-P energy: -65.814
bonds (distance) P-C4' energy: -75.633
flat angles C4'-P-C4' energy: -53.727
flat angles P-C4'-P energy: -32.643
tors. eta vs tors. theta energy: 9.955
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 94
Temperature: 0.900000
Total energy: -1185.325990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1185.325990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1185.325990 (E_RNA)
where:
Base-Base interactions energy: -709.405
where: short stacking energy: -369.126
Base-Backbone interact. energy: -2.675
local terms energy: -473.246141
where:
bonds (distance) C4'-P energy: -93.778
bonds (distance) P-C4' energy: -100.403
flat angles C4'-P-C4' energy: -103.335
flat angles P-C4'-P energy: -71.972
tors. eta vs tors. theta energy: -103.759
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: 4
=====================================
Write number: 94
Temperature: 0.950000
Total energy: -987.323438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -987.323438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -987.323438 (E_RNA)
where:
Base-Base interactions energy: -575.142
where: short stacking energy: -334.887
Base-Backbone interact. energy: -1.229
local terms energy: -410.952775
where:
bonds (distance) C4'-P energy: -88.735
bonds (distance) P-C4' energy: -79.538
flat angles C4'-P-C4' energy: -85.227
flat angles P-C4'-P energy: -72.747
tors. eta vs tors. theta energy: -84.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 94
Temperature: 1.000000
Total energy: -975.297660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -975.297660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -975.297660 (E_RNA)
where:
Base-Base interactions energy: -544.888
where: short stacking energy: -337.938
Base-Backbone interact. energy: -4.202
local terms energy: -426.207236
where:
bonds (distance) C4'-P energy: -70.536
bonds (distance) P-C4' energy: -96.796
flat angles C4'-P-C4' energy: -89.732
flat angles P-C4'-P energy: -68.346
tors. eta vs tors. theta energy: -100.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 94
Temperature: 1.050000
Total energy: -755.844995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -755.844995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -755.844995 (E_RNA)
where:
Base-Base interactions energy: -405.811
where: short stacking energy: -264.987
Base-Backbone interact. energy: 0.325
local terms energy: -350.358720
where:
bonds (distance) C4'-P energy: -77.903
bonds (distance) P-C4' energy: -85.935
flat angles C4'-P-C4' energy: -93.896
flat angles P-C4'-P energy: -36.729
tors. eta vs tors. theta energy: -55.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 94
Temperature: 1.100000
Total energy: -662.835692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -662.835692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -662.835692 (E_RNA)
where:
Base-Base interactions energy: -321.420
where: short stacking energy: -197.113
Base-Backbone interact. energy: -0.175
local terms energy: -341.240363
where:
bonds (distance) C4'-P energy: -87.119
bonds (distance) P-C4' energy: -83.788
flat angles C4'-P-C4' energy: -75.286
flat angles P-C4'-P energy: -59.496
tors. eta vs tors. theta energy: -35.552
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 94
Temperature: 1.150000
Total energy: -619.712118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -619.712118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -619.712118 (E_RNA)
where:
Base-Base interactions energy: -276.716
where: short stacking energy: -169.623
Base-Backbone interact. energy: -1.053
local terms energy: -341.942213
where:
bonds (distance) C4'-P energy: -80.634
bonds (distance) P-C4' energy: -108.398
flat angles C4'-P-C4' energy: -89.281
flat angles P-C4'-P energy: -43.090
tors. eta vs tors. theta energy: -20.539
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 94
Temperature: 1.200000
Total energy: -449.938166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -449.938166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -449.938166 (E_RNA)
where:
Base-Base interactions energy: -163.210
where: short stacking energy: -142.704
Base-Backbone interact. energy: -1.596
local terms energy: -285.132191
where:
bonds (distance) C4'-P energy: -66.979
bonds (distance) P-C4' energy: -85.599
flat angles C4'-P-C4' energy: -72.774
flat angles P-C4'-P energy: -47.743
tors. eta vs tors. theta energy: -12.038
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: 3
=====================================
Write number: 94
Temperature: 1.250000
Total energy: -418.905618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.905618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.905618 (E_RNA)
where:
Base-Base interactions energy: -126.546
where: short stacking energy: -121.738
Base-Backbone interact. energy: -2.563
local terms energy: -289.796048
where:
bonds (distance) C4'-P energy: -83.155
bonds (distance) P-C4' energy: -79.473
flat angles C4'-P-C4' energy: -75.772
flat angles P-C4'-P energy: -43.850
tors. eta vs tors. theta energy: -7.546
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 94
Temperature: 1.300000
Total energy: -394.797859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -394.797859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -394.797859 (E_RNA)
where:
Base-Base interactions energy: -152.549
where: short stacking energy: -129.895
Base-Backbone interact. energy: 2.735
local terms energy: -244.983759
where:
bonds (distance) C4'-P energy: -65.773
bonds (distance) P-C4' energy: -67.537
flat angles C4'-P-C4' energy: -69.332
flat angles P-C4'-P energy: -52.412
tors. eta vs tors. theta energy: 10.070
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: 94
Temperature: 1.350000
Total energy: -390.981002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -390.981002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -390.981002 (E_RNA)
where:
Base-Base interactions energy: -134.911
where: short stacking energy: -127.877
Base-Backbone interact. energy: 1.582
local terms energy: -257.652126
where:
bonds (distance) C4'-P energy: -73.252
bonds (distance) P-C4' energy: -65.284
flat angles C4'-P-C4' energy: -67.267
flat angles P-C4'-P energy: -42.934
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: 1, replica: 1
=====================================
Write number: 95
Temperature: 0.900000
Total energy: -1190.458219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1190.458219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1190.458219 (E_RNA)
where:
Base-Base interactions energy: -724.679
where: short stacking energy: -383.549
Base-Backbone interact. energy: -3.206
local terms energy: -462.573228
where:
bonds (distance) C4'-P energy: -94.864
bonds (distance) P-C4' energy: -89.574
flat angles C4'-P-C4' energy: -107.910
flat angles P-C4'-P energy: -57.564
tors. eta vs tors. theta energy: -112.662
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: 4
=====================================
Write number: 95
Temperature: 0.950000
Total energy: -1002.496930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1002.496930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1002.496930 (E_RNA)
where:
Base-Base interactions energy: -565.563
where: short stacking energy: -340.617
Base-Backbone interact. energy: -0.887
local terms energy: -436.046760
where:
bonds (distance) C4'-P energy: -86.447
bonds (distance) P-C4' energy: -97.820
flat angles C4'-P-C4' energy: -114.761
flat angles P-C4'-P energy: -56.078
tors. eta vs tors. theta energy: -80.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 95
Temperature: 1.000000
Total energy: -922.051634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -922.051634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -922.051634 (E_RNA)
where:
Base-Base interactions energy: -530.229
where: short stacking energy: -324.186
Base-Backbone interact. energy: 2.643
local terms energy: -394.465609
where:
bonds (distance) C4'-P energy: -86.221
bonds (distance) P-C4' energy: -73.046
flat angles C4'-P-C4' energy: -98.715
flat angles P-C4'-P energy: -55.375
tors. eta vs tors. theta energy: -81.108
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 95
Temperature: 1.050000
Total energy: -719.979229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -719.979229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -719.979229 (E_RNA)
where:
Base-Base interactions energy: -366.897
where: short stacking energy: -231.013
Base-Backbone interact. energy: -3.111
local terms energy: -349.971485
where:
bonds (distance) C4'-P energy: -88.502
bonds (distance) P-C4' energy: -78.871
flat angles C4'-P-C4' energy: -87.473
flat angles P-C4'-P energy: -50.986
tors. eta vs tors. theta energy: -44.141
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 95
Temperature: 1.100000
Total energy: -741.037547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -741.037547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -741.037547 (E_RNA)
where:
Base-Base interactions energy: -369.627
where: short stacking energy: -249.503
Base-Backbone interact. energy: -0.725
local terms energy: -370.685961
where:
bonds (distance) C4'-P energy: -88.983
bonds (distance) P-C4' energy: -91.104
flat angles C4'-P-C4' energy: -85.779
flat angles P-C4'-P energy: -58.221
tors. eta vs tors. theta energy: -46.598
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: 7
=====================================
Write number: 95
Temperature: 1.150000
Total energy: -633.699429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -633.699429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -633.699429 (E_RNA)
where:
Base-Base interactions energy: -299.415
where: short stacking energy: -199.286
Base-Backbone interact. energy: 2.672
local terms energy: -336.956572
where:
bonds (distance) C4'-P energy: -78.513
bonds (distance) P-C4' energy: -76.414
flat angles C4'-P-C4' energy: -89.776
flat angles P-C4'-P energy: -53.218
tors. eta vs tors. theta energy: -39.036
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 95
Temperature: 1.200000
Total energy: -492.854218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.854218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.854218 (E_RNA)
where:
Base-Base interactions energy: -182.237
where: short stacking energy: -170.646
Base-Backbone interact. energy: -0.171
local terms energy: -310.446048
where:
bonds (distance) C4'-P energy: -67.816
bonds (distance) P-C4' energy: -74.253
flat angles C4'-P-C4' energy: -98.294
flat angles P-C4'-P energy: -44.039
tors. eta vs tors. theta energy: -26.045
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: 10
=====================================
Write number: 95
Temperature: 1.250000
Total energy: -398.200481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -398.200481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -398.200481 (E_RNA)
where:
Base-Base interactions energy: -137.410
where: short stacking energy: -116.831
Base-Backbone interact. energy: 1.590
local terms energy: -262.379826
where:
bonds (distance) C4'-P energy: -85.053
bonds (distance) P-C4' energy: -68.407
flat angles C4'-P-C4' energy: -80.846
flat angles P-C4'-P energy: -32.168
tors. eta vs tors. theta energy: 4.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 95
Temperature: 1.300000
Total energy: -394.032352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -394.032352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -394.032352 (E_RNA)
where:
Base-Base interactions energy: -137.120
where: short stacking energy: -119.982
Base-Backbone interact. energy: 0.979
local terms energy: -257.891508
where:
bonds (distance) C4'-P energy: -76.840
bonds (distance) P-C4' energy: -80.856
flat angles C4'-P-C4' energy: -63.558
flat angles P-C4'-P energy: -44.530
tors. eta vs tors. theta energy: 7.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 95
Temperature: 1.350000
Total energy: -373.091304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.091304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.091304 (E_RNA)
where:
Base-Base interactions energy: -110.334
where: short stacking energy: -104.456
Base-Backbone interact. energy: -1.557
local terms energy: -261.200187
where:
bonds (distance) C4'-P energy: -81.452
bonds (distance) P-C4' energy: -75.126
flat angles C4'-P-C4' energy: -81.776
flat angles P-C4'-P energy: -30.147
tors. eta vs tors. theta energy: 7.302
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: 1
=====================================
Write number: 96
Temperature: 0.900000
Total energy: -1183.827057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1183.827057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1183.827057 (E_RNA)
where:
Base-Base interactions energy: -731.839
where: short stacking energy: -394.292
Base-Backbone interact. energy: -2.282
local terms energy: -449.706065
where:
bonds (distance) C4'-P energy: -89.537
bonds (distance) P-C4' energy: -90.854
flat angles C4'-P-C4' energy: -92.765
flat angles P-C4'-P energy: -78.769
tors. eta vs tors. theta energy: -97.782
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: 4
=====================================
Write number: 96
Temperature: 0.950000
Total energy: -985.287856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -985.287856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -985.287856 (E_RNA)
where:
Base-Base interactions energy: -543.399
where: short stacking energy: -332.907
Base-Backbone interact. energy: 0.044
local terms energy: -441.933468
where:
bonds (distance) C4'-P energy: -88.135
bonds (distance) P-C4' energy: -100.067
flat angles C4'-P-C4' energy: -105.326
flat angles P-C4'-P energy: -73.563
tors. eta vs tors. theta energy: -74.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 96
Temperature: 1.000000
Total energy: -994.236130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -994.236130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -994.236130 (E_RNA)
where:
Base-Base interactions energy: -562.890
where: short stacking energy: -344.027
Base-Backbone interact. energy: -3.635
local terms energy: -427.711782
where:
bonds (distance) C4'-P energy: -84.296
bonds (distance) P-C4' energy: -98.746
flat angles C4'-P-C4' energy: -88.943
flat angles P-C4'-P energy: -64.604
tors. eta vs tors. theta energy: -91.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 96
Temperature: 1.050000
Total energy: -728.053961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -728.053961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -728.053961 (E_RNA)
where:
Base-Base interactions energy: -381.769
where: short stacking energy: -263.116
Base-Backbone interact. energy: 3.905
local terms energy: -350.190250
where:
bonds (distance) C4'-P energy: -84.004
bonds (distance) P-C4' energy: -86.377
flat angles C4'-P-C4' energy: -86.527
flat angles P-C4'-P energy: -46.367
tors. eta vs tors. theta energy: -46.916
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 96
Temperature: 1.100000
Total energy: -715.944918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -715.944918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -715.944918 (E_RNA)
where:
Base-Base interactions energy: -351.989
where: short stacking energy: -251.250
Base-Backbone interact. energy: 0.896
local terms energy: -364.851213
where:
bonds (distance) C4'-P energy: -72.694
bonds (distance) P-C4' energy: -84.477
flat angles C4'-P-C4' energy: -99.803
flat angles P-C4'-P energy: -55.185
tors. eta vs tors. theta energy: -52.692
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 96
Temperature: 1.150000
Total energy: -649.263692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -649.263692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -649.263692 (E_RNA)
where:
Base-Base interactions energy: -308.171
where: short stacking energy: -197.531
Base-Backbone interact. energy: -2.132
local terms energy: -338.961133
where:
bonds (distance) C4'-P energy: -78.388
bonds (distance) P-C4' energy: -94.583
flat angles C4'-P-C4' energy: -81.038
flat angles P-C4'-P energy: -44.564
tors. eta vs tors. theta energy: -40.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 96
Temperature: 1.200000
Total energy: -450.362395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -450.362395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -450.362395 (E_RNA)
where:
Base-Base interactions energy: -156.966
where: short stacking energy: -131.105
Base-Backbone interact. energy: -2.026
local terms energy: -291.370883
where:
bonds (distance) C4'-P energy: -82.015
bonds (distance) P-C4' energy: -91.949
flat angles C4'-P-C4' energy: -61.906
flat angles P-C4'-P energy: -49.977
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: 8, replica: 10
=====================================
Write number: 96
Temperature: 1.250000
Total energy: -421.009416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.009416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -421.009416 (E_RNA)
where:
Base-Base interactions energy: -148.258
where: short stacking energy: -129.259
Base-Backbone interact. energy: 1.469
local terms energy: -274.220567
where:
bonds (distance) C4'-P energy: -67.141
bonds (distance) P-C4' energy: -91.700
flat angles C4'-P-C4' energy: -62.755
flat angles P-C4'-P energy: -41.439
tors. eta vs tors. theta energy: -11.185
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 96
Temperature: 1.300000
Total energy: -403.461826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.461826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -403.461826 (E_RNA)
where:
Base-Base interactions energy: -131.900
where: short stacking energy: -121.324
Base-Backbone interact. energy: -0.756
local terms energy: -270.806634
where:
bonds (distance) C4'-P energy: -87.487
bonds (distance) P-C4' energy: -83.483
flat angles C4'-P-C4' energy: -68.359
flat angles P-C4'-P energy: -34.111
tors. eta vs tors. theta energy: 2.634
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 96
Temperature: 1.350000
Total energy: -367.280878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.280878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.280878 (E_RNA)
where:
Base-Base interactions energy: -122.251
where: short stacking energy: -102.374
Base-Backbone interact. energy: 0.436
local terms energy: -245.465718
where:
bonds (distance) C4'-P energy: -55.768
bonds (distance) P-C4' energy: -88.402
flat angles C4'-P-C4' energy: -75.758
flat angles P-C4'-P energy: -35.626
tors. eta vs tors. theta energy: 10.088
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: 1, replica: 1
=====================================
Write number: 97
Temperature: 0.900000
Total energy: -1181.958343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1181.958343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1181.958343 (E_RNA)
where:
Base-Base interactions energy: -715.770
where: short stacking energy: -387.550
Base-Backbone interact. energy: -0.385
local terms energy: -465.803182
where:
bonds (distance) C4'-P energy: -89.696
bonds (distance) P-C4' energy: -85.903
flat angles C4'-P-C4' energy: -107.460
flat angles P-C4'-P energy: -69.934
tors. eta vs tors. theta energy: -112.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 97
Temperature: 0.950000
Total energy: -1007.920363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1007.920363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1007.920363 (E_RNA)
where:
Base-Base interactions energy: -578.059
where: short stacking energy: -342.417
Base-Backbone interact. energy: -1.168
local terms energy: -428.693459
where:
bonds (distance) C4'-P energy: -86.319
bonds (distance) P-C4' energy: -94.027
flat angles C4'-P-C4' energy: -94.141
flat angles P-C4'-P energy: -72.426
tors. eta vs tors. theta energy: -81.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 97
Temperature: 1.000000
Total energy: -982.538939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -982.538939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -982.538939 (E_RNA)
where:
Base-Base interactions energy: -554.136
where: short stacking energy: -319.505
Base-Backbone interact. energy: 2.545
local terms energy: -430.947968
where:
bonds (distance) C4'-P energy: -69.800
bonds (distance) P-C4' energy: -98.792
flat angles C4'-P-C4' energy: -99.427
flat angles P-C4'-P energy: -67.278
tors. eta vs tors. theta energy: -95.651
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: 4, replica: 6
=====================================
Write number: 97
Temperature: 1.050000
Total energy: -726.016420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -726.016420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -726.016420 (E_RNA)
where:
Base-Base interactions energy: -350.587
where: short stacking energy: -237.650
Base-Backbone interact. energy: -1.275
local terms energy: -374.154804
where:
bonds (distance) C4'-P energy: -80.139
bonds (distance) P-C4' energy: -87.407
flat angles C4'-P-C4' energy: -105.339
flat angles P-C4'-P energy: -54.774
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: 5, replica: 5
=====================================
Write number: 97
Temperature: 1.100000
Total energy: -660.529391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -660.529391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -660.529391 (E_RNA)
where:
Base-Base interactions energy: -326.153
where: short stacking energy: -218.948
Base-Backbone interact. energy: -1.123
local terms energy: -333.252939
where:
bonds (distance) C4'-P energy: -58.748
bonds (distance) P-C4' energy: -85.078
flat angles C4'-P-C4' energy: -96.953
flat angles P-C4'-P energy: -54.104
tors. eta vs tors. theta energy: -38.370
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: 7
=====================================
Write number: 97
Temperature: 1.150000
Total energy: -568.053196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -568.053196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -568.053196 (E_RNA)
where:
Base-Base interactions energy: -266.332
where: short stacking energy: -193.711
Base-Backbone interact. energy: 6.598
local terms energy: -308.319494
where:
bonds (distance) C4'-P energy: -79.028
bonds (distance) P-C4' energy: -92.190
flat angles C4'-P-C4' energy: -71.502
flat angles P-C4'-P energy: -47.498
tors. eta vs tors. theta energy: -18.102
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: 9
=====================================
Write number: 97
Temperature: 1.200000
Total energy: -447.451234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -447.451234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -447.451234 (E_RNA)
where:
Base-Base interactions energy: -158.378
where: short stacking energy: -134.992
Base-Backbone interact. energy: 1.061
local terms energy: -290.134280
where:
bonds (distance) C4'-P energy: -95.854
bonds (distance) P-C4' energy: -85.761
flat angles C4'-P-C4' energy: -55.113
flat angles P-C4'-P energy: -49.456
tors. eta vs tors. theta energy: -3.951
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 97
Temperature: 1.250000
Total energy: -431.272030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -431.272030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -431.272030 (E_RNA)
where:
Base-Base interactions energy: -163.697
where: short stacking energy: -143.160
Base-Backbone interact. energy: -0.434
local terms energy: -267.141035
where:
bonds (distance) C4'-P energy: -88.769
bonds (distance) P-C4' energy: -88.333
flat angles C4'-P-C4' energy: -54.688
flat angles P-C4'-P energy: -37.174
tors. eta vs tors. theta energy: 1.823
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 97
Temperature: 1.300000
Total energy: -378.009022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -378.009022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -378.009022 (E_RNA)
where:
Base-Base interactions energy: -121.069
where: short stacking energy: -86.738
Base-Backbone interact. energy: 1.735
local terms energy: -258.675198
where:
bonds (distance) C4'-P energy: -84.199
bonds (distance) P-C4' energy: -83.361
flat angles C4'-P-C4' energy: -63.302
flat angles P-C4'-P energy: -46.230
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: 10, replica: 3
=====================================
Write number: 97
Temperature: 1.350000
Total energy: -348.380640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.380640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.380640 (E_RNA)
where:
Base-Base interactions energy: -114.682
where: short stacking energy: -93.441
Base-Backbone interact. energy: 5.331
local terms energy: -239.029379
where:
bonds (distance) C4'-P energy: -76.332
bonds (distance) P-C4' energy: -83.671
flat angles C4'-P-C4' energy: -68.559
flat angles P-C4'-P energy: -39.555
tors. eta vs tors. theta energy: 29.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 98
Temperature: 0.900000
Total energy: -1177.724172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1177.724172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1177.724172 (E_RNA)
where:
Base-Base interactions energy: -712.494
where: short stacking energy: -380.929
Base-Backbone interact. energy: -1.421
local terms energy: -463.809116
where:
bonds (distance) C4'-P energy: -99.216
bonds (distance) P-C4' energy: -90.081
flat angles C4'-P-C4' energy: -113.613
flat angles P-C4'-P energy: -58.167
tors. eta vs tors. theta energy: -102.732
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 98
Temperature: 0.950000
Total energy: -1020.779941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1020.779941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1020.779941 (E_RNA)
where:
Base-Base interactions energy: -578.926
where: short stacking energy: -353.375
Base-Backbone interact. energy: -1.203
local terms energy: -440.650670
where:
bonds (distance) C4'-P energy: -98.523
bonds (distance) P-C4' energy: -86.366
flat angles C4'-P-C4' energy: -103.509
flat angles P-C4'-P energy: -56.809
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: 3, replica: 2
=====================================
Write number: 98
Temperature: 1.000000
Total energy: -950.825945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -950.825945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -950.825945 (E_RNA)
where:
Base-Base interactions energy: -522.547
where: short stacking energy: -331.613
Base-Backbone interact. energy: 1.714
local terms energy: -429.993599
where:
bonds (distance) C4'-P energy: -97.177
bonds (distance) P-C4' energy: -88.061
flat angles C4'-P-C4' energy: -90.280
flat angles P-C4'-P energy: -58.450
tors. eta vs tors. theta energy: -96.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 98
Temperature: 1.050000
Total energy: -757.177791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -757.177791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -757.177791 (E_RNA)
where:
Base-Base interactions energy: -371.368
where: short stacking energy: -251.240
Base-Backbone interact. energy: -1.276
local terms energy: -384.533640
where:
bonds (distance) C4'-P energy: -85.177
bonds (distance) P-C4' energy: -90.791
flat angles C4'-P-C4' energy: -88.810
flat angles P-C4'-P energy: -54.116
tors. eta vs tors. theta energy: -65.640
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 98
Temperature: 1.100000
Total energy: -647.834485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -647.834485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -647.834485 (E_RNA)
where:
Base-Base interactions energy: -307.019
where: short stacking energy: -190.654
Base-Backbone interact. energy: -2.295
local terms energy: -338.520707
where:
bonds (distance) C4'-P energy: -73.279
bonds (distance) P-C4' energy: -88.822
flat angles C4'-P-C4' energy: -91.485
flat angles P-C4'-P energy: -64.468
tors. eta vs tors. theta energy: -20.467
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: 7
=====================================
Write number: 98
Temperature: 1.150000
Total energy: -602.326219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -602.326219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -602.326219 (E_RNA)
where:
Base-Base interactions energy: -277.822
where: short stacking energy: -199.658
Base-Backbone interact. energy: -2.289
local terms energy: -322.215845
where:
bonds (distance) C4'-P energy: -91.770
bonds (distance) P-C4' energy: -71.115
flat angles C4'-P-C4' energy: -87.984
flat angles P-C4'-P energy: -38.875
tors. eta vs tors. theta energy: -32.473
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 98
Temperature: 1.200000
Total energy: -437.933181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -437.933181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -437.933181 (E_RNA)
where:
Base-Base interactions energy: -139.031
where: short stacking energy: -123.436
Base-Backbone interact. energy: -0.802
local terms energy: -298.100643
where:
bonds (distance) C4'-P energy: -71.634
bonds (distance) P-C4' energy: -87.106
flat angles C4'-P-C4' energy: -84.782
flat angles P-C4'-P energy: -43.461
tors. eta vs tors. theta energy: -11.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 98
Temperature: 1.250000
Total energy: -412.167697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.167697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.167697 (E_RNA)
where:
Base-Base interactions energy: -124.667
where: short stacking energy: -119.385
Base-Backbone interact. energy: 0.629
local terms energy: -288.129686
where:
bonds (distance) C4'-P energy: -88.964
bonds (distance) P-C4' energy: -74.527
flat angles C4'-P-C4' energy: -76.047
flat angles P-C4'-P energy: -50.855
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: 9, replica: 3
=====================================
Write number: 98
Temperature: 1.300000
Total energy: -393.845984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.845984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -393.845984 (E_RNA)
where:
Base-Base interactions energy: -150.473
where: short stacking energy: -134.165
Base-Backbone interact. energy: -1.578
local terms energy: -241.794730
where:
bonds (distance) C4'-P energy: -61.341
bonds (distance) P-C4' energy: -79.686
flat angles C4'-P-C4' energy: -72.469
flat angles P-C4'-P energy: -33.034
tors. eta vs tors. theta energy: 4.735
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 98
Temperature: 1.350000
Total energy: -342.864211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.864211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.864211 (E_RNA)
where:
Base-Base interactions energy: -105.133
where: short stacking energy: -85.573
Base-Backbone interact. energy: -0.257
local terms energy: -237.474625
where:
bonds (distance) C4'-P energy: -69.174
bonds (distance) P-C4' energy: -78.281
flat angles C4'-P-C4' energy: -70.854
flat angles P-C4'-P energy: -27.325
tors. eta vs tors. theta energy: 8.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 99
Temperature: 0.900000
Total energy: -1187.902984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1187.902984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1187.902984 (E_RNA)
where:
Base-Base interactions energy: -719.472
where: short stacking energy: -384.805
Base-Backbone interact. energy: -2.240
local terms energy: -466.190997
where:
bonds (distance) C4'-P energy: -95.302
bonds (distance) P-C4' energy: -101.837
flat angles C4'-P-C4' energy: -102.225
flat angles P-C4'-P energy: -66.696
tors. eta vs tors. theta energy: -100.130
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 99
Temperature: 0.950000
Total energy: -1067.225201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1067.225201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1067.225201 (E_RNA)
where:
Base-Base interactions energy: -610.636
where: short stacking energy: -372.903
Base-Backbone interact. energy: -2.019
local terms energy: -454.569625
where:
bonds (distance) C4'-P energy: -94.882
bonds (distance) P-C4' energy: -103.002
flat angles C4'-P-C4' energy: -98.993
flat angles P-C4'-P energy: -61.989
tors. eta vs tors. theta energy: -95.704
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 99
Temperature: 1.000000
Total energy: -983.880933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -983.880933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -983.880933 (E_RNA)
where:
Base-Base interactions energy: -570.743
where: short stacking energy: -347.938
Base-Backbone interact. energy: -0.735
local terms energy: -412.403368
where:
bonds (distance) C4'-P energy: -76.417
bonds (distance) P-C4' energy: -93.088
flat angles C4'-P-C4' energy: -93.473
flat angles P-C4'-P energy: -61.402
tors. eta vs tors. theta energy: -88.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 99
Temperature: 1.050000
Total energy: -727.561017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -727.561017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -727.561017 (E_RNA)
where:
Base-Base interactions energy: -385.766
where: short stacking energy: -227.164
Base-Backbone interact. energy: -2.162
local terms energy: -339.633656
where:
bonds (distance) C4'-P energy: -75.389
bonds (distance) P-C4' energy: -90.962
flat angles C4'-P-C4' energy: -79.671
flat angles P-C4'-P energy: -51.228
tors. eta vs tors. theta energy: -42.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 99
Temperature: 1.100000
Total energy: -677.540959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -677.540959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -677.540959 (E_RNA)
where:
Base-Base interactions energy: -315.477
where: short stacking energy: -222.391
Base-Backbone interact. energy: 0.241
local terms energy: -362.304945
where:
bonds (distance) C4'-P energy: -89.506
bonds (distance) P-C4' energy: -88.016
flat angles C4'-P-C4' energy: -93.031
flat angles P-C4'-P energy: -46.976
tors. eta vs tors. theta energy: -44.775
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: 7
=====================================
Write number: 99
Temperature: 1.150000
Total energy: -641.955779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -641.955779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -641.955779 (E_RNA)
where:
Base-Base interactions energy: -317.067
where: short stacking energy: -219.681
Base-Backbone interact. energy: -1.287
local terms energy: -323.601334
where:
bonds (distance) C4'-P energy: -79.191
bonds (distance) P-C4' energy: -85.383
flat angles C4'-P-C4' energy: -71.602
flat angles P-C4'-P energy: -40.799
tors. eta vs tors. theta energy: -46.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 99
Temperature: 1.200000
Total energy: -445.070694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -445.070694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -445.070694 (E_RNA)
where:
Base-Base interactions energy: -162.761
where: short stacking energy: -158.785
Base-Backbone interact. energy: 2.671
local terms energy: -284.979779
where:
bonds (distance) C4'-P energy: -73.271
bonds (distance) P-C4' energy: -87.855
flat angles C4'-P-C4' energy: -73.326
flat angles P-C4'-P energy: -43.248
tors. eta vs tors. theta energy: -7.279
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: 8, replica: 3
=====================================
Write number: 99
Temperature: 1.250000
Total energy: -400.462418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -400.462418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -400.462418 (E_RNA)
where:
Base-Base interactions energy: -140.424
where: short stacking energy: -138.352
Base-Backbone interact. energy: 2.474
local terms energy: -262.512172
where:
bonds (distance) C4'-P energy: -67.376
bonds (distance) P-C4' energy: -74.191
flat angles C4'-P-C4' energy: -84.650
flat angles P-C4'-P energy: -29.770
tors. eta vs tors. theta energy: -6.526
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: 10
=====================================
Write number: 99
Temperature: 1.300000
Total energy: -418.348446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.348446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.348446 (E_RNA)
where:
Base-Base interactions energy: -135.028
where: short stacking energy: -116.735
Base-Backbone interact. energy: -0.507
local terms energy: -282.812809
where:
bonds (distance) C4'-P energy: -69.299
bonds (distance) P-C4' energy: -88.225
flat angles C4'-P-C4' energy: -81.543
flat angles P-C4'-P energy: -53.191
tors. eta vs tors. theta energy: 9.445
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 99
Temperature: 1.350000
Total energy: -348.287951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.287951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.287951 (E_RNA)
where:
Base-Base interactions energy: -110.292
where: short stacking energy: -82.301
Base-Backbone interact. energy: 0.941
local terms energy: -238.936630
where:
bonds (distance) C4'-P energy: -71.136
bonds (distance) P-C4' energy: -88.778
flat angles C4'-P-C4' energy: -60.612
flat angles P-C4'-P energy: -40.392
tors. eta vs tors. theta energy: 21.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 100
Temperature: 0.900000
Total energy: -1184.299196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1184.299196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1184.299196 (E_RNA)
where:
Base-Base interactions energy: -734.586
where: short stacking energy: -405.765
Base-Backbone interact. energy: -2.023
local terms energy: -447.690229
where:
bonds (distance) C4'-P energy: -84.104
bonds (distance) P-C4' energy: -94.432
flat angles C4'-P-C4' energy: -100.669
flat angles P-C4'-P energy: -63.395
tors. eta vs tors. theta energy: -105.090
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 100
Temperature: 0.950000
Total energy: -1007.871592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1007.871592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1007.871592 (E_RNA)
where:
Base-Base interactions energy: -572.905
where: short stacking energy: -344.431
Base-Backbone interact. energy: -2.591
local terms energy: -432.376337
where:
bonds (distance) C4'-P energy: -83.585
bonds (distance) P-C4' energy: -99.313
flat angles C4'-P-C4' energy: -98.013
flat angles P-C4'-P energy: -62.151
tors. eta vs tors. theta energy: -89.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 100
Temperature: 1.000000
Total energy: -960.678447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -960.678447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -960.678447 (E_RNA)
where:
Base-Base interactions energy: -539.265
where: short stacking energy: -331.909
Base-Backbone interact. energy: -1.470
local terms energy: -419.943382
where:
bonds (distance) C4'-P energy: -76.192
bonds (distance) P-C4' energy: -93.836
flat angles C4'-P-C4' energy: -92.820
flat angles P-C4'-P energy: -68.016
tors. eta vs tors. theta energy: -89.079
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: 6
=====================================
Write number: 100
Temperature: 1.050000
Total energy: -729.631762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -729.631762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -729.631762 (E_RNA)
where:
Base-Base interactions energy: -378.457
where: short stacking energy: -223.209
Base-Backbone interact. energy: -2.435
local terms energy: -348.740236
where:
bonds (distance) C4'-P energy: -77.961
bonds (distance) P-C4' energy: -87.552
flat angles C4'-P-C4' energy: -91.545
flat angles P-C4'-P energy: -48.335
tors. eta vs tors. theta energy: -43.348
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: 5
=====================================
Write number: 100
Temperature: 1.100000
Total energy: -651.666774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -651.666774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -651.666774 (E_RNA)
where:
Base-Base interactions energy: -334.207
where: short stacking energy: -214.753
Base-Backbone interact. energy: -1.371
local terms energy: -316.088634
where:
bonds (distance) C4'-P energy: -86.799
bonds (distance) P-C4' energy: -67.461
flat angles C4'-P-C4' energy: -70.553
flat angles P-C4'-P energy: -58.457
tors. eta vs tors. theta energy: -32.820
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 100
Temperature: 1.150000
Total energy: -632.042637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -632.042637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -632.042637 (E_RNA)
where:
Base-Base interactions energy: -297.863
where: short stacking energy: -212.470
Base-Backbone interact. energy: -1.689
local terms energy: -332.489935
where:
bonds (distance) C4'-P energy: -87.843
bonds (distance) P-C4' energy: -89.550
flat angles C4'-P-C4' energy: -77.835
flat angles P-C4'-P energy: -56.640
tors. eta vs tors. theta energy: -20.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 100
Temperature: 1.200000
Total energy: -454.933839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -454.933839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -454.933839 (E_RNA)
where:
Base-Base interactions energy: -143.597
where: short stacking energy: -134.871
Base-Backbone interact. energy: -1.230
local terms energy: -310.106315
where:
bonds (distance) C4'-P energy: -77.807
bonds (distance) P-C4' energy: -82.436
flat angles C4'-P-C4' energy: -73.881
flat angles P-C4'-P energy: -50.784
tors. eta vs tors. theta energy: -25.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 100
Temperature: 1.250000
Total energy: -411.061077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.061077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.061077 (E_RNA)
where:
Base-Base interactions energy: -143.363
where: short stacking energy: -126.371
Base-Backbone interact. energy: 2.888
local terms energy: -270.586189
where:
bonds (distance) C4'-P energy: -76.736
bonds (distance) P-C4' energy: -83.487
flat angles C4'-P-C4' energy: -78.675
flat angles P-C4'-P energy: -31.678
tors. eta vs tors. theta energy: -0.011
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 100
Temperature: 1.300000
Total energy: -372.517746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -372.517746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -372.517746 (E_RNA)
where:
Base-Base interactions energy: -114.036
where: short stacking energy: -102.585
Base-Backbone interact. energy: 1.746
local terms energy: -260.227870
where:
bonds (distance) C4'-P energy: -68.031
bonds (distance) P-C4' energy: -90.913
flat angles C4'-P-C4' energy: -76.426
flat angles P-C4'-P energy: -38.084
tors. eta vs tors. theta energy: 13.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 100
Temperature: 1.350000
Total energy: -356.867831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.867831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.867831 (E_RNA)
where:
Base-Base interactions energy: -114.391
where: short stacking energy: -99.268
Base-Backbone interact. energy: -0.160
local terms energy: -242.316933
where:
bonds (distance) C4'-P energy: -79.483
bonds (distance) P-C4' energy: -74.207
flat angles C4'-P-C4' energy: -67.445
flat angles P-C4'-P energy: -41.448
tors. eta vs tors. theta energy: 20.266
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 101
Temperature: 0.900000
Total energy: -1206.983488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1206.983488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1206.983488 (E_RNA)
where:
Base-Base interactions energy: -751.134
where: short stacking energy: -398.902
Base-Backbone interact. energy: -4.374
local terms energy: -451.475997
where:
bonds (distance) C4'-P energy: -95.818
bonds (distance) P-C4' energy: -93.030
flat angles C4'-P-C4' energy: -97.251
flat angles P-C4'-P energy: -59.859
tors. eta vs tors. theta energy: -105.519
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: 2, replica: 4
=====================================
Write number: 101
Temperature: 0.950000
Total energy: -1016.075599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1016.075599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1016.075599 (E_RNA)
where:
Base-Base interactions energy: -581.302
where: short stacking energy: -336.936
Base-Backbone interact. energy: -1.263
local terms energy: -433.510599
where:
bonds (distance) C4'-P energy: -88.246
bonds (distance) P-C4' energy: -95.939
flat angles C4'-P-C4' energy: -97.359
flat angles P-C4'-P energy: -57.499
tors. eta vs tors. theta energy: -94.467
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: 2
=====================================
Write number: 101
Temperature: 1.000000
Total energy: -909.061623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -909.061623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -909.061623 (E_RNA)
where:
Base-Base interactions energy: -509.719
where: short stacking energy: -321.793
Base-Backbone interact. energy: -2.394
local terms energy: -396.948796
where:
bonds (distance) C4'-P energy: -80.838
bonds (distance) P-C4' energy: -87.419
flat angles C4'-P-C4' energy: -91.623
flat angles P-C4'-P energy: -62.075
tors. eta vs tors. theta energy: -74.994
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 101
Temperature: 1.050000
Total energy: -744.976530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -744.976530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -744.976530 (E_RNA)
where:
Base-Base interactions energy: -363.474
where: short stacking energy: -236.525
Base-Backbone interact. energy: 0.231
local terms energy: -381.733847
where:
bonds (distance) C4'-P energy: -84.343
bonds (distance) P-C4' energy: -88.630
flat angles C4'-P-C4' energy: -91.541
flat angles P-C4'-P energy: -58.675
tors. eta vs tors. theta energy: -58.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 101
Temperature: 1.100000
Total energy: -696.396107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -696.396107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -696.396107 (E_RNA)
where:
Base-Base interactions energy: -347.755
where: short stacking energy: -239.786
Base-Backbone interact. energy: -0.160
local terms energy: -348.480689
where:
bonds (distance) C4'-P energy: -81.294
bonds (distance) P-C4' energy: -78.039
flat angles C4'-P-C4' energy: -78.023
flat angles P-C4'-P energy: -61.601
tors. eta vs tors. theta energy: -49.522
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: 101
Temperature: 1.150000
Total energy: -661.053360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -661.053360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -661.053360 (E_RNA)
where:
Base-Base interactions energy: -321.042
where: short stacking energy: -209.327
Base-Backbone interact. energy: -0.058
local terms energy: -339.953463
where:
bonds (distance) C4'-P energy: -73.996
bonds (distance) P-C4' energy: -95.100
flat angles C4'-P-C4' energy: -83.172
flat angles P-C4'-P energy: -46.371
tors. eta vs tors. theta energy: -41.314
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 101
Temperature: 1.200000
Total energy: -450.618896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -450.618896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -450.618896 (E_RNA)
where:
Base-Base interactions energy: -163.719
where: short stacking energy: -156.980
Base-Backbone interact. energy: -1.485
local terms energy: -285.414589
where:
bonds (distance) C4'-P energy: -75.587
bonds (distance) P-C4' energy: -72.029
flat angles C4'-P-C4' energy: -70.753
flat angles P-C4'-P energy: -53.485
tors. eta vs tors. theta energy: -13.561
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: 3
=====================================
Write number: 101
Temperature: 1.250000
Total energy: -408.146673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -408.146673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -408.146673 (E_RNA)
where:
Base-Base interactions energy: -141.374
where: short stacking energy: -127.129
Base-Backbone interact. energy: 1.169
local terms energy: -267.941528
where:
bonds (distance) C4'-P energy: -68.912
bonds (distance) P-C4' energy: -93.145
flat angles C4'-P-C4' energy: -72.426
flat angles P-C4'-P energy: -42.710
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: 9, replica: 10
=====================================
Write number: 101
Temperature: 1.300000
Total energy: -389.675781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -389.675781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -389.675781 (E_RNA)
where:
Base-Base interactions energy: -120.385
where: short stacking energy: -115.170
Base-Backbone interact. energy: -0.482
local terms energy: -268.808749
where:
bonds (distance) C4'-P energy: -77.623
bonds (distance) P-C4' energy: -83.386
flat angles C4'-P-C4' energy: -71.974
flat angles P-C4'-P energy: -42.239
tors. eta vs tors. theta energy: 6.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 101
Temperature: 1.350000
Total energy: -356.858838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.858838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.858838 (E_RNA)
where:
Base-Base interactions energy: -117.608
where: short stacking energy: -100.511
Base-Backbone interact. energy: 0.220
local terms energy: -239.470197
where:
bonds (distance) C4'-P energy: -73.651
bonds (distance) P-C4' energy: -78.589
flat angles C4'-P-C4' energy: -66.272
flat angles P-C4'-P energy: -37.316
tors. eta vs tors. theta energy: 16.357
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 102
Temperature: 0.900000
Total energy: -1215.031499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1215.031499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1215.031499 (E_RNA)
where:
Base-Base interactions energy: -760.694
where: short stacking energy: -392.640
Base-Backbone interact. energy: -3.206
local terms energy: -451.131173
where:
bonds (distance) C4'-P energy: -84.904
bonds (distance) P-C4' energy: -88.994
flat angles C4'-P-C4' energy: -93.609
flat angles P-C4'-P energy: -73.537
tors. eta vs tors. theta energy: -110.086
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: 2, replica: 4
=====================================
Write number: 102
Temperature: 0.950000
Total energy: -1056.600675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1056.600675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1056.600675 (E_RNA)
where:
Base-Base interactions energy: -612.746
where: short stacking energy: -388.526
Base-Backbone interact. energy: -1.874
local terms energy: -441.980400
where:
bonds (distance) C4'-P energy: -89.346
bonds (distance) P-C4' energy: -86.473
flat angles C4'-P-C4' energy: -93.174
flat angles P-C4'-P energy: -70.793
tors. eta vs tors. theta energy: -102.194
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 102
Temperature: 1.000000
Total energy: -935.796141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -935.796141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -935.796141 (E_RNA)
where:
Base-Base interactions energy: -501.605
where: short stacking energy: -314.695
Base-Backbone interact. energy: -1.543
local terms energy: -432.647787
where:
bonds (distance) C4'-P energy: -97.397
bonds (distance) P-C4' energy: -88.144
flat angles C4'-P-C4' energy: -94.026
flat angles P-C4'-P energy: -68.449
tors. eta vs tors. theta energy: -84.632
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 102
Temperature: 1.050000
Total energy: -732.308955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -732.308955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -732.308955 (E_RNA)
where:
Base-Base interactions energy: -364.850
where: short stacking energy: -254.734
Base-Backbone interact. energy: 0.730
local terms energy: -368.189632
where:
bonds (distance) C4'-P energy: -72.209
bonds (distance) P-C4' energy: -87.749
flat angles C4'-P-C4' energy: -89.683
flat angles P-C4'-P energy: -62.916
tors. eta vs tors. theta energy: -55.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 102
Temperature: 1.100000
Total energy: -718.105959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -718.105959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -718.105959 (E_RNA)
where:
Base-Base interactions energy: -362.256
where: short stacking energy: -234.707
Base-Backbone interact. energy: -2.099
local terms energy: -353.750921
where:
bonds (distance) C4'-P energy: -93.371
bonds (distance) P-C4' energy: -80.706
flat angles C4'-P-C4' energy: -68.093
flat angles P-C4'-P energy: -53.900
tors. eta vs tors. theta energy: -57.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 102
Temperature: 1.150000
Total energy: -620.356923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -620.356923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -620.356923 (E_RNA)
where:
Base-Base interactions energy: -301.545
where: short stacking energy: -202.455
Base-Backbone interact. energy: -1.731
local terms energy: -317.081434
where:
bonds (distance) C4'-P energy: -76.802
bonds (distance) P-C4' energy: -84.245
flat angles C4'-P-C4' energy: -81.228
flat angles P-C4'-P energy: -35.948
tors. eta vs tors. theta energy: -38.858
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: 3
=====================================
Write number: 102
Temperature: 1.200000
Total energy: -469.308629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -469.308629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -469.308629 (E_RNA)
where:
Base-Base interactions energy: -170.386
where: short stacking energy: -136.377
Base-Backbone interact. energy: -1.618
local terms energy: -297.305070
where:
bonds (distance) C4'-P energy: -85.967
bonds (distance) P-C4' energy: -87.277
flat angles C4'-P-C4' energy: -72.882
flat angles P-C4'-P energy: -38.816
tors. eta vs tors. theta energy: -12.362
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: 9
=====================================
Write number: 102
Temperature: 1.250000
Total energy: -417.372473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.372473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.372473 (E_RNA)
where:
Base-Base interactions energy: -147.563
where: short stacking energy: -129.991
Base-Backbone interact. energy: -1.549
local terms energy: -268.260124
where:
bonds (distance) C4'-P energy: -80.389
bonds (distance) P-C4' energy: -75.295
flat angles C4'-P-C4' energy: -82.321
flat angles P-C4'-P energy: -40.180
tors. eta vs tors. theta energy: 9.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 102
Temperature: 1.300000
Total energy: -387.495604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -387.495604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -387.495604 (E_RNA)
where:
Base-Base interactions energy: -125.467
where: short stacking energy: -115.998
Base-Backbone interact. energy: 2.814
local terms energy: -264.842051
where:
bonds (distance) C4'-P energy: -75.151
bonds (distance) P-C4' energy: -79.576
flat angles C4'-P-C4' energy: -66.320
flat angles P-C4'-P energy: -42.557
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: 10
=====================================
Write number: 102
Temperature: 1.350000
Total energy: -368.661105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.661105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.661105 (E_RNA)
where:
Base-Base interactions energy: -132.537
where: short stacking energy: -121.114
Base-Backbone interact. energy: 0.604
local terms energy: -236.728422
where:
bonds (distance) C4'-P energy: -79.444
bonds (distance) P-C4' energy: -75.526
flat angles C4'-P-C4' energy: -62.328
flat angles P-C4'-P energy: -21.306
tors. eta vs tors. theta energy: 1.876
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: 1, replica: 1
=====================================
Write number: 103
Temperature: 0.900000
Total energy: -1238.113628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1238.113628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1238.113628 (E_RNA)
where:
Base-Base interactions energy: -768.154
where: short stacking energy: -409.768
Base-Backbone interact. energy: -3.303
local terms energy: -466.656140
where:
bonds (distance) C4'-P energy: -99.003
bonds (distance) P-C4' energy: -87.188
flat angles C4'-P-C4' energy: -106.352
flat angles P-C4'-P energy: -66.527
tors. eta vs tors. theta energy: -107.586
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 103
Temperature: 0.950000
Total energy: -1067.594083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1067.594083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1067.594083 (E_RNA)
where:
Base-Base interactions energy: -608.881
where: short stacking energy: -350.850
Base-Backbone interact. energy: 1.681
local terms energy: -460.394357
where:
bonds (distance) C4'-P energy: -88.041
bonds (distance) P-C4' energy: -99.751
flat angles C4'-P-C4' energy: -106.526
flat angles P-C4'-P energy: -63.252
tors. eta vs tors. theta energy: -102.824
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 103
Temperature: 1.000000
Total energy: -950.706805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -950.706805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -950.706805 (E_RNA)
where:
Base-Base interactions energy: -527.427
where: short stacking energy: -336.922
Base-Backbone interact. energy: 0.489
local terms energy: -423.768442
where:
bonds (distance) C4'-P energy: -91.827
bonds (distance) P-C4' energy: -86.841
flat angles C4'-P-C4' energy: -88.099
flat angles P-C4'-P energy: -62.711
tors. eta vs tors. theta energy: -94.290
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: 5
=====================================
Write number: 103
Temperature: 1.050000
Total energy: -734.734890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -734.734890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -734.734890 (E_RNA)
where:
Base-Base interactions energy: -391.785
where: short stacking energy: -265.495
Base-Backbone interact. energy: -1.282
local terms energy: -341.667495
where:
bonds (distance) C4'-P energy: -76.382
bonds (distance) P-C4' energy: -84.076
flat angles C4'-P-C4' energy: -84.077
flat angles P-C4'-P energy: -49.283
tors. eta vs tors. theta energy: -47.849
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: 103
Temperature: 1.100000
Total energy: -704.753862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -704.753862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -704.753862 (E_RNA)
where:
Base-Base interactions energy: -348.676
where: short stacking energy: -238.166
Base-Backbone interact. energy: 0.501
local terms energy: -356.578389
where:
bonds (distance) C4'-P energy: -83.849
bonds (distance) P-C4' energy: -89.335
flat angles C4'-P-C4' energy: -90.901
flat angles P-C4'-P energy: -45.905
tors. eta vs tors. theta energy: -46.589
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 103
Temperature: 1.150000
Total energy: -638.229628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -638.229628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -638.229628 (E_RNA)
where:
Base-Base interactions energy: -325.058
where: short stacking energy: -216.354
Base-Backbone interact. energy: 0.753
local terms energy: -313.924388
where:
bonds (distance) C4'-P energy: -73.512
bonds (distance) P-C4' energy: -73.508
flat angles C4'-P-C4' energy: -85.847
flat angles P-C4'-P energy: -42.449
tors. eta vs tors. theta energy: -38.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 103
Temperature: 1.200000
Total energy: -449.905843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -449.905843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -449.905843 (E_RNA)
where:
Base-Base interactions energy: -160.534
where: short stacking energy: -154.224
Base-Backbone interact. energy: 1.353
local terms energy: -290.724697
where:
bonds (distance) C4'-P energy: -82.220
bonds (distance) P-C4' energy: -92.338
flat angles C4'-P-C4' energy: -65.891
flat angles P-C4'-P energy: -46.113
tors. eta vs tors. theta energy: -4.163
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 103
Temperature: 1.250000
Total energy: -420.118013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.118013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -420.118013 (E_RNA)
where:
Base-Base interactions energy: -146.836
where: short stacking energy: -127.418
Base-Backbone interact. energy: 3.415
local terms energy: -276.696659
where:
bonds (distance) C4'-P energy: -98.289
bonds (distance) P-C4' energy: -74.289
flat angles C4'-P-C4' energy: -73.588
flat angles P-C4'-P energy: -46.641
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: 9, replica: 9
=====================================
Write number: 103
Temperature: 1.300000
Total energy: -391.809382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.809382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -391.809382 (E_RNA)
where:
Base-Base interactions energy: -150.045
where: short stacking energy: -122.616
Base-Backbone interact. energy: 4.381
local terms energy: -246.144903
where:
bonds (distance) C4'-P energy: -71.106
bonds (distance) P-C4' energy: -70.359
flat angles C4'-P-C4' energy: -68.400
flat angles P-C4'-P energy: -37.345
tors. eta vs tors. theta energy: 1.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 103
Temperature: 1.350000
Total energy: -348.657170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.657170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.657170 (E_RNA)
where:
Base-Base interactions energy: -108.663
where: short stacking energy: -97.127
Base-Backbone interact. energy: -3.369
local terms energy: -236.625520
where:
bonds (distance) C4'-P energy: -64.502
bonds (distance) P-C4' energy: -82.773
flat angles C4'-P-C4' energy: -64.616
flat angles P-C4'-P energy: -44.436
tors. eta vs tors. theta energy: 19.702
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 104
Temperature: 0.900000
Total energy: -1227.691799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1227.691799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1227.691799 (E_RNA)
where:
Base-Base interactions energy: -745.711
where: short stacking energy: -433.580
Base-Backbone interact. energy: -2.413
local terms energy: -479.566973
where:
bonds (distance) C4'-P energy: -95.467
bonds (distance) P-C4' energy: -97.401
flat angles C4'-P-C4' energy: -102.185
flat angles P-C4'-P energy: -63.000
tors. eta vs tors. theta energy: -121.513
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 104
Temperature: 0.950000
Total energy: -1057.876901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1057.876901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1057.876901 (E_RNA)
where:
Base-Base interactions energy: -623.578
where: short stacking energy: -372.730
Base-Backbone interact. energy: -0.462
local terms energy: -433.837211
where:
bonds (distance) C4'-P energy: -91.137
bonds (distance) P-C4' energy: -88.363
flat angles C4'-P-C4' energy: -101.969
flat angles P-C4'-P energy: -62.195
tors. eta vs tors. theta energy: -90.174
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: 2
=====================================
Write number: 104
Temperature: 1.000000
Total energy: -940.313550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -940.313550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -940.313550 (E_RNA)
where:
Base-Base interactions energy: -511.865
where: short stacking energy: -326.663
Base-Backbone interact. energy: 1.878
local terms energy: -430.326586
where:
bonds (distance) C4'-P energy: -93.089
bonds (distance) P-C4' energy: -93.004
flat angles C4'-P-C4' energy: -90.825
flat angles P-C4'-P energy: -62.634
tors. eta vs tors. theta energy: -90.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 104
Temperature: 1.050000
Total energy: -769.300263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -769.300263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -769.300263 (E_RNA)
where:
Base-Base interactions energy: -381.531
where: short stacking energy: -257.381
Base-Backbone interact. energy: -1.260
local terms energy: -386.509206
where:
bonds (distance) C4'-P energy: -86.117
bonds (distance) P-C4' energy: -87.521
flat angles C4'-P-C4' energy: -92.049
flat angles P-C4'-P energy: -57.428
tors. eta vs tors. theta energy: -63.394
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 104
Temperature: 1.100000
Total energy: -688.286809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -688.286809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -688.286809 (E_RNA)
where:
Base-Base interactions energy: -349.056
where: short stacking energy: -219.961
Base-Backbone interact. energy: 1.007
local terms energy: -340.238378
where:
bonds (distance) C4'-P energy: -73.945
bonds (distance) P-C4' energy: -88.990
flat angles C4'-P-C4' energy: -78.454
flat angles P-C4'-P energy: -48.031
tors. eta vs tors. theta energy: -50.818
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 104
Temperature: 1.150000
Total energy: -654.957796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -654.957796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -654.957796 (E_RNA)
where:
Base-Base interactions energy: -315.296
where: short stacking energy: -207.372
Base-Backbone interact. energy: -2.898
local terms energy: -336.763790
where:
bonds (distance) C4'-P energy: -86.118
bonds (distance) P-C4' energy: -90.265
flat angles C4'-P-C4' energy: -84.961
flat angles P-C4'-P energy: -45.456
tors. eta vs tors. theta energy: -29.963
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 104
Temperature: 1.200000
Total energy: -476.502576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.502576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.502576 (E_RNA)
where:
Base-Base interactions energy: -171.098
where: short stacking energy: -154.499
Base-Backbone interact. energy: -1.039
local terms energy: -304.365994
where:
bonds (distance) C4'-P energy: -77.067
bonds (distance) P-C4' energy: -87.304
flat angles C4'-P-C4' energy: -76.081
flat angles P-C4'-P energy: -42.730
tors. eta vs tors. theta energy: -21.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 104
Temperature: 1.250000
Total energy: -415.979711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -415.979711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -415.979711 (E_RNA)
where:
Base-Base interactions energy: -150.626
where: short stacking energy: -142.331
Base-Backbone interact. energy: -1.456
local terms energy: -263.897867
where:
bonds (distance) C4'-P energy: -73.996
bonds (distance) P-C4' energy: -73.959
flat angles C4'-P-C4' energy: -63.400
flat angles P-C4'-P energy: -61.179
tors. eta vs tors. theta energy: 8.636
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 104
Temperature: 1.300000
Total energy: -388.830340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -388.830340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -388.830340 (E_RNA)
where:
Base-Base interactions energy: -152.197
where: short stacking energy: -117.724
Base-Backbone interact. energy: 0.501
local terms energy: -237.133632
where:
bonds (distance) C4'-P energy: -67.959
bonds (distance) P-C4' energy: -77.713
flat angles C4'-P-C4' energy: -59.829
flat angles P-C4'-P energy: -33.477
tors. eta vs tors. theta energy: 1.845
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: 10
=====================================
Write number: 104
Temperature: 1.350000
Total energy: -335.838318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.838318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.838318 (E_RNA)
where:
Base-Base interactions energy: -108.562
where: short stacking energy: -83.234
Base-Backbone interact. energy: 8.710
local terms energy: -235.986338
where:
bonds (distance) C4'-P energy: -80.026
bonds (distance) P-C4' energy: -77.812
flat angles C4'-P-C4' energy: -63.689
flat angles P-C4'-P energy: -35.554
tors. eta vs tors. theta energy: 21.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 105
Temperature: 0.900000
Total energy: -1218.821508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1218.821508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1218.821508 (E_RNA)
where:
Base-Base interactions energy: -759.091
where: short stacking energy: -407.157
Base-Backbone interact. energy: -2.981
local terms energy: -456.749384
where:
bonds (distance) C4'-P energy: -72.380
bonds (distance) P-C4' energy: -92.292
flat angles C4'-P-C4' energy: -97.234
flat angles P-C4'-P energy: -73.950
tors. eta vs tors. theta energy: -120.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 105
Temperature: 0.950000
Total energy: -1048.829253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1048.829253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1048.829253 (E_RNA)
where:
Base-Base interactions energy: -591.679
where: short stacking energy: -375.651
Base-Backbone interact. energy: 0.067
local terms energy: -457.217005
where:
bonds (distance) C4'-P energy: -96.727
bonds (distance) P-C4' energy: -93.127
flat angles C4'-P-C4' energy: -94.379
flat angles P-C4'-P energy: -63.196
tors. eta vs tors. theta energy: -109.788
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 105
Temperature: 1.000000
Total energy: -930.297574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -930.297574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -930.297574 (E_RNA)
where:
Base-Base interactions energy: -518.041
where: short stacking energy: -343.754
Base-Backbone interact. energy: -0.561
local terms energy: -411.694820
where:
bonds (distance) C4'-P energy: -79.860
bonds (distance) P-C4' energy: -92.261
flat angles C4'-P-C4' energy: -86.741
flat angles P-C4'-P energy: -66.373
tors. eta vs tors. theta energy: -86.460
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 105
Temperature: 1.050000
Total energy: -709.621652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -709.621652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -709.621652 (E_RNA)
where:
Base-Base interactions energy: -355.565
where: short stacking energy: -232.207
Base-Backbone interact. energy: -1.418
local terms energy: -352.637970
where:
bonds (distance) C4'-P energy: -93.856
bonds (distance) P-C4' energy: -88.232
flat angles C4'-P-C4' energy: -68.836
flat angles P-C4'-P energy: -51.998
tors. eta vs tors. theta energy: -49.717
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 105
Temperature: 1.100000
Total energy: -709.577863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -709.577863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -709.577863 (E_RNA)
where:
Base-Base interactions energy: -346.952
where: short stacking energy: -222.423
Base-Backbone interact. energy: 0.321
local terms energy: -362.946670
where:
bonds (distance) C4'-P energy: -88.559
bonds (distance) P-C4' energy: -72.163
flat angles C4'-P-C4' energy: -87.402
flat angles P-C4'-P energy: -67.699
tors. eta vs tors. theta energy: -47.124
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: 6, replica: 7
=====================================
Write number: 105
Temperature: 1.150000
Total energy: -599.885559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -599.885559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -599.885559 (E_RNA)
where:
Base-Base interactions energy: -285.377
where: short stacking energy: -181.154
Base-Backbone interact. energy: 0.611
local terms energy: -315.119441
where:
bonds (distance) C4'-P energy: -78.691
bonds (distance) P-C4' energy: -74.933
flat angles C4'-P-C4' energy: -77.481
flat angles P-C4'-P energy: -50.042
tors. eta vs tors. theta energy: -33.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 105
Temperature: 1.200000
Total energy: -455.505231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -455.505231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -455.505231 (E_RNA)
where:
Base-Base interactions energy: -159.638
where: short stacking energy: -129.631
Base-Backbone interact. energy: -1.340
local terms energy: -294.526489
where:
bonds (distance) C4'-P energy: -90.456
bonds (distance) P-C4' energy: -77.438
flat angles C4'-P-C4' energy: -77.650
flat angles P-C4'-P energy: -47.320
tors. eta vs tors. theta energy: -1.663
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: 8
=====================================
Write number: 105
Temperature: 1.250000
Total energy: -418.912408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.912408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.912408 (E_RNA)
where:
Base-Base interactions energy: -160.833
where: short stacking energy: -113.964
Base-Backbone interact. energy: -1.411
local terms energy: -256.668698
where:
bonds (distance) C4'-P energy: -74.190
bonds (distance) P-C4' energy: -78.000
flat angles C4'-P-C4' energy: -65.381
flat angles P-C4'-P energy: -50.331
tors. eta vs tors. theta energy: 11.233
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: 9
=====================================
Write number: 105
Temperature: 1.300000
Total energy: -385.077424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -385.077424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -385.077424 (E_RNA)
where:
Base-Base interactions energy: -114.181
where: short stacking energy: -111.333
Base-Backbone interact. energy: 0.601
local terms energy: -271.497104
where:
bonds (distance) C4'-P energy: -85.519
bonds (distance) P-C4' energy: -67.691
flat angles C4'-P-C4' energy: -76.690
flat angles P-C4'-P energy: -51.209
tors. eta vs tors. theta energy: 9.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 105
Temperature: 1.350000
Total energy: -365.009786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.009786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.009786 (E_RNA)
where:
Base-Base interactions energy: -131.886
where: short stacking energy: -99.062
Base-Backbone interact. energy: 0.042
local terms energy: -233.166451
where:
bonds (distance) C4'-P energy: -82.302
bonds (distance) P-C4' energy: -74.856
flat angles C4'-P-C4' energy: -64.284
flat angles P-C4'-P energy: -24.496
tors. eta vs tors. theta energy: 12.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 106
Temperature: 0.900000
Total energy: -1241.415659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1241.415659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1241.415659 (E_RNA)
where:
Base-Base interactions energy: -765.828
where: short stacking energy: -401.506
Base-Backbone interact. energy: -4.002
local terms energy: -471.585617
where:
bonds (distance) C4'-P energy: -93.972
bonds (distance) P-C4' energy: -90.934
flat angles C4'-P-C4' energy: -99.110
flat angles P-C4'-P energy: -64.285
tors. eta vs tors. theta energy: -123.284
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: 4
=====================================
Write number: 106
Temperature: 0.950000
Total energy: -1062.574520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1062.574520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1062.574520 (E_RNA)
where:
Base-Base interactions energy: -601.961
where: short stacking energy: -380.479
Base-Backbone interact. energy: -2.387
local terms energy: -458.226542
where:
bonds (distance) C4'-P energy: -86.144
bonds (distance) P-C4' energy: -87.786
flat angles C4'-P-C4' energy: -103.040
flat angles P-C4'-P energy: -69.653
tors. eta vs tors. theta energy: -111.604
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 106
Temperature: 1.000000
Total energy: -950.588344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -950.588344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -950.588344 (E_RNA)
where:
Base-Base interactions energy: -527.079
where: short stacking energy: -341.006
Base-Backbone interact. energy: -1.718
local terms energy: -421.791862
where:
bonds (distance) C4'-P energy: -93.243
bonds (distance) P-C4' energy: -86.494
flat angles C4'-P-C4' energy: -94.361
flat angles P-C4'-P energy: -59.797
tors. eta vs tors. theta energy: -87.898
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: 6
=====================================
Write number: 106
Temperature: 1.050000
Total energy: -758.665477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -758.665477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -758.665477 (E_RNA)
where:
Base-Base interactions energy: -390.073
where: short stacking energy: -255.475
Base-Backbone interact. energy: 1.645
local terms energy: -370.237377
where:
bonds (distance) C4'-P energy: -88.071
bonds (distance) P-C4' energy: -90.869
flat angles C4'-P-C4' energy: -86.877
flat angles P-C4'-P energy: -39.149
tors. eta vs tors. theta energy: -65.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 106
Temperature: 1.100000
Total energy: -644.385035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -644.385035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -644.385035 (E_RNA)
where:
Base-Base interactions energy: -303.228
where: short stacking energy: -186.278
Base-Backbone interact. energy: -2.442
local terms energy: -338.715092
where:
bonds (distance) C4'-P energy: -85.221
bonds (distance) P-C4' energy: -100.586
flat angles C4'-P-C4' energy: -74.369
flat angles P-C4'-P energy: -50.303
tors. eta vs tors. theta energy: -28.237
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: 5
=====================================
Write number: 106
Temperature: 1.150000
Total energy: -660.327726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -660.327726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -660.327726 (E_RNA)
where:
Base-Base interactions energy: -340.275
where: short stacking energy: -206.234
Base-Backbone interact. energy: 0.449
local terms energy: -320.501476
where:
bonds (distance) C4'-P energy: -69.896
bonds (distance) P-C4' energy: -90.050
flat angles C4'-P-C4' energy: -76.858
flat angles P-C4'-P energy: -46.822
tors. eta vs tors. theta energy: -36.876
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 106
Temperature: 1.200000
Total energy: -457.625872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -457.625872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -457.625872 (E_RNA)
where:
Base-Base interactions energy: -172.704
where: short stacking energy: -156.229
Base-Backbone interact. energy: -1.721
local terms energy: -283.201221
where:
bonds (distance) C4'-P energy: -66.302
bonds (distance) P-C4' energy: -83.655
flat angles C4'-P-C4' energy: -90.589
flat angles P-C4'-P energy: -28.930
tors. eta vs tors. theta energy: -13.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 106
Temperature: 1.250000
Total energy: -397.733987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -397.733987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -397.733987 (E_RNA)
where:
Base-Base interactions energy: -117.721
where: short stacking energy: -114.319
Base-Backbone interact. energy: 3.534
local terms energy: -283.546616
where:
bonds (distance) C4'-P energy: -66.961
bonds (distance) P-C4' energy: -81.609
flat angles C4'-P-C4' energy: -82.361
flat angles P-C4'-P energy: -45.398
tors. eta vs tors. theta energy: -7.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 106
Temperature: 1.300000
Total energy: -376.092569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -376.092569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -376.092569 (E_RNA)
where:
Base-Base interactions energy: -113.125
where: short stacking energy: -95.261
Base-Backbone interact. energy: -2.292
local terms energy: -260.675697
where:
bonds (distance) C4'-P energy: -69.511
bonds (distance) P-C4' energy: -83.430
flat angles C4'-P-C4' energy: -74.988
flat angles P-C4'-P energy: -45.797
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: 10, replica: 9
=====================================
Write number: 106
Temperature: 1.350000
Total energy: -345.619623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.619623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.619623 (E_RNA)
where:
Base-Base interactions energy: -110.231
where: short stacking energy: -97.923
Base-Backbone interact. energy: 0.301
local terms energy: -235.689820
where:
bonds (distance) C4'-P energy: -79.839
bonds (distance) P-C4' energy: -58.625
flat angles C4'-P-C4' energy: -62.274
flat angles P-C4'-P energy: -51.475
tors. eta vs tors. theta energy: 16.523
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: 1
=====================================
Write number: 107
Temperature: 0.900000
Total energy: -1222.170796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1222.170796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1222.170796 (E_RNA)
where:
Base-Base interactions energy: -755.812
where: short stacking energy: -381.426
Base-Backbone interact. energy: -3.472
local terms energy: -462.887216
where:
bonds (distance) C4'-P energy: -88.030
bonds (distance) P-C4' energy: -91.131
flat angles C4'-P-C4' energy: -103.883
flat angles P-C4'-P energy: -68.510
tors. eta vs tors. theta energy: -111.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 107
Temperature: 0.950000
Total energy: -1088.696999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1088.696999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1088.696999 (E_RNA)
where:
Base-Base interactions energy: -632.771
where: short stacking energy: -376.287
Base-Backbone interact. energy: -0.889
local terms energy: -455.037459
where:
bonds (distance) C4'-P energy: -97.642
bonds (distance) P-C4' energy: -93.786
flat angles C4'-P-C4' energy: -100.422
flat angles P-C4'-P energy: -59.757
tors. eta vs tors. theta energy: -103.431
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 107
Temperature: 1.000000
Total energy: -903.981887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -903.981887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -903.981887 (E_RNA)
where:
Base-Base interactions energy: -496.875
where: short stacking energy: -320.825
Base-Backbone interact. energy: -1.150
local terms energy: -405.957081
where:
bonds (distance) C4'-P energy: -78.991
bonds (distance) P-C4' energy: -99.070
flat angles C4'-P-C4' energy: -90.920
flat angles P-C4'-P energy: -67.953
tors. eta vs tors. theta energy: -69.023
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 107
Temperature: 1.050000
Total energy: -771.190258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -771.190258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -771.190258 (E_RNA)
where:
Base-Base interactions energy: -395.487
where: short stacking energy: -277.007
Base-Backbone interact. energy: 1.784
local terms energy: -377.487375
where:
bonds (distance) C4'-P energy: -86.994
bonds (distance) P-C4' energy: -70.574
flat angles C4'-P-C4' energy: -93.098
flat angles P-C4'-P energy: -59.114
tors. eta vs tors. theta energy: -67.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 107
Temperature: 1.100000
Total energy: -645.969128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -645.969128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -645.969128 (E_RNA)
where:
Base-Base interactions energy: -315.635
where: short stacking energy: -213.944
Base-Backbone interact. energy: -0.233
local terms energy: -330.100805
where:
bonds (distance) C4'-P energy: -83.156
bonds (distance) P-C4' energy: -91.313
flat angles C4'-P-C4' energy: -66.266
flat angles P-C4'-P energy: -53.095
tors. eta vs tors. theta energy: -36.270
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 107
Temperature: 1.150000
Total energy: -669.703932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -669.703932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -669.703932 (E_RNA)
where:
Base-Base interactions energy: -338.548
where: short stacking energy: -216.634
Base-Backbone interact. energy: -1.232
local terms energy: -329.923344
where:
bonds (distance) C4'-P energy: -83.342
bonds (distance) P-C4' energy: -82.743
flat angles C4'-P-C4' energy: -78.514
flat angles P-C4'-P energy: -53.790
tors. eta vs tors. theta energy: -31.534
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: 8
=====================================
Write number: 107
Temperature: 1.200000
Total energy: -433.568111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -433.568111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -433.568111 (E_RNA)
where:
Base-Base interactions energy: -149.906
where: short stacking energy: -106.307
Base-Backbone interact. energy: 1.723
local terms energy: -285.385233
where:
bonds (distance) C4'-P energy: -64.543
bonds (distance) P-C4' energy: -92.199
flat angles C4'-P-C4' energy: -72.166
flat angles P-C4'-P energy: -57.756
tors. eta vs tors. theta energy: 1.278
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 107
Temperature: 1.250000
Total energy: -429.074756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -429.074756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -429.074756 (E_RNA)
where:
Base-Base interactions energy: -138.739
where: short stacking energy: -116.900
Base-Backbone interact. energy: -0.303
local terms energy: -290.032815
where:
bonds (distance) C4'-P energy: -90.511
bonds (distance) P-C4' energy: -81.226
flat angles C4'-P-C4' energy: -78.527
flat angles P-C4'-P energy: -37.310
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: 9, replica: 10
=====================================
Write number: 107
Temperature: 1.300000
Total energy: -385.196912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -385.196912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -385.196912 (E_RNA)
where:
Base-Base interactions energy: -128.861
where: short stacking energy: -108.858
Base-Backbone interact. energy: -2.826
local terms energy: -253.509941
where:
bonds (distance) C4'-P energy: -71.097
bonds (distance) P-C4' energy: -77.579
flat angles C4'-P-C4' energy: -73.422
flat angles P-C4'-P energy: -48.445
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: 10, replica: 9
=====================================
Write number: 107
Temperature: 1.350000
Total energy: -346.889681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.889681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.889681 (E_RNA)
where:
Base-Base interactions energy: -92.739
where: short stacking energy: -89.012
Base-Backbone interact. energy: 1.553
local terms energy: -255.703592
where:
bonds (distance) C4'-P energy: -68.818
bonds (distance) P-C4' energy: -97.688
flat angles C4'-P-C4' energy: -63.203
flat angles P-C4'-P energy: -38.546
tors. eta vs tors. theta energy: 12.552
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 108
Temperature: 0.900000
Total energy: -1217.292280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1217.292280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1217.292280 (E_RNA)
where:
Base-Base interactions energy: -749.901
where: short stacking energy: -400.754
Base-Backbone interact. energy: -2.481
local terms energy: -464.910315
where:
bonds (distance) C4'-P energy: -100.932
bonds (distance) P-C4' energy: -100.438
flat angles C4'-P-C4' energy: -96.502
flat angles P-C4'-P energy: -54.963
tors. eta vs tors. theta energy: -112.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 108
Temperature: 0.950000
Total energy: -1061.510511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1061.510511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1061.510511 (E_RNA)
where:
Base-Base interactions energy: -627.981
where: short stacking energy: -372.364
Base-Backbone interact. energy: -3.525
local terms energy: -430.004713
where:
bonds (distance) C4'-P energy: -91.092
bonds (distance) P-C4' energy: -85.753
flat angles C4'-P-C4' energy: -100.105
flat angles P-C4'-P energy: -64.368
tors. eta vs tors. theta energy: -88.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 108
Temperature: 1.000000
Total energy: -883.209136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -883.209136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -883.209136 (E_RNA)
where:
Base-Base interactions energy: -492.445
where: short stacking energy: -311.611
Base-Backbone interact. energy: 1.705
local terms energy: -392.468382
where:
bonds (distance) C4'-P energy: -78.333
bonds (distance) P-C4' energy: -81.680
flat angles C4'-P-C4' energy: -90.928
flat angles P-C4'-P energy: -62.503
tors. eta vs tors. theta energy: -79.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 108
Temperature: 1.050000
Total energy: -744.856430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -744.856430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -744.856430 (E_RNA)
where:
Base-Base interactions energy: -346.534
where: short stacking energy: -243.643
Base-Backbone interact. energy: -1.289
local terms energy: -397.033528
where:
bonds (distance) C4'-P energy: -89.989
bonds (distance) P-C4' energy: -93.526
flat angles C4'-P-C4' energy: -90.225
flat angles P-C4'-P energy: -57.744
tors. eta vs tors. theta energy: -65.549
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: 7
=====================================
Write number: 108
Temperature: 1.100000
Total energy: -661.993888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -661.993888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -661.993888 (E_RNA)
where:
Base-Base interactions energy: -298.121
where: short stacking energy: -211.961
Base-Backbone interact. energy: -1.699
local terms energy: -362.173175
where:
bonds (distance) C4'-P energy: -91.556
bonds (distance) P-C4' energy: -84.450
flat angles C4'-P-C4' energy: -98.406
flat angles P-C4'-P energy: -57.105
tors. eta vs tors. theta energy: -30.657
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: 5
=====================================
Write number: 108
Temperature: 1.150000
Total energy: -610.991677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -610.991677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -610.991677 (E_RNA)
where:
Base-Base interactions energy: -287.592
where: short stacking energy: -208.130
Base-Backbone interact. energy: -1.514
local terms energy: -321.886044
where:
bonds (distance) C4'-P energy: -76.646
bonds (distance) P-C4' energy: -82.131
flat angles C4'-P-C4' energy: -79.788
flat angles P-C4'-P energy: -52.722
tors. eta vs tors. theta energy: -30.598
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: 3
=====================================
Write number: 108
Temperature: 1.200000
Total energy: -433.372471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -433.372471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -433.372471 (E_RNA)
where:
Base-Base interactions energy: -171.377
where: short stacking energy: -158.263
Base-Backbone interact. energy: -1.296
local terms energy: -260.698754
where:
bonds (distance) C4'-P energy: -72.841
bonds (distance) P-C4' energy: -72.847
flat angles C4'-P-C4' energy: -78.145
flat angles P-C4'-P energy: -32.443
tors. eta vs tors. theta energy: -4.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 108
Temperature: 1.250000
Total energy: -413.975638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.975638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -413.975638 (E_RNA)
where:
Base-Base interactions energy: -126.262
where: short stacking energy: -118.295
Base-Backbone interact. energy: -0.594
local terms energy: -287.118925
where:
bonds (distance) C4'-P energy: -78.448
bonds (distance) P-C4' energy: -97.425
flat angles C4'-P-C4' energy: -77.193
flat angles P-C4'-P energy: -43.646
tors. eta vs tors. theta energy: 9.593
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: 9
=====================================
Write number: 108
Temperature: 1.300000
Total energy: -403.577203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.577203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -403.577203 (E_RNA)
where:
Base-Base interactions energy: -135.623
where: short stacking energy: -107.458
Base-Backbone interact. energy: -1.029
local terms energy: -266.924984
where:
bonds (distance) C4'-P energy: -77.693
bonds (distance) P-C4' energy: -78.344
flat angles C4'-P-C4' energy: -73.558
flat angles P-C4'-P energy: -51.509
tors. eta vs tors. theta energy: 14.179
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: 10, replica: 10
=====================================
Write number: 108
Temperature: 1.350000
Total energy: -348.057641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.057641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.057641 (E_RNA)
where:
Base-Base interactions energy: -123.473
where: short stacking energy: -112.361
Base-Backbone interact. energy: 0.200
local terms energy: -224.785527
where:
bonds (distance) C4'-P energy: -87.230
bonds (distance) P-C4' energy: -76.613
flat angles C4'-P-C4' energy: -42.409
flat angles P-C4'-P energy: -31.927
tors. eta vs tors. theta energy: 13.394
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 109
Temperature: 0.900000
Total energy: -1229.938687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1229.938687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1229.938687 (E_RNA)
where:
Base-Base interactions energy: -746.090
where: short stacking energy: -389.835
Base-Backbone interact. energy: -3.811
local terms energy: -480.037368
where:
bonds (distance) C4'-P energy: -92.164
bonds (distance) P-C4' energy: -96.811
flat angles C4'-P-C4' energy: -102.198
flat angles P-C4'-P energy: -69.744
tors. eta vs tors. theta energy: -119.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 109
Temperature: 0.950000
Total energy: -1038.122461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1038.122461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1038.122461 (E_RNA)
where:
Base-Base interactions energy: -607.526
where: short stacking energy: -367.268
Base-Backbone interact. energy: 0.519
local terms energy: -431.115613
where:
bonds (distance) C4'-P energy: -77.619
bonds (distance) P-C4' energy: -99.632
flat angles C4'-P-C4' energy: -95.106
flat angles P-C4'-P energy: -57.637
tors. eta vs tors. theta energy: -101.121
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: 2
=====================================
Write number: 109
Temperature: 1.000000
Total energy: -954.889244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -954.889244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -954.889244 (E_RNA)
where:
Base-Base interactions energy: -538.069
where: short stacking energy: -333.408
Base-Backbone interact. energy: -0.814
local terms energy: -416.005884
where:
bonds (distance) C4'-P energy: -83.525
bonds (distance) P-C4' energy: -84.169
flat angles C4'-P-C4' energy: -90.807
flat angles P-C4'-P energy: -63.769
tors. eta vs tors. theta energy: -93.735
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: 6
=====================================
Write number: 109
Temperature: 1.050000
Total energy: -790.307818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -790.307818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -790.307818 (E_RNA)
where:
Base-Base interactions energy: -411.582
where: short stacking energy: -275.550
Base-Backbone interact. energy: 1.453
local terms energy: -380.178977
where:
bonds (distance) C4'-P energy: -90.520
bonds (distance) P-C4' energy: -70.195
flat angles C4'-P-C4' energy: -93.903
flat angles P-C4'-P energy: -58.772
tors. eta vs tors. theta energy: -66.789
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 109
Temperature: 1.100000
Total energy: -709.197891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -709.197891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -709.197891 (E_RNA)
where:
Base-Base interactions energy: -354.608
where: short stacking energy: -222.460
Base-Backbone interact. energy: 1.850
local terms energy: -356.440166
where:
bonds (distance) C4'-P energy: -79.504
bonds (distance) P-C4' energy: -95.522
flat angles C4'-P-C4' energy: -85.275
flat angles P-C4'-P energy: -64.535
tors. eta vs tors. theta energy: -31.604
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 109
Temperature: 1.150000
Total energy: -600.557057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -600.557057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -600.557057 (E_RNA)
where:
Base-Base interactions energy: -285.066
where: short stacking energy: -195.169
Base-Backbone interact. energy: 1.828
local terms energy: -317.318188
where:
bonds (distance) C4'-P energy: -87.385
bonds (distance) P-C4' energy: -90.217
flat angles C4'-P-C4' energy: -84.320
flat angles P-C4'-P energy: -22.399
tors. eta vs tors. theta energy: -32.997
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 109
Temperature: 1.200000
Total energy: -461.089614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -461.089614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -461.089614 (E_RNA)
where:
Base-Base interactions energy: -178.819
where: short stacking energy: -157.446
Base-Backbone interact. energy: -0.799
local terms energy: -281.471435
where:
bonds (distance) C4'-P energy: -79.742
bonds (distance) P-C4' energy: -72.592
flat angles C4'-P-C4' energy: -65.477
flat angles P-C4'-P energy: -44.250
tors. eta vs tors. theta energy: -19.412
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 109
Temperature: 1.250000
Total energy: -440.310587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -440.310587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -440.310587 (E_RNA)
where:
Base-Base interactions energy: -150.841
where: short stacking energy: -148.456
Base-Backbone interact. energy: 1.544
local terms energy: -291.012781
where:
bonds (distance) C4'-P energy: -88.115
bonds (distance) P-C4' energy: -84.815
flat angles C4'-P-C4' energy: -73.636
flat angles P-C4'-P energy: -30.375
tors. eta vs tors. theta energy: -14.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 109
Temperature: 1.300000
Total energy: -385.916691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -385.916691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -385.916691 (E_RNA)
where:
Base-Base interactions energy: -145.160
where: short stacking energy: -115.251
Base-Backbone interact. energy: 1.211
local terms energy: -241.966930
where:
bonds (distance) C4'-P energy: -76.319
bonds (distance) P-C4' energy: -77.094
flat angles C4'-P-C4' energy: -49.848
flat angles P-C4'-P energy: -31.702
tors. eta vs tors. theta energy: -7.004
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: 109
Temperature: 1.350000
Total energy: -337.685657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.685657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.685657 (E_RNA)
where:
Base-Base interactions energy: -96.784
where: short stacking energy: -93.531
Base-Backbone interact. energy: 4.018
local terms energy: -244.919492
where:
bonds (distance) C4'-P energy: -81.313
bonds (distance) P-C4' energy: -72.144
flat angles C4'-P-C4' energy: -58.853
flat angles P-C4'-P energy: -45.201
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: 1, replica: 1
=====================================
Write number: 110
Temperature: 0.900000
Total energy: -1220.420410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1220.420410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1220.420410 (E_RNA)
where:
Base-Base interactions energy: -754.498
where: short stacking energy: -397.829
Base-Backbone interact. energy: -3.738
local terms energy: -462.184173
where:
bonds (distance) C4'-P energy: -101.130
bonds (distance) P-C4' energy: -93.308
flat angles C4'-P-C4' energy: -99.860
flat angles P-C4'-P energy: -56.592
tors. eta vs tors. theta energy: -111.294
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 110
Temperature: 0.950000
Total energy: -1064.555768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1064.555768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1064.555768 (E_RNA)
where:
Base-Base interactions energy: -633.488
where: short stacking energy: -359.997
Base-Backbone interact. energy: -1.302
local terms energy: -429.766137
where:
bonds (distance) C4'-P energy: -89.634
bonds (distance) P-C4' energy: -86.898
flat angles C4'-P-C4' energy: -99.080
flat angles P-C4'-P energy: -59.062
tors. eta vs tors. theta energy: -95.092
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 110
Temperature: 1.000000
Total energy: -868.447481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -868.447481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -868.447481 (E_RNA)
where:
Base-Base interactions energy: -472.601
where: short stacking energy: -306.415
Base-Backbone interact. energy: 0.555
local terms energy: -396.401866
where:
bonds (distance) C4'-P energy: -91.738
bonds (distance) P-C4' energy: -89.707
flat angles C4'-P-C4' energy: -91.107
flat angles P-C4'-P energy: -46.906
tors. eta vs tors. theta energy: -76.944
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 110
Temperature: 1.050000
Total energy: -754.014346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -754.014346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -754.014346 (E_RNA)
where:
Base-Base interactions energy: -372.793
where: short stacking energy: -263.791
Base-Backbone interact. energy: -1.308
local terms energy: -379.914078
where:
bonds (distance) C4'-P energy: -86.803
bonds (distance) P-C4' energy: -82.673
flat angles C4'-P-C4' energy: -85.323
flat angles P-C4'-P energy: -61.782
tors. eta vs tors. theta energy: -63.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 110
Temperature: 1.100000
Total energy: -686.891066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -686.891066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -686.891066 (E_RNA)
where:
Base-Base interactions energy: -331.584
where: short stacking energy: -229.996
Base-Backbone interact. energy: 2.911
local terms energy: -358.218042
where:
bonds (distance) C4'-P energy: -99.414
bonds (distance) P-C4' energy: -81.931
flat angles C4'-P-C4' energy: -77.635
flat angles P-C4'-P energy: -55.816
tors. eta vs tors. theta energy: -43.421
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: 5
=====================================
Write number: 110
Temperature: 1.150000
Total energy: -563.772335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -563.772335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -563.772335 (E_RNA)
where:
Base-Base interactions energy: -260.416
where: short stacking energy: -197.234
Base-Backbone interact. energy: 1.550
local terms energy: -304.905583
where:
bonds (distance) C4'-P energy: -65.758
bonds (distance) P-C4' energy: -85.044
flat angles C4'-P-C4' energy: -76.346
flat angles P-C4'-P energy: -46.625
tors. eta vs tors. theta energy: -31.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 110
Temperature: 1.200000
Total energy: -479.653445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.653445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -479.653445 (E_RNA)
where:
Base-Base interactions energy: -205.301
where: short stacking energy: -129.475
Base-Backbone interact. energy: -1.327
local terms energy: -273.025143
where:
bonds (distance) C4'-P energy: -87.749
bonds (distance) P-C4' energy: -72.577
flat angles C4'-P-C4' energy: -71.473
flat angles P-C4'-P energy: -36.537
tors. eta vs tors. theta energy: -4.689
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 110
Temperature: 1.250000
Total energy: -421.528491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.528491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -421.528491 (E_RNA)
where:
Base-Base interactions energy: -131.947
where: short stacking energy: -116.848
Base-Backbone interact. energy: 0.141
local terms energy: -289.722219
where:
bonds (distance) C4'-P energy: -74.135
bonds (distance) P-C4' energy: -90.239
flat angles C4'-P-C4' energy: -73.630
flat angles P-C4'-P energy: -53.440
tors. eta vs tors. theta energy: 1.722
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: 10
=====================================
Write number: 110
Temperature: 1.300000
Total energy: -398.938542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -398.938542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -398.938542 (E_RNA)
where:
Base-Base interactions energy: -135.089
where: short stacking energy: -118.535
Base-Backbone interact. energy: 2.862
local terms energy: -266.711217
where:
bonds (distance) C4'-P energy: -84.588
bonds (distance) P-C4' energy: -87.656
flat angles C4'-P-C4' energy: -69.120
flat angles P-C4'-P energy: -36.231
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: 110
Temperature: 1.350000
Total energy: -385.618365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -385.618365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -385.618365 (E_RNA)
where:
Base-Base interactions energy: -124.906
where: short stacking energy: -115.141
Base-Backbone interact. energy: 0.162
local terms energy: -260.874289
where:
bonds (distance) C4'-P energy: -64.648
bonds (distance) P-C4' energy: -81.399
flat angles C4'-P-C4' energy: -77.963
flat angles P-C4'-P energy: -41.210
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: 1, replica: 1
=====================================
Write number: 111
Temperature: 0.900000
Total energy: -1154.328239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1154.328239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1154.328239 (E_RNA)
where:
Base-Base interactions energy: -695.618
where: short stacking energy: -392.432
Base-Backbone interact. energy: -2.533
local terms energy: -456.176933
where:
bonds (distance) C4'-P energy: -82.217
bonds (distance) P-C4' energy: -90.700
flat angles C4'-P-C4' energy: -98.588
flat angles P-C4'-P energy: -70.920
tors. eta vs tors. theta energy: -113.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 111
Temperature: 0.950000
Total energy: -1028.206825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1028.206825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1028.206825 (E_RNA)
where:
Base-Base interactions energy: -587.379
where: short stacking energy: -340.032
Base-Backbone interact. energy: -1.312
local terms energy: -439.515608
where:
bonds (distance) C4'-P energy: -96.778
bonds (distance) P-C4' energy: -88.132
flat angles C4'-P-C4' energy: -108.931
flat angles P-C4'-P energy: -54.378
tors. eta vs tors. theta energy: -91.296
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: 3, replica: 2
=====================================
Write number: 111
Temperature: 1.000000
Total energy: -878.752312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -878.752312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -878.752312 (E_RNA)
where:
Base-Base interactions energy: -485.128
where: short stacking energy: -311.710
Base-Backbone interact. energy: -0.667
local terms energy: -392.957637
where:
bonds (distance) C4'-P energy: -80.235
bonds (distance) P-C4' energy: -88.098
flat angles C4'-P-C4' energy: -91.845
flat angles P-C4'-P energy: -63.889
tors. eta vs tors. theta energy: -68.890
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 111
Temperature: 1.050000
Total energy: -743.337853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -743.337853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -743.337853 (E_RNA)
where:
Base-Base interactions energy: -368.003
where: short stacking energy: -256.682
Base-Backbone interact. energy: 1.536
local terms energy: -376.871209
where:
bonds (distance) C4'-P energy: -88.329
bonds (distance) P-C4' energy: -84.003
flat angles C4'-P-C4' energy: -80.854
flat angles P-C4'-P energy: -70.656
tors. eta vs tors. theta energy: -53.030
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: 111
Temperature: 1.100000
Total energy: -707.032645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -707.032645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -707.032645 (E_RNA)
where:
Base-Base interactions energy: -359.869
where: short stacking energy: -254.695
Base-Backbone interact. energy: -2.056
local terms energy: -345.107871
where:
bonds (distance) C4'-P energy: -76.951
bonds (distance) P-C4' energy: -83.805
flat angles C4'-P-C4' energy: -73.036
flat angles P-C4'-P energy: -55.604
tors. eta vs tors. theta energy: -55.711
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 111
Temperature: 1.150000
Total energy: -571.017422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -571.017422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -571.017422 (E_RNA)
where:
Base-Base interactions energy: -252.474
where: short stacking energy: -189.858
Base-Backbone interact. energy: 0.814
local terms energy: -319.357950
where:
bonds (distance) C4'-P energy: -87.217
bonds (distance) P-C4' energy: -89.015
flat angles C4'-P-C4' energy: -74.358
flat angles P-C4'-P energy: -38.786
tors. eta vs tors. theta energy: -29.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 111
Temperature: 1.200000
Total energy: -488.813568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.813568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.813568 (E_RNA)
where:
Base-Base interactions energy: -208.506
where: short stacking energy: -151.094
Base-Backbone interact. energy: 0.632
local terms energy: -280.939715
where:
bonds (distance) C4'-P energy: -79.671
bonds (distance) P-C4' energy: -83.547
flat angles C4'-P-C4' energy: -58.541
flat angles P-C4'-P energy: -49.435
tors. eta vs tors. theta energy: -9.746
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 111
Temperature: 1.250000
Total energy: -430.775282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -430.775282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -430.775282 (E_RNA)
where:
Base-Base interactions energy: -167.011
where: short stacking energy: -122.418
Base-Backbone interact. energy: 2.783
local terms energy: -266.546786
where:
bonds (distance) C4'-P energy: -65.723
bonds (distance) P-C4' energy: -83.344
flat angles C4'-P-C4' energy: -79.947
flat angles P-C4'-P energy: -35.126
tors. eta vs tors. theta energy: -2.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 111
Temperature: 1.300000
Total energy: -380.692431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -380.692431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -380.692431 (E_RNA)
where:
Base-Base interactions energy: -119.553
where: short stacking energy: -107.567
Base-Backbone interact. energy: -0.213
local terms energy: -260.926708
where:
bonds (distance) C4'-P energy: -76.171
bonds (distance) P-C4' energy: -71.614
flat angles C4'-P-C4' energy: -81.211
flat angles P-C4'-P energy: -46.779
tors. eta vs tors. theta energy: 14.848
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: 10, replica: 8
=====================================
Write number: 111
Temperature: 1.350000
Total energy: -355.110529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.110529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.110529 (E_RNA)
where:
Base-Base interactions energy: -115.015
where: short stacking energy: -99.677
Base-Backbone interact. energy: 0.980
local terms energy: -241.075981
where:
bonds (distance) C4'-P energy: -78.657
bonds (distance) P-C4' energy: -72.545
flat angles C4'-P-C4' energy: -50.266
flat angles P-C4'-P energy: -42.832
tors. eta vs tors. theta energy: 3.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 112
Temperature: 0.900000
Total energy: -1201.615807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1201.615807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1201.615807 (E_RNA)
where:
Base-Base interactions energy: -734.247
where: short stacking energy: -404.440
Base-Backbone interact. energy: -2.576
local terms energy: -464.793226
where:
bonds (distance) C4'-P energy: -94.547
bonds (distance) P-C4' energy: -103.414
flat angles C4'-P-C4' energy: -95.754
flat angles P-C4'-P energy: -54.782
tors. eta vs tors. theta energy: -116.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 112
Temperature: 0.950000
Total energy: -1026.325218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1026.325218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1026.325218 (E_RNA)
where:
Base-Base interactions energy: -598.736
where: short stacking energy: -376.492
Base-Backbone interact. energy: -0.618
local terms energy: -426.971174
where:
bonds (distance) C4'-P energy: -81.343
bonds (distance) P-C4' energy: -87.409
flat angles C4'-P-C4' energy: -92.649
flat angles P-C4'-P energy: -64.861
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: 2
=====================================
Write number: 112
Temperature: 1.000000
Total energy: -917.838194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -917.838194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -917.838194 (E_RNA)
where:
Base-Base interactions energy: -526.114
where: short stacking energy: -315.873
Base-Backbone interact. energy: -1.485
local terms energy: -390.239149
where:
bonds (distance) C4'-P energy: -87.273
bonds (distance) P-C4' energy: -103.673
flat angles C4'-P-C4' energy: -77.727
flat angles P-C4'-P energy: -52.167
tors. eta vs tors. theta energy: -69.399
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: 7
=====================================
Write number: 112
Temperature: 1.050000
Total energy: -718.975838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -718.975838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -718.975838 (E_RNA)
where:
Base-Base interactions energy: -368.062
where: short stacking energy: -249.384
Base-Backbone interact. energy: -1.338
local terms energy: -349.576178
where:
bonds (distance) C4'-P energy: -92.267
bonds (distance) P-C4' energy: -68.626
flat angles C4'-P-C4' energy: -82.374
flat angles P-C4'-P energy: -55.152
tors. eta vs tors. theta energy: -51.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 112
Temperature: 1.100000
Total energy: -726.091208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -726.091208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -726.091208 (E_RNA)
where:
Base-Base interactions energy: -393.615
where: short stacking energy: -259.755
Base-Backbone interact. energy: 0.701
local terms energy: -333.177238
where:
bonds (distance) C4'-P energy: -81.064
bonds (distance) P-C4' energy: -81.310
flat angles C4'-P-C4' energy: -80.937
flat angles P-C4'-P energy: -30.945
tors. eta vs tors. theta energy: -58.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 112
Temperature: 1.150000
Total energy: -477.870469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -477.870469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -477.870469 (E_RNA)
where:
Base-Base interactions energy: -172.597
where: short stacking energy: -153.241
Base-Backbone interact. energy: 0.604
local terms energy: -305.877794
where:
bonds (distance) C4'-P energy: -84.212
bonds (distance) P-C4' energy: -80.184
flat angles C4'-P-C4' energy: -75.158
flat angles P-C4'-P energy: -48.773
tors. eta vs tors. theta energy: -17.552
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: 3
=====================================
Write number: 112
Temperature: 1.200000
Total energy: -472.698230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -472.698230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.698230 (E_RNA)
where:
Base-Base interactions energy: -173.104
where: short stacking energy: -148.758
Base-Backbone interact. energy: -0.164
local terms energy: -299.430403
where:
bonds (distance) C4'-P energy: -89.892
bonds (distance) P-C4' energy: -81.497
flat angles C4'-P-C4' energy: -77.953
flat angles P-C4'-P energy: -46.853
tors. eta vs tors. theta energy: -3.236
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: 112
Temperature: 1.250000
Total energy: -416.002593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.002593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.002593 (E_RNA)
where:
Base-Base interactions energy: -143.742
where: short stacking energy: -127.698
Base-Backbone interact. energy: -0.486
local terms energy: -271.774176
where:
bonds (distance) C4'-P energy: -63.684
bonds (distance) P-C4' energy: -85.446
flat angles C4'-P-C4' energy: -81.410
flat angles P-C4'-P energy: -41.156
tors. eta vs tors. theta energy: -0.078
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 112
Temperature: 1.300000
Total energy: -387.961646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -387.961646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -387.961646 (E_RNA)
where:
Base-Base interactions energy: -118.223
where: short stacking energy: -71.254
Base-Backbone interact. energy: -0.018
local terms energy: -269.720392
where:
bonds (distance) C4'-P energy: -83.513
bonds (distance) P-C4' energy: -88.691
flat angles C4'-P-C4' energy: -73.438
flat angles P-C4'-P energy: -51.641
tors. eta vs tors. theta energy: 27.562
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 112
Temperature: 1.350000
Total energy: -342.449113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.449113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.449113 (E_RNA)
where:
Base-Base interactions energy: -123.237
where: short stacking energy: -106.889
Base-Backbone interact. energy: -1.806
local terms energy: -217.406972
where:
bonds (distance) C4'-P energy: -49.124
bonds (distance) P-C4' energy: -68.856
flat angles C4'-P-C4' energy: -72.088
flat angles P-C4'-P energy: -45.551
tors. eta vs tors. theta energy: 18.212
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 113
Temperature: 0.900000
Total energy: -1165.751987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1165.751987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1165.751987 (E_RNA)
where:
Base-Base interactions energy: -720.338
where: short stacking energy: -371.357
Base-Backbone interact. energy: -2.862
local terms energy: -442.551785
where:
bonds (distance) C4'-P energy: -96.851
bonds (distance) P-C4' energy: -88.548
flat angles C4'-P-C4' energy: -98.362
flat angles P-C4'-P energy: -64.564
tors. eta vs tors. theta energy: -94.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 113
Temperature: 0.950000
Total energy: -1051.173040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1051.173040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1051.173040 (E_RNA)
where:
Base-Base interactions energy: -601.671
where: short stacking energy: -359.348
Base-Backbone interact. energy: -2.034
local terms energy: -447.468378
where:
bonds (distance) C4'-P energy: -95.185
bonds (distance) P-C4' energy: -88.634
flat angles C4'-P-C4' energy: -92.257
flat angles P-C4'-P energy: -72.987
tors. eta vs tors. theta energy: -98.405
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 113
Temperature: 1.000000
Total energy: -975.153278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -975.153278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -975.153278 (E_RNA)
where:
Base-Base interactions energy: -544.208
where: short stacking energy: -329.904
Base-Backbone interact. energy: -0.902
local terms energy: -430.043522
where:
bonds (distance) C4'-P energy: -84.306
bonds (distance) P-C4' energy: -102.106
flat angles C4'-P-C4' energy: -100.160
flat angles P-C4'-P energy: -48.610
tors. eta vs tors. theta energy: -94.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 113
Temperature: 1.050000
Total energy: -761.899381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -761.899381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -761.899381 (E_RNA)
where:
Base-Base interactions energy: -390.389
where: short stacking energy: -252.845
Base-Backbone interact. energy: -1.720
local terms energy: -369.790327
where:
bonds (distance) C4'-P energy: -84.139
bonds (distance) P-C4' energy: -84.525
flat angles C4'-P-C4' energy: -90.520
flat angles P-C4'-P energy: -51.498
tors. eta vs tors. theta energy: -59.108
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 113
Temperature: 1.100000
Total energy: -685.228625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -685.228625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -685.228625 (E_RNA)
where:
Base-Base interactions energy: -329.852
where: short stacking energy: -236.563
Base-Backbone interact. energy: -1.107
local terms energy: -354.269300
where:
bonds (distance) C4'-P energy: -91.036
bonds (distance) P-C4' energy: -85.830
flat angles C4'-P-C4' energy: -85.554
flat angles P-C4'-P energy: -49.552
tors. eta vs tors. theta energy: -42.298
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 113
Temperature: 1.150000
Total energy: -498.400590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.400590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.400590 (E_RNA)
where:
Base-Base interactions energy: -196.302
where: short stacking energy: -185.220
Base-Backbone interact. energy: 3.024
local terms energy: -305.122432
where:
bonds (distance) C4'-P energy: -73.331
bonds (distance) P-C4' energy: -84.665
flat angles C4'-P-C4' energy: -70.914
flat angles P-C4'-P energy: -43.599
tors. eta vs tors. theta energy: -32.613
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: 5
=====================================
Write number: 113
Temperature: 1.200000
Total energy: -497.800227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.800227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.800227 (E_RNA)
where:
Base-Base interactions energy: -198.366
where: short stacking energy: -167.929
Base-Backbone interact. energy: 0.620
local terms energy: -300.053938
where:
bonds (distance) C4'-P energy: -75.393
bonds (distance) P-C4' energy: -75.639
flat angles C4'-P-C4' energy: -83.087
flat angles P-C4'-P energy: -43.464
tors. eta vs tors. theta energy: -22.471
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: 113
Temperature: 1.250000
Total energy: -426.776450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -426.776450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -426.776450 (E_RNA)
where:
Base-Base interactions energy: -152.368
where: short stacking energy: -109.473
Base-Backbone interact. energy: -1.963
local terms energy: -272.445090
where:
bonds (distance) C4'-P energy: -76.112
bonds (distance) P-C4' energy: -64.646
flat angles C4'-P-C4' energy: -79.351
flat angles P-C4'-P energy: -55.295
tors. eta vs tors. theta energy: 2.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 113
Temperature: 1.300000
Total energy: -381.765502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -381.765502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -381.765502 (E_RNA)
where:
Base-Base interactions energy: -136.398
where: short stacking energy: -117.769
Base-Backbone interact. energy: 1.350
local terms energy: -246.718258
where:
bonds (distance) C4'-P energy: -65.696
bonds (distance) P-C4' energy: -72.474
flat angles C4'-P-C4' energy: -71.458
flat angles P-C4'-P energy: -35.624
tors. eta vs tors. theta energy: -1.466
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 113
Temperature: 1.350000
Total energy: -354.334322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.334322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.334322 (E_RNA)
where:
Base-Base interactions energy: -100.722
where: short stacking energy: -90.952
Base-Backbone interact. energy: 0.869
local terms energy: -254.480792
where:
bonds (distance) C4'-P energy: -77.140
bonds (distance) P-C4' energy: -88.743
flat angles C4'-P-C4' energy: -50.108
flat angles P-C4'-P energy: -41.581
tors. eta vs tors. theta energy: 3.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 114
Temperature: 0.900000
Total energy: -1206.451152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1206.451152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1206.451152 (E_RNA)
where:
Base-Base interactions energy: -727.119
where: short stacking energy: -411.323
Base-Backbone interact. energy: -4.050
local terms energy: -475.281688
where:
bonds (distance) C4'-P energy: -100.931
bonds (distance) P-C4' energy: -92.064
flat angles C4'-P-C4' energy: -99.791
flat angles P-C4'-P energy: -80.244
tors. eta vs tors. theta energy: -102.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 114
Temperature: 0.950000
Total energy: -1099.409003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1099.409003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1099.409003 (E_RNA)
where:
Base-Base interactions energy: -657.276
where: short stacking energy: -389.289
Base-Backbone interact. energy: -1.319
local terms energy: -440.813355
where:
bonds (distance) C4'-P energy: -87.057
bonds (distance) P-C4' energy: -103.380
flat angles C4'-P-C4' energy: -92.121
flat angles P-C4'-P energy: -56.946
tors. eta vs tors. theta energy: -101.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 114
Temperature: 1.000000
Total energy: -984.186130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -984.186130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -984.186130 (E_RNA)
where:
Base-Base interactions energy: -552.426
where: short stacking energy: -343.508
Base-Backbone interact. energy: -0.460
local terms energy: -431.300629
where:
bonds (distance) C4'-P energy: -79.444
bonds (distance) P-C4' energy: -88.298
flat angles C4'-P-C4' energy: -101.466
flat angles P-C4'-P energy: -63.824
tors. eta vs tors. theta energy: -98.269
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: 6
=====================================
Write number: 114
Temperature: 1.050000
Total energy: -771.834756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -771.834756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -771.834756 (E_RNA)
where:
Base-Base interactions energy: -400.559
where: short stacking energy: -254.077
Base-Backbone interact. energy: -2.927
local terms energy: -368.349144
where:
bonds (distance) C4'-P energy: -76.292
bonds (distance) P-C4' energy: -96.925
flat angles C4'-P-C4' energy: -89.586
flat angles P-C4'-P energy: -54.859
tors. eta vs tors. theta energy: -50.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 114
Temperature: 1.100000
Total energy: -649.591812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -649.591812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -649.591812 (E_RNA)
where:
Base-Base interactions energy: -312.848
where: short stacking energy: -224.471
Base-Backbone interact. energy: 0.696
local terms energy: -337.439641
where:
bonds (distance) C4'-P energy: -77.445
bonds (distance) P-C4' energy: -88.029
flat angles C4'-P-C4' energy: -83.607
flat angles P-C4'-P energy: -49.914
tors. eta vs tors. theta energy: -38.445
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 114
Temperature: 1.150000
Total energy: -508.529210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -508.529210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.529210 (E_RNA)
where:
Base-Base interactions energy: -190.471
where: short stacking energy: -175.414
Base-Backbone interact. energy: 0.465
local terms energy: -318.523317
where:
bonds (distance) C4'-P energy: -82.198
bonds (distance) P-C4' energy: -98.809
flat angles C4'-P-C4' energy: -61.544
flat angles P-C4'-P energy: -48.559
tors. eta vs tors. theta energy: -27.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 114
Temperature: 1.200000
Total energy: -475.968187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -475.968187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -475.968187 (E_RNA)
where:
Base-Base interactions energy: -178.466
where: short stacking energy: -146.579
Base-Backbone interact. energy: 0.214
local terms energy: -297.716723
where:
bonds (distance) C4'-P energy: -87.798
bonds (distance) P-C4' energy: -80.931
flat angles C4'-P-C4' energy: -67.310
flat angles P-C4'-P energy: -52.076
tors. eta vs tors. theta energy: -9.601
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: 10
=====================================
Write number: 114
Temperature: 1.250000
Total energy: -470.786712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -470.786712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -470.786712 (E_RNA)
where:
Base-Base interactions energy: -207.411
where: short stacking energy: -124.002
Base-Backbone interact. energy: 5.217
local terms energy: -268.593617
where:
bonds (distance) C4'-P energy: -78.968
bonds (distance) P-C4' energy: -84.984
flat angles C4'-P-C4' energy: -56.958
flat angles P-C4'-P energy: -49.005
tors. eta vs tors. theta energy: 1.322
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 114
Temperature: 1.300000
Total energy: -387.656022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -387.656022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -387.656022 (E_RNA)
where:
Base-Base interactions energy: -121.652
where: short stacking energy: -100.064
Base-Backbone interact. energy: -0.702
local terms energy: -265.302144
where:
bonds (distance) C4'-P energy: -74.730
bonds (distance) P-C4' energy: -83.531
flat angles C4'-P-C4' energy: -69.855
flat angles P-C4'-P energy: -41.595
tors. eta vs tors. theta energy: 4.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 114
Temperature: 1.350000
Total energy: -354.779018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.779018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.779018 (E_RNA)
where:
Base-Base interactions energy: -117.654
where: short stacking energy: -104.348
Base-Backbone interact. energy: -2.097
local terms energy: -235.028430
where:
bonds (distance) C4'-P energy: -59.881
bonds (distance) P-C4' energy: -79.575
flat angles C4'-P-C4' energy: -68.433
flat angles P-C4'-P energy: -28.231
tors. eta vs tors. theta energy: 1.092
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 115
Temperature: 0.900000
Total energy: -1208.921007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1208.921007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1208.921007 (E_RNA)
where:
Base-Base interactions energy: -731.526
where: short stacking energy: -395.978
Base-Backbone interact. energy: -4.537
local terms energy: -472.858623
where:
bonds (distance) C4'-P energy: -96.356
bonds (distance) P-C4' energy: -95.970
flat angles C4'-P-C4' energy: -101.096
flat angles P-C4'-P energy: -72.601
tors. eta vs tors. theta energy: -106.836
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 115
Temperature: 0.950000
Total energy: -1080.289993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1080.289993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1080.289993 (E_RNA)
where:
Base-Base interactions energy: -625.028
where: short stacking energy: -352.782
Base-Backbone interact. energy: -0.365
local terms energy: -454.896634
where:
bonds (distance) C4'-P energy: -87.177
bonds (distance) P-C4' energy: -98.308
flat angles C4'-P-C4' energy: -105.172
flat angles P-C4'-P energy: -61.443
tors. eta vs tors. theta energy: -102.796
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 115
Temperature: 1.000000
Total energy: -927.415135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -927.415135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -927.415135 (E_RNA)
where:
Base-Base interactions energy: -513.052
where: short stacking energy: -323.640
Base-Backbone interact. energy: 1.677
local terms energy: -416.040088
where:
bonds (distance) C4'-P energy: -93.742
bonds (distance) P-C4' energy: -80.031
flat angles C4'-P-C4' energy: -100.547
flat angles P-C4'-P energy: -63.809
tors. eta vs tors. theta energy: -77.911
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 115
Temperature: 1.050000
Total energy: -779.030119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -779.030119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -779.030119 (E_RNA)
where:
Base-Base interactions energy: -401.428
where: short stacking energy: -269.919
Base-Backbone interact. energy: -2.616
local terms energy: -374.987096
where:
bonds (distance) C4'-P energy: -82.628
bonds (distance) P-C4' energy: -96.818
flat angles C4'-P-C4' energy: -90.164
flat angles P-C4'-P energy: -45.310
tors. eta vs tors. theta energy: -60.068
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 115
Temperature: 1.100000
Total energy: -660.657961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -660.657961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -660.657961 (E_RNA)
where:
Base-Base interactions energy: -315.474
where: short stacking energy: -225.372
Base-Backbone interact. energy: 2.402
local terms energy: -347.585835
where:
bonds (distance) C4'-P energy: -79.340
bonds (distance) P-C4' energy: -93.227
flat angles C4'-P-C4' energy: -74.618
flat angles P-C4'-P energy: -57.951
tors. eta vs tors. theta energy: -42.450
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: 115
Temperature: 1.150000
Total energy: -492.052845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.052845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.052845 (E_RNA)
where:
Base-Base interactions energy: -178.145
where: short stacking energy: -145.902
Base-Backbone interact. energy: 1.056
local terms energy: -314.964104
where:
bonds (distance) C4'-P energy: -89.199
bonds (distance) P-C4' energy: -76.531
flat angles C4'-P-C4' energy: -66.004
flat angles P-C4'-P energy: -58.756
tors. eta vs tors. theta energy: -24.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 115
Temperature: 1.200000
Total energy: -469.226182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -469.226182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -469.226182 (E_RNA)
where:
Base-Base interactions energy: -175.890
where: short stacking energy: -154.792
Base-Backbone interact. energy: -1.090
local terms energy: -292.245966
where:
bonds (distance) C4'-P energy: -80.704
bonds (distance) P-C4' energy: -97.777
flat angles C4'-P-C4' energy: -63.546
flat angles P-C4'-P energy: -35.838
tors. eta vs tors. theta energy: -14.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 115
Temperature: 1.250000
Total energy: -422.154495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -422.154495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -422.154495 (E_RNA)
where:
Base-Base interactions energy: -146.927
where: short stacking energy: -132.276
Base-Backbone interact. energy: -1.978
local terms energy: -273.250278
where:
bonds (distance) C4'-P energy: -78.010
bonds (distance) P-C4' energy: -78.342
flat angles C4'-P-C4' energy: -74.316
flat angles P-C4'-P energy: -44.071
tors. eta vs tors. theta energy: 1.490
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: 115
Temperature: 1.300000
Total energy: -382.675805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -382.675805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -382.675805 (E_RNA)
where:
Base-Base interactions energy: -129.307
where: short stacking energy: -114.692
Base-Backbone interact. energy: 3.833
local terms energy: -257.200912
where:
bonds (distance) C4'-P energy: -71.179
bonds (distance) P-C4' energy: -88.449
flat angles C4'-P-C4' energy: -59.614
flat angles P-C4'-P energy: -40.555
tors. eta vs tors. theta energy: 2.597
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 115
Temperature: 1.350000
Total energy: -343.977519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.977519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.977519 (E_RNA)
where:
Base-Base interactions energy: -116.657
where: short stacking energy: -101.049
Base-Backbone interact. energy: -0.687
local terms energy: -226.634176
where:
bonds (distance) C4'-P energy: -64.619
bonds (distance) P-C4' energy: -82.496
flat angles C4'-P-C4' energy: -62.028
flat angles P-C4'-P energy: -39.719
tors. eta vs tors. theta energy: 22.228
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: 1
=====================================
Write number: 116
Temperature: 0.900000
Total energy: -1259.314139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1259.314139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1259.314139 (E_RNA)
where:
Base-Base interactions energy: -767.134
where: short stacking energy: -422.694
Base-Backbone interact. energy: -1.446
local terms energy: -490.734230
where:
bonds (distance) C4'-P energy: -88.193
bonds (distance) P-C4' energy: -92.356
flat angles C4'-P-C4' energy: -112.382
flat angles P-C4'-P energy: -71.101
tors. eta vs tors. theta energy: -126.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 116
Temperature: 0.950000
Total energy: -1091.546595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1091.546595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1091.546595 (E_RNA)
where:
Base-Base interactions energy: -648.906
where: short stacking energy: -382.788
Base-Backbone interact. energy: -0.383
local terms energy: -442.257403
where:
bonds (distance) C4'-P energy: -82.128
bonds (distance) P-C4' energy: -84.081
flat angles C4'-P-C4' energy: -97.516
flat angles P-C4'-P energy: -64.566
tors. eta vs tors. theta energy: -113.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 116
Temperature: 1.000000
Total energy: -933.600283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -933.600283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -933.600283 (E_RNA)
where:
Base-Base interactions energy: -535.148
where: short stacking energy: -320.904
Base-Backbone interact. energy: -1.155
local terms energy: -397.297965
where:
bonds (distance) C4'-P energy: -89.278
bonds (distance) P-C4' energy: -95.058
flat angles C4'-P-C4' energy: -87.009
flat angles P-C4'-P energy: -47.797
tors. eta vs tors. theta energy: -78.155
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: 6
=====================================
Write number: 116
Temperature: 1.050000
Total energy: -721.015759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -721.015759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -721.015759 (E_RNA)
where:
Base-Base interactions energy: -353.883
where: short stacking energy: -241.065
Base-Backbone interact. energy: 0.024
local terms energy: -367.156767
where:
bonds (distance) C4'-P energy: -85.529
bonds (distance) P-C4' energy: -91.061
flat angles C4'-P-C4' energy: -90.357
flat angles P-C4'-P energy: -63.125
tors. eta vs tors. theta energy: -37.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 116
Temperature: 1.100000
Total energy: -684.949947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -684.949947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -684.949947 (E_RNA)
where:
Base-Base interactions energy: -343.669
where: short stacking energy: -206.500
Base-Backbone interact. energy: 7.214
local terms energy: -348.494833
where:
bonds (distance) C4'-P energy: -88.314
bonds (distance) P-C4' energy: -88.914
flat angles C4'-P-C4' energy: -84.755
flat angles P-C4'-P energy: -53.396
tors. eta vs tors. theta energy: -33.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 116
Temperature: 1.150000
Total energy: -532.164614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.164614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.164614 (E_RNA)
where:
Base-Base interactions energy: -218.056
where: short stacking energy: -185.380
Base-Backbone interact. energy: 2.919
local terms energy: -317.027929
where:
bonds (distance) C4'-P energy: -81.772
bonds (distance) P-C4' energy: -84.805
flat angles C4'-P-C4' energy: -69.570
flat angles P-C4'-P energy: -54.635
tors. eta vs tors. theta energy: -26.246
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 116
Temperature: 1.200000
Total energy: -466.250100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -466.250100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -466.250100 (E_RNA)
where:
Base-Base interactions energy: -172.935
where: short stacking energy: -160.943
Base-Backbone interact. energy: -1.622
local terms energy: -291.693243
where:
bonds (distance) C4'-P energy: -83.278
bonds (distance) P-C4' energy: -77.015
flat angles C4'-P-C4' energy: -77.909
flat angles P-C4'-P energy: -31.440
tors. eta vs tors. theta energy: -22.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 116
Temperature: 1.250000
Total energy: -435.406714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -435.406714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -435.406714 (E_RNA)
where:
Base-Base interactions energy: -172.269
where: short stacking energy: -131.226
Base-Backbone interact. energy: 4.806
local terms energy: -267.943923
where:
bonds (distance) C4'-P energy: -82.200
bonds (distance) P-C4' energy: -79.218
flat angles C4'-P-C4' energy: -63.083
flat angles P-C4'-P energy: -51.850
tors. eta vs tors. theta energy: 8.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 116
Temperature: 1.300000
Total energy: -376.469812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -376.469812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -376.469812 (E_RNA)
where:
Base-Base interactions energy: -116.978
where: short stacking energy: -87.135
Base-Backbone interact. energy: 3.725
local terms energy: -263.215871
where:
bonds (distance) C4'-P energy: -78.003
bonds (distance) P-C4' energy: -80.313
flat angles C4'-P-C4' energy: -66.139
flat angles P-C4'-P energy: -48.040
tors. eta vs tors. theta energy: 9.279
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: 10
=====================================
Write number: 116
Temperature: 1.350000
Total energy: -345.719037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.719037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.719037 (E_RNA)
where:
Base-Base interactions energy: -106.555
where: short stacking energy: -99.023
Base-Backbone interact. energy: -1.209
local terms energy: -237.954239
where:
bonds (distance) C4'-P energy: -49.966
bonds (distance) P-C4' energy: -76.491
flat angles C4'-P-C4' energy: -71.801
flat angles P-C4'-P energy: -37.686
tors. eta vs tors. theta energy: -2.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 117
Temperature: 0.900000
Total energy: -1232.358912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1232.358912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1232.358912 (E_RNA)
where:
Base-Base interactions energy: -730.177
where: short stacking energy: -402.494
Base-Backbone interact. energy: -3.389
local terms energy: -498.793071
where:
bonds (distance) C4'-P energy: -95.038
bonds (distance) P-C4' energy: -96.198
flat angles C4'-P-C4' energy: -105.021
flat angles P-C4'-P energy: -73.085
tors. eta vs tors. theta energy: -129.452
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: 4
=====================================
Write number: 117
Temperature: 0.950000
Total energy: -1088.161307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1088.161307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1088.161307 (E_RNA)
where:
Base-Base interactions energy: -638.255
where: short stacking energy: -379.952
Base-Backbone interact. energy: -0.771
local terms energy: -449.135630
where:
bonds (distance) C4'-P energy: -90.455
bonds (distance) P-C4' energy: -91.567
flat angles C4'-P-C4' energy: -95.927
flat angles P-C4'-P energy: -62.829
tors. eta vs tors. theta energy: -108.358
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 117
Temperature: 1.000000
Total energy: -905.156740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -905.156740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -905.156740 (E_RNA)
where:
Base-Base interactions energy: -502.484
where: short stacking energy: -319.176
Base-Backbone interact. energy: 0.177
local terms energy: -402.849872
where:
bonds (distance) C4'-P energy: -86.075
bonds (distance) P-C4' energy: -79.149
flat angles C4'-P-C4' energy: -91.468
flat angles P-C4'-P energy: -64.463
tors. eta vs tors. theta energy: -81.694
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 117
Temperature: 1.050000
Total energy: -717.747013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -717.747013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -717.747013 (E_RNA)
where:
Base-Base interactions energy: -357.898
where: short stacking energy: -228.021
Base-Backbone interact. energy: 1.233
local terms energy: -361.081930
where:
bonds (distance) C4'-P energy: -86.851
bonds (distance) P-C4' energy: -96.745
flat angles C4'-P-C4' energy: -90.930
flat angles P-C4'-P energy: -51.522
tors. eta vs tors. theta energy: -35.034
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: 6
=====================================
Write number: 117
Temperature: 1.100000
Total energy: -695.957383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -695.957383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -695.957383 (E_RNA)
where:
Base-Base interactions energy: -342.165
where: short stacking energy: -234.508
Base-Backbone interact. energy: -1.909
local terms energy: -351.883745
where:
bonds (distance) C4'-P energy: -82.339
bonds (distance) P-C4' energy: -75.842
flat angles C4'-P-C4' energy: -93.330
flat angles P-C4'-P energy: -43.779
tors. eta vs tors. theta energy: -56.594
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: 9
=====================================
Write number: 117
Temperature: 1.150000
Total energy: -497.810917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.810917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.810917 (E_RNA)
where:
Base-Base interactions energy: -197.685
where: short stacking energy: -172.823
Base-Backbone interact. energy: -1.393
local terms energy: -298.733710
where:
bonds (distance) C4'-P energy: -83.208
bonds (distance) P-C4' energy: -83.173
flat angles C4'-P-C4' energy: -81.065
flat angles P-C4'-P energy: -41.566
tors. eta vs tors. theta energy: -9.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 117
Temperature: 1.200000
Total energy: -454.023055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -454.023055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -454.023055 (E_RNA)
where:
Base-Base interactions energy: -162.324
where: short stacking energy: -151.256
Base-Backbone interact. energy: -1.098
local terms energy: -290.601048
where:
bonds (distance) C4'-P energy: -76.861
bonds (distance) P-C4' energy: -85.044
flat angles C4'-P-C4' energy: -71.944
flat angles P-C4'-P energy: -45.521
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: 8, replica: 8
=====================================
Write number: 117
Temperature: 1.250000
Total energy: -418.748940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.748940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.748940 (E_RNA)
where:
Base-Base interactions energy: -121.484
where: short stacking energy: -109.216
Base-Backbone interact. energy: 4.684
local terms energy: -301.949398
where:
bonds (distance) C4'-P energy: -74.097
bonds (distance) P-C4' energy: -99.561
flat angles C4'-P-C4' energy: -79.157
flat angles P-C4'-P energy: -53.976
tors. eta vs tors. theta energy: 4.841
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: 3
=====================================
Write number: 117
Temperature: 1.300000
Total energy: -403.809087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.809087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -403.809087 (E_RNA)
where:
Base-Base interactions energy: -140.383
where: short stacking energy: -131.085
Base-Backbone interact. energy: 2.882
local terms energy: -266.307795
where:
bonds (distance) C4'-P energy: -74.688
bonds (distance) P-C4' energy: -89.606
flat angles C4'-P-C4' energy: -57.923
flat angles P-C4'-P energy: -40.404
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: 10, replica: 10
=====================================
Write number: 117
Temperature: 1.350000
Total energy: -343.893063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.893063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.893063 (E_RNA)
where:
Base-Base interactions energy: -126.499
where: short stacking energy: -116.925
Base-Backbone interact. energy: 1.742
local terms energy: -219.136080
where:
bonds (distance) C4'-P energy: -74.132
bonds (distance) P-C4' energy: -68.843
flat angles C4'-P-C4' energy: -48.446
flat angles P-C4'-P energy: -40.688
tors. eta vs tors. theta energy: 12.973
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: 1
=====================================
Write number: 118
Temperature: 0.900000
Total energy: -1220.958145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1220.958145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1220.958145 (E_RNA)
where:
Base-Base interactions energy: -764.664
where: short stacking energy: -414.356
Base-Backbone interact. energy: -0.783
local terms energy: -455.510934
where:
bonds (distance) C4'-P energy: -91.150
bonds (distance) P-C4' energy: -86.132
flat angles C4'-P-C4' energy: -103.624
flat angles P-C4'-P energy: -61.301
tors. eta vs tors. theta energy: -113.304
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 118
Temperature: 0.950000
Total energy: -1077.073976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1077.073976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1077.073976 (E_RNA)
where:
Base-Base interactions energy: -623.528
where: short stacking energy: -375.037
Base-Backbone interact. energy: -0.754
local terms energy: -452.791694
where:
bonds (distance) C4'-P energy: -92.970
bonds (distance) P-C4' energy: -93.265
flat angles C4'-P-C4' energy: -97.916
flat angles P-C4'-P energy: -55.998
tors. eta vs tors. theta energy: -112.643
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: 2
=====================================
Write number: 118
Temperature: 1.000000
Total energy: -901.789161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -901.789161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -901.789161 (E_RNA)
where:
Base-Base interactions energy: -506.312
where: short stacking energy: -298.204
Base-Backbone interact. energy: -2.271
local terms energy: -393.205515
where:
bonds (distance) C4'-P energy: -83.151
bonds (distance) P-C4' energy: -83.131
flat angles C4'-P-C4' energy: -86.863
flat angles P-C4'-P energy: -62.472
tors. eta vs tors. theta energy: -77.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 118
Temperature: 1.050000
Total energy: -745.537472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -745.537472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -745.537472 (E_RNA)
where:
Base-Base interactions energy: -385.532
where: short stacking energy: -249.511
Base-Backbone interact. energy: 0.653
local terms energy: -360.658141
where:
bonds (distance) C4'-P energy: -80.610
bonds (distance) P-C4' energy: -95.550
flat angles C4'-P-C4' energy: -96.649
flat angles P-C4'-P energy: -51.562
tors. eta vs tors. theta energy: -36.288
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: 118
Temperature: 1.100000
Total energy: -712.064027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -712.064027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -712.064027 (E_RNA)
where:
Base-Base interactions energy: -342.960
where: short stacking energy: -224.802
Base-Backbone interact. energy: -1.268
local terms energy: -367.836015
where:
bonds (distance) C4'-P energy: -85.305
bonds (distance) P-C4' energy: -96.906
flat angles C4'-P-C4' energy: -89.831
flat angles P-C4'-P energy: -51.467
tors. eta vs tors. theta energy: -44.327
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: 9
=====================================
Write number: 118
Temperature: 1.150000
Total energy: -502.074854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.074854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.074854 (E_RNA)
where:
Base-Base interactions energy: -207.178
where: short stacking energy: -140.319
Base-Backbone interact. energy: 1.267
local terms energy: -296.163943
where:
bonds (distance) C4'-P energy: -85.990
bonds (distance) P-C4' energy: -87.007
flat angles C4'-P-C4' energy: -76.222
flat angles P-C4'-P energy: -36.687
tors. eta vs tors. theta energy: -10.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 118
Temperature: 1.200000
Total energy: -436.639870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -436.639870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -436.639870 (E_RNA)
where:
Base-Base interactions energy: -158.343
where: short stacking energy: -124.868
Base-Backbone interact. energy: 1.531
local terms energy: -279.827814
where:
bonds (distance) C4'-P energy: -70.691
bonds (distance) P-C4' energy: -79.814
flat angles C4'-P-C4' energy: -72.232
flat angles P-C4'-P energy: -46.424
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: 8, replica: 8
=====================================
Write number: 118
Temperature: 1.250000
Total energy: -391.299737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.299737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -391.299737 (E_RNA)
where:
Base-Base interactions energy: -135.366
where: short stacking energy: -116.950
Base-Backbone interact. energy: -1.913
local terms energy: -254.021294
where:
bonds (distance) C4'-P energy: -78.471
bonds (distance) P-C4' energy: -85.234
flat angles C4'-P-C4' energy: -55.640
flat angles P-C4'-P energy: -39.870
tors. eta vs tors. theta energy: 5.194
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: 9, replica: 10
=====================================
Write number: 118
Temperature: 1.300000
Total energy: -386.930546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -386.930546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -386.930546 (E_RNA)
where:
Base-Base interactions energy: -110.884
where: short stacking energy: -95.544
Base-Backbone interact. energy: -0.669
local terms energy: -275.377013
where:
bonds (distance) C4'-P energy: -87.516
bonds (distance) P-C4' energy: -98.508
flat angles C4'-P-C4' energy: -60.280
flat angles P-C4'-P energy: -43.815
tors. eta vs tors. theta energy: 14.742
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: 3
=====================================
Write number: 118
Temperature: 1.350000
Total energy: -345.887069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.887069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.887069 (E_RNA)
where:
Base-Base interactions energy: -118.052
where: short stacking energy: -89.548
Base-Backbone interact. energy: -0.669
local terms energy: -227.166227
where:
bonds (distance) C4'-P energy: -66.505
bonds (distance) P-C4' energy: -87.847
flat angles C4'-P-C4' energy: -45.453
flat angles P-C4'-P energy: -43.420
tors. eta vs tors. theta energy: 16.059
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: 1
=====================================
Write number: 119
Temperature: 0.900000
Total energy: -1260.362450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1260.362450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1260.362450 (E_RNA)
where:
Base-Base interactions energy: -772.126
where: short stacking energy: -422.334
Base-Backbone interact. energy: -2.375
local terms energy: -485.861653
where:
bonds (distance) C4'-P energy: -91.545
bonds (distance) P-C4' energy: -97.856
flat angles C4'-P-C4' energy: -105.485
flat angles P-C4'-P energy: -74.501
tors. eta vs tors. theta energy: -116.475
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: 4
=====================================
Write number: 119
Temperature: 0.950000
Total energy: -1089.042968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1089.042968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1089.042968 (E_RNA)
where:
Base-Base interactions energy: -619.269
where: short stacking energy: -366.506
Base-Backbone interact. energy: -1.120
local terms energy: -468.653838
where:
bonds (distance) C4'-P energy: -90.836
bonds (distance) P-C4' energy: -84.602
flat angles C4'-P-C4' energy: -107.732
flat angles P-C4'-P energy: -67.615
tors. eta vs tors. theta energy: -117.869
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: 2
=====================================
Write number: 119
Temperature: 1.000000
Total energy: -869.583074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -869.583074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -869.583074 (E_RNA)
where:
Base-Base interactions energy: -473.794
where: short stacking energy: -282.676
Base-Backbone interact. energy: 0.732
local terms energy: -396.520299
where:
bonds (distance) C4'-P energy: -99.200
bonds (distance) P-C4' energy: -95.718
flat angles C4'-P-C4' energy: -84.408
flat angles P-C4'-P energy: -53.847
tors. eta vs tors. theta energy: -63.347
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 119
Temperature: 1.050000
Total energy: -730.144260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -730.144260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -730.144260 (E_RNA)
where:
Base-Base interactions energy: -361.403
where: short stacking energy: -240.694
Base-Backbone interact. energy: 1.533
local terms energy: -370.273772
where:
bonds (distance) C4'-P energy: -95.955
bonds (distance) P-C4' energy: -85.833
flat angles C4'-P-C4' energy: -85.104
flat angles P-C4'-P energy: -63.753
tors. eta vs tors. theta energy: -39.630
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: 119
Temperature: 1.100000
Total energy: -660.307704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -660.307704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -660.307704 (E_RNA)
where:
Base-Base interactions energy: -332.082
where: short stacking energy: -217.442
Base-Backbone interact. energy: -1.489
local terms energy: -326.737314
where:
bonds (distance) C4'-P energy: -70.144
bonds (distance) P-C4' energy: -74.630
flat angles C4'-P-C4' energy: -79.995
flat angles P-C4'-P energy: -61.800
tors. eta vs tors. theta energy: -40.168
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 119
Temperature: 1.150000
Total energy: -491.518876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.518876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.518876 (E_RNA)
where:
Base-Base interactions energy: -168.831
where: short stacking energy: -141.212
Base-Backbone interact. energy: -0.505
local terms energy: -322.183086
where:
bonds (distance) C4'-P energy: -66.954
bonds (distance) P-C4' energy: -104.610
flat angles C4'-P-C4' energy: -90.972
flat angles P-C4'-P energy: -48.863
tors. eta vs tors. theta energy: -10.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 119
Temperature: 1.200000
Total energy: -467.391213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -467.391213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -467.391213 (E_RNA)
where:
Base-Base interactions energy: -191.338
where: short stacking energy: -126.683
Base-Backbone interact. energy: -1.161
local terms energy: -274.891955
where:
bonds (distance) C4'-P energy: -79.883
bonds (distance) P-C4' energy: -85.464
flat angles C4'-P-C4' energy: -64.198
flat angles P-C4'-P energy: -47.812
tors. eta vs tors. theta energy: 2.463
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: 119
Temperature: 1.250000
Total energy: -410.702238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.702238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -410.702238 (E_RNA)
where:
Base-Base interactions energy: -156.953
where: short stacking energy: -114.792
Base-Backbone interact. energy: -0.462
local terms energy: -253.287346
where:
bonds (distance) C4'-P energy: -69.066
bonds (distance) P-C4' energy: -88.719
flat angles C4'-P-C4' energy: -67.685
flat angles P-C4'-P energy: -34.760
tors. eta vs tors. theta energy: 6.942
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 119
Temperature: 1.300000
Total energy: -377.045635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -377.045635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -377.045635 (E_RNA)
where:
Base-Base interactions energy: -123.963
where: short stacking energy: -112.031
Base-Backbone interact. energy: -0.536
local terms energy: -252.546921
where:
bonds (distance) C4'-P energy: -80.570
bonds (distance) P-C4' energy: -81.491
flat angles C4'-P-C4' energy: -56.996
flat angles P-C4'-P energy: -38.210
tors. eta vs tors. theta energy: 4.721
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: 3
=====================================
Write number: 119
Temperature: 1.350000
Total energy: -348.543198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.543198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.543198 (E_RNA)
where:
Base-Base interactions energy: -113.179
where: short stacking energy: -102.618
Base-Backbone interact. energy: -0.959
local terms energy: -234.405351
where:
bonds (distance) C4'-P energy: -63.709
bonds (distance) P-C4' energy: -72.696
flat angles C4'-P-C4' energy: -68.640
flat angles P-C4'-P energy: -31.619
tors. eta vs tors. theta energy: 2.259
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 120
Temperature: 0.900000
Total energy: -1212.313842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1212.313842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1212.313842 (E_RNA)
where:
Base-Base interactions energy: -746.326
where: short stacking energy: -412.577
Base-Backbone interact. energy: -0.229
local terms energy: -465.758984
where:
bonds (distance) C4'-P energy: -89.654
bonds (distance) P-C4' energy: -83.858
flat angles C4'-P-C4' energy: -104.250
flat angles P-C4'-P energy: -72.230
tors. eta vs tors. theta energy: -115.767
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 120
Temperature: 0.950000
Total energy: -1069.279921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1069.279921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1069.279921 (E_RNA)
where:
Base-Base interactions energy: -621.068
where: short stacking energy: -361.581
Base-Backbone interact. energy: -1.400
local terms energy: -446.811716
where:
bonds (distance) C4'-P energy: -85.008
bonds (distance) P-C4' energy: -85.063
flat angles C4'-P-C4' energy: -98.507
flat angles P-C4'-P energy: -75.318
tors. eta vs tors. theta energy: -102.915
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 120
Temperature: 1.000000
Total energy: -897.078604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -897.078604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -897.078604 (E_RNA)
where:
Base-Base interactions energy: -478.120
where: short stacking energy: -308.688
Base-Backbone interact. energy: -1.899
local terms energy: -417.059711
where:
bonds (distance) C4'-P energy: -90.179
bonds (distance) P-C4' energy: -92.375
flat angles C4'-P-C4' energy: -100.660
flat angles P-C4'-P energy: -56.642
tors. eta vs tors. theta energy: -77.204
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 120
Temperature: 1.050000
Total energy: -699.385369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -699.385369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -699.385369 (E_RNA)
where:
Base-Base interactions energy: -357.322
where: short stacking energy: -253.927
Base-Backbone interact. energy: 2.497
local terms energy: -344.560687
where:
bonds (distance) C4'-P energy: -75.493
bonds (distance) P-C4' energy: -96.637
flat angles C4'-P-C4' energy: -74.535
flat angles P-C4'-P energy: -48.981
tors. eta vs tors. theta energy: -48.914
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: 6
=====================================
Write number: 120
Temperature: 1.100000
Total energy: -672.710280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -672.710280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -672.710280 (E_RNA)
where:
Base-Base interactions energy: -326.224
where: short stacking energy: -208.342
Base-Backbone interact. energy: -0.275
local terms energy: -346.211564
where:
bonds (distance) C4'-P energy: -83.493
bonds (distance) P-C4' energy: -79.269
flat angles C4'-P-C4' energy: -89.475
flat angles P-C4'-P energy: -57.216
tors. eta vs tors. theta energy: -36.758
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 120
Temperature: 1.150000
Total energy: -484.295312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -484.295312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -484.295312 (E_RNA)
where:
Base-Base interactions energy: -158.457
where: short stacking energy: -146.109
Base-Backbone interact. energy: -0.563
local terms energy: -325.274907
where:
bonds (distance) C4'-P energy: -78.445
bonds (distance) P-C4' energy: -88.038
flat angles C4'-P-C4' energy: -79.048
flat angles P-C4'-P energy: -52.147
tors. eta vs tors. theta energy: -27.597
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 120
Temperature: 1.200000
Total energy: -465.326540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -465.326540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -465.326540 (E_RNA)
where:
Base-Base interactions energy: -163.954
where: short stacking energy: -135.132
Base-Backbone interact. energy: -1.710
local terms energy: -299.662940
where:
bonds (distance) C4'-P energy: -87.574
bonds (distance) P-C4' energy: -83.508
flat angles C4'-P-C4' energy: -78.480
flat angles P-C4'-P energy: -42.490
tors. eta vs tors. theta energy: -7.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 120
Temperature: 1.250000
Total energy: -385.612820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -385.612820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -385.612820 (E_RNA)
where:
Base-Base interactions energy: -123.258
where: short stacking energy: -121.830
Base-Backbone interact. energy: 2.503
local terms energy: -264.858502
where:
bonds (distance) C4'-P energy: -72.161
bonds (distance) P-C4' energy: -79.578
flat angles C4'-P-C4' energy: -73.817
flat angles P-C4'-P energy: -43.786
tors. eta vs tors. theta energy: 4.482
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: 3
=====================================
Write number: 120
Temperature: 1.300000
Total energy: -394.933137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -394.933137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -394.933137 (E_RNA)
where:
Base-Base interactions energy: -142.552
where: short stacking energy: -124.223
Base-Backbone interact. energy: -1.699
local terms energy: -250.682692
where:
bonds (distance) C4'-P energy: -80.503
bonds (distance) P-C4' energy: -80.275
flat angles C4'-P-C4' energy: -87.200
flat angles P-C4'-P energy: -15.643
tors. eta vs tors. theta energy: 12.938
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: 10
=====================================
Write number: 120
Temperature: 1.350000
Total energy: -338.147337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.147337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.147337 (E_RNA)
where:
Base-Base interactions energy: -102.508
where: short stacking energy: -91.574
Base-Backbone interact. energy: -0.692
local terms energy: -234.947125
where:
bonds (distance) C4'-P energy: -81.494
bonds (distance) P-C4' energy: -80.240
flat angles C4'-P-C4' energy: -59.771
flat angles P-C4'-P energy: -23.536
tors. eta vs tors. theta energy: 10.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 121
Temperature: 0.900000
Total energy: -1210.851095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1210.851095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1210.851095 (E_RNA)
where:
Base-Base interactions energy: -728.966
where: short stacking energy: -387.538
Base-Backbone interact. energy: -2.165
local terms energy: -479.720018
where:
bonds (distance) C4'-P energy: -97.260
bonds (distance) P-C4' energy: -96.709
flat angles C4'-P-C4' energy: -107.178
flat angles P-C4'-P energy: -66.653
tors. eta vs tors. theta energy: -111.921
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: 121
Temperature: 0.950000
Total energy: -1065.998184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1065.998184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1065.998184 (E_RNA)
where:
Base-Base interactions energy: -618.897
where: short stacking energy: -369.638
Base-Backbone interact. energy: -0.788
local terms energy: -446.312902
where:
bonds (distance) C4'-P energy: -79.454
bonds (distance) P-C4' energy: -91.878
flat angles C4'-P-C4' energy: -105.012
flat angles P-C4'-P energy: -61.397
tors. eta vs tors. theta energy: -108.572
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: 2
=====================================
Write number: 121
Temperature: 1.000000
Total energy: -923.153325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -923.153325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -923.153325 (E_RNA)
where:
Base-Base interactions energy: -513.134
where: short stacking energy: -313.875
Base-Backbone interact. energy: -1.222
local terms energy: -408.797389
where:
bonds (distance) C4'-P energy: -94.659
bonds (distance) P-C4' energy: -104.356
flat angles C4'-P-C4' energy: -80.839
flat angles P-C4'-P energy: -56.304
tors. eta vs tors. theta energy: -72.640
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 121
Temperature: 1.050000
Total energy: -776.273594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -776.273594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -776.273594 (E_RNA)
where:
Base-Base interactions energy: -397.261
where: short stacking energy: -272.205
Base-Backbone interact. energy: 0.405
local terms energy: -379.417730
where:
bonds (distance) C4'-P energy: -77.132
bonds (distance) P-C4' energy: -90.994
flat angles C4'-P-C4' energy: -91.198
flat angles P-C4'-P energy: -46.520
tors. eta vs tors. theta energy: -73.574
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 121
Temperature: 1.100000
Total energy: -692.398577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -692.398577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -692.398577 (E_RNA)
where:
Base-Base interactions energy: -326.198
where: short stacking energy: -195.818
Base-Backbone interact. energy: -2.033
local terms energy: -364.167819
where:
bonds (distance) C4'-P energy: -82.170
bonds (distance) P-C4' energy: -86.665
flat angles C4'-P-C4' energy: -92.442
flat angles P-C4'-P energy: -57.085
tors. eta vs tors. theta energy: -45.806
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: 5
=====================================
Write number: 121
Temperature: 1.150000
Total energy: -531.956068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.956068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.956068 (E_RNA)
where:
Base-Base interactions energy: -207.089
where: short stacking energy: -176.454
Base-Backbone interact. energy: 0.811
local terms energy: -325.677311
where:
bonds (distance) C4'-P energy: -75.402
bonds (distance) P-C4' energy: -82.715
flat angles C4'-P-C4' energy: -86.682
flat angles P-C4'-P energy: -50.516
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: 9
=====================================
Write number: 121
Temperature: 1.200000
Total energy: -433.983897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -433.983897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -433.983897 (E_RNA)
where:
Base-Base interactions energy: -138.888
where: short stacking energy: -121.477
Base-Backbone interact. energy: 0.189
local terms energy: -295.284723
where:
bonds (distance) C4'-P energy: -82.965
bonds (distance) P-C4' energy: -93.973
flat angles C4'-P-C4' energy: -70.483
flat angles P-C4'-P energy: -46.724
tors. eta vs tors. theta energy: -1.140
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 121
Temperature: 1.250000
Total energy: -407.679275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.679275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -407.679275 (E_RNA)
where:
Base-Base interactions energy: -137.854
where: short stacking energy: -123.107
Base-Backbone interact. energy: 2.117
local terms energy: -271.941776
where:
bonds (distance) C4'-P energy: -90.617
bonds (distance) P-C4' energy: -84.816
flat angles C4'-P-C4' energy: -63.315
flat angles P-C4'-P energy: -35.194
tors. eta vs tors. theta energy: 1.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 121
Temperature: 1.300000
Total energy: -390.971939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -390.971939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -390.971939 (E_RNA)
where:
Base-Base interactions energy: -133.123
where: short stacking energy: -120.618
Base-Backbone interact. energy: 0.082
local terms energy: -257.931033
where:
bonds (distance) C4'-P energy: -76.995
bonds (distance) P-C4' energy: -81.003
flat angles C4'-P-C4' energy: -83.839
flat angles P-C4'-P energy: -16.368
tors. eta vs tors. theta energy: 0.274
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 121
Temperature: 1.350000
Total energy: -364.027817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.027817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.027817 (E_RNA)
where:
Base-Base interactions energy: -143.420
where: short stacking energy: -127.978
Base-Backbone interact. energy: 1.366
local terms energy: -221.974651
where:
bonds (distance) C4'-P energy: -61.245
bonds (distance) P-C4' energy: -71.018
flat angles C4'-P-C4' energy: -56.635
flat angles P-C4'-P energy: -38.470
tors. eta vs tors. theta energy: 5.394
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 122
Temperature: 0.900000
Total energy: -1227.217590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1227.217590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1227.217590 (E_RNA)
where:
Base-Base interactions energy: -738.292
where: short stacking energy: -435.474
Base-Backbone interact. energy: -3.222
local terms energy: -485.703971
where:
bonds (distance) C4'-P energy: -87.160
bonds (distance) P-C4' energy: -98.116
flat angles C4'-P-C4' energy: -108.676
flat angles P-C4'-P energy: -70.897
tors. eta vs tors. theta energy: -120.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 122
Temperature: 0.950000
Total energy: -1058.363512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1058.363512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1058.363512 (E_RNA)
where:
Base-Base interactions energy: -617.611
where: short stacking energy: -355.646
Base-Backbone interact. energy: -1.203
local terms energy: -439.549610
where:
bonds (distance) C4'-P energy: -88.185
bonds (distance) P-C4' energy: -97.588
flat angles C4'-P-C4' energy: -106.443
flat angles P-C4'-P energy: -60.670
tors. eta vs tors. theta energy: -86.664
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 122
Temperature: 1.000000
Total energy: -886.311629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -886.311629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -886.311629 (E_RNA)
where:
Base-Base interactions energy: -495.194
where: short stacking energy: -314.066
Base-Backbone interact. energy: -2.664
local terms energy: -388.453748
where:
bonds (distance) C4'-P energy: -87.844
bonds (distance) P-C4' energy: -101.801
flat angles C4'-P-C4' energy: -90.132
flat angles P-C4'-P energy: -41.909
tors. eta vs tors. theta energy: -66.766
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: 122
Temperature: 1.050000
Total energy: -756.863772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -756.863772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -756.863772 (E_RNA)
where:
Base-Base interactions energy: -374.961
where: short stacking energy: -233.118
Base-Backbone interact. energy: 1.532
local terms energy: -383.434364
where:
bonds (distance) C4'-P energy: -88.103
bonds (distance) P-C4' energy: -92.024
flat angles C4'-P-C4' energy: -90.136
flat angles P-C4'-P energy: -62.023
tors. eta vs tors. theta energy: -51.148
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 122
Temperature: 1.100000
Total energy: -688.619261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -688.619261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -688.619261 (E_RNA)
where:
Base-Base interactions energy: -362.553
where: short stacking energy: -223.348
Base-Backbone interact. energy: -1.216
local terms energy: -324.850333
where:
bonds (distance) C4'-P energy: -77.365
bonds (distance) P-C4' energy: -80.089
flat angles C4'-P-C4' energy: -80.625
flat angles P-C4'-P energy: -49.349
tors. eta vs tors. theta energy: -37.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 122
Temperature: 1.150000
Total energy: -524.294382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.294382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.294382 (E_RNA)
where:
Base-Base interactions energy: -208.221
where: short stacking energy: -176.371
Base-Backbone interact. energy: 2.107
local terms energy: -318.180491
where:
bonds (distance) C4'-P energy: -89.968
bonds (distance) P-C4' energy: -77.996
flat angles C4'-P-C4' energy: -87.234
flat angles P-C4'-P energy: -38.963
tors. eta vs tors. theta energy: -24.019
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: 9
=====================================
Write number: 122
Temperature: 1.200000
Total energy: -443.328168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -443.328168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -443.328168 (E_RNA)
where:
Base-Base interactions energy: -155.060
where: short stacking energy: -131.511
Base-Backbone interact. energy: -1.281
local terms energy: -286.986765
where:
bonds (distance) C4'-P energy: -77.945
bonds (distance) P-C4' energy: -79.403
flat angles C4'-P-C4' energy: -82.784
flat angles P-C4'-P energy: -44.660
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: 8, replica: 8
=====================================
Write number: 122
Temperature: 1.250000
Total energy: -431.768781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -431.768781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -431.768781 (E_RNA)
where:
Base-Base interactions energy: -155.210
where: short stacking energy: -128.795
Base-Backbone interact. energy: -0.659
local terms energy: -275.900309
where:
bonds (distance) C4'-P energy: -87.078
bonds (distance) P-C4' energy: -78.067
flat angles C4'-P-C4' energy: -58.100
flat angles P-C4'-P energy: -46.494
tors. eta vs tors. theta energy: -6.162
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 122
Temperature: 1.300000
Total energy: -389.803946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -389.803946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -389.803946 (E_RNA)
where:
Base-Base interactions energy: -118.094
where: short stacking energy: -105.711
Base-Backbone interact. energy: -1.613
local terms energy: -270.096705
where:
bonds (distance) C4'-P energy: -88.620
bonds (distance) P-C4' energy: -67.826
flat angles C4'-P-C4' energy: -64.961
flat angles P-C4'-P energy: -50.850
tors. eta vs tors. theta energy: 2.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 122
Temperature: 1.350000
Total energy: -347.509202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.509202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.509202 (E_RNA)
where:
Base-Base interactions energy: -109.511
where: short stacking energy: -89.278
Base-Backbone interact. energy: 3.561
local terms energy: -241.559637
where:
bonds (distance) C4'-P energy: -71.492
bonds (distance) P-C4' energy: -84.260
flat angles C4'-P-C4' energy: -72.712
flat angles P-C4'-P energy: -36.391
tors. eta vs tors. theta energy: 23.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 123
Temperature: 0.900000
Total energy: -1224.836508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1224.836508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1224.836508 (E_RNA)
where:
Base-Base interactions energy: -723.595
where: short stacking energy: -409.810
Base-Backbone interact. energy: 0.495
local terms energy: -501.737079
where:
bonds (distance) C4'-P energy: -95.958
bonds (distance) P-C4' energy: -94.793
flat angles C4'-P-C4' energy: -113.826
flat angles P-C4'-P energy: -77.680
tors. eta vs tors. theta energy: -119.480
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 123
Temperature: 0.950000
Total energy: -1056.250747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1056.250747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1056.250747 (E_RNA)
where:
Base-Base interactions energy: -596.828
where: short stacking energy: -355.261
Base-Backbone interact. energy: -1.516
local terms energy: -457.906674
where:
bonds (distance) C4'-P energy: -90.610
bonds (distance) P-C4' energy: -91.451
flat angles C4'-P-C4' energy: -109.137
flat angles P-C4'-P energy: -66.740
tors. eta vs tors. theta energy: -99.968
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 123
Temperature: 1.000000
Total energy: -924.922698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -924.922698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -924.922698 (E_RNA)
where:
Base-Base interactions energy: -527.388
where: short stacking energy: -323.961
Base-Backbone interact. energy: 1.425
local terms energy: -398.959107
where:
bonds (distance) C4'-P energy: -90.903
bonds (distance) P-C4' energy: -98.381
flat angles C4'-P-C4' energy: -85.900
flat angles P-C4'-P energy: -50.125
tors. eta vs tors. theta energy: -73.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 123
Temperature: 1.050000
Total energy: -786.112905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -786.112905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -786.112905 (E_RNA)
where:
Base-Base interactions energy: -410.042
where: short stacking energy: -252.358
Base-Backbone interact. energy: -2.011
local terms energy: -374.060023
where:
bonds (distance) C4'-P energy: -84.179
bonds (distance) P-C4' energy: -92.841
flat angles C4'-P-C4' energy: -81.630
flat angles P-C4'-P energy: -58.325
tors. eta vs tors. theta energy: -57.086
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 123
Temperature: 1.100000
Total energy: -659.995486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -659.995486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -659.995486 (E_RNA)
where:
Base-Base interactions energy: -338.492
where: short stacking energy: -219.383
Base-Backbone interact. energy: 1.220
local terms energy: -322.724253
where:
bonds (distance) C4'-P energy: -88.343
bonds (distance) P-C4' energy: -81.118
flat angles C4'-P-C4' energy: -82.672
flat angles P-C4'-P energy: -41.321
tors. eta vs tors. theta energy: -29.271
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: 5
=====================================
Write number: 123
Temperature: 1.150000
Total energy: -534.739990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.739990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.739990 (E_RNA)
where:
Base-Base interactions energy: -232.763
where: short stacking energy: -177.176
Base-Backbone interact. energy: 1.375
local terms energy: -303.352100
where:
bonds (distance) C4'-P energy: -79.941
bonds (distance) P-C4' energy: -90.942
flat angles C4'-P-C4' energy: -75.540
flat angles P-C4'-P energy: -39.882
tors. eta vs tors. theta energy: -17.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 123
Temperature: 1.200000
Total energy: -459.893485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -459.893485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -459.893485 (E_RNA)
where:
Base-Base interactions energy: -167.633
where: short stacking energy: -145.790
Base-Backbone interact. energy: -0.507
local terms energy: -291.754117
where:
bonds (distance) C4'-P energy: -86.694
bonds (distance) P-C4' energy: -66.185
flat angles C4'-P-C4' energy: -84.915
flat angles P-C4'-P energy: -43.213
tors. eta vs tors. theta energy: -10.748
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 123
Temperature: 1.250000
Total energy: -429.347992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -429.347992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -429.347992 (E_RNA)
where:
Base-Base interactions energy: -162.013
where: short stacking energy: -154.535
Base-Backbone interact. energy: 3.256
local terms energy: -270.590772
where:
bonds (distance) C4'-P energy: -82.541
bonds (distance) P-C4' energy: -70.878
flat angles C4'-P-C4' energy: -66.982
flat angles P-C4'-P energy: -41.427
tors. eta vs tors. theta energy: -8.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 123
Temperature: 1.300000
Total energy: -370.061072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.061072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.061072 (E_RNA)
where:
Base-Base interactions energy: -111.502
where: short stacking energy: -108.160
Base-Backbone interact. energy: 0.131
local terms energy: -258.689423
where:
bonds (distance) C4'-P energy: -81.694
bonds (distance) P-C4' energy: -88.431
flat angles C4'-P-C4' energy: -64.664
flat angles P-C4'-P energy: -26.823
tors. eta vs tors. theta energy: 2.923
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: 10, replica: 3
=====================================
Write number: 123
Temperature: 1.350000
Total energy: -344.530795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.530795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.530795 (E_RNA)
where:
Base-Base interactions energy: -99.118
where: short stacking energy: -86.074
Base-Backbone interact. energy: -1.609
local terms energy: -243.804210
where:
bonds (distance) C4'-P energy: -70.932
bonds (distance) P-C4' energy: -83.264
flat angles C4'-P-C4' energy: -73.555
flat angles P-C4'-P energy: -24.644
tors. eta vs tors. theta energy: 8.591
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 124
Temperature: 0.900000
Total energy: -1245.634086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1245.634086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1245.634086 (E_RNA)
where:
Base-Base interactions energy: -773.272
where: short stacking energy: -410.637
Base-Backbone interact. energy: 3.063
local terms energy: -475.424869
where:
bonds (distance) C4'-P energy: -97.062
bonds (distance) P-C4' energy: -93.652
flat angles C4'-P-C4' energy: -101.671
flat angles P-C4'-P energy: -58.224
tors. eta vs tors. theta energy: -124.816
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 124
Temperature: 0.950000
Total energy: -1075.662158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1075.662158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1075.662158 (E_RNA)
where:
Base-Base interactions energy: -614.906
where: short stacking energy: -374.239
Base-Backbone interact. energy: -0.486
local terms energy: -460.270224
where:
bonds (distance) C4'-P energy: -87.383
bonds (distance) P-C4' energy: -92.648
flat angles C4'-P-C4' energy: -98.255
flat angles P-C4'-P energy: -71.360
tors. eta vs tors. theta energy: -110.623
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: 3, replica: 2
=====================================
Write number: 124
Temperature: 1.000000
Total energy: -944.594103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -944.594103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -944.594103 (E_RNA)
where:
Base-Base interactions energy: -519.954
where: short stacking energy: -328.450
Base-Backbone interact. energy: -2.745
local terms energy: -421.894810
where:
bonds (distance) C4'-P energy: -93.305
bonds (distance) P-C4' energy: -89.876
flat angles C4'-P-C4' energy: -94.026
flat angles P-C4'-P energy: -56.121
tors. eta vs tors. theta energy: -88.567
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: 7
=====================================
Write number: 124
Temperature: 1.050000
Total energy: -785.617069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -785.617069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -785.617069 (E_RNA)
where:
Base-Base interactions energy: -423.573
where: short stacking energy: -246.840
Base-Backbone interact. energy: -0.598
local terms energy: -361.446600
where:
bonds (distance) C4'-P energy: -81.072
bonds (distance) P-C4' energy: -97.433
flat angles C4'-P-C4' energy: -80.563
flat angles P-C4'-P energy: -43.462
tors. eta vs tors. theta energy: -58.916
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 124
Temperature: 1.100000
Total energy: -662.997149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -662.997149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -662.997149 (E_RNA)
where:
Base-Base interactions energy: -306.147
where: short stacking energy: -224.423
Base-Backbone interact. energy: -0.317
local terms energy: -356.533496
where:
bonds (distance) C4'-P energy: -80.464
bonds (distance) P-C4' energy: -93.627
flat angles C4'-P-C4' energy: -88.683
flat angles P-C4'-P energy: -49.804
tors. eta vs tors. theta energy: -43.955
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: 6, replica: 5
=====================================
Write number: 124
Temperature: 1.150000
Total energy: -509.465586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.465586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.465586 (E_RNA)
where:
Base-Base interactions energy: -211.978
where: short stacking energy: -178.098
Base-Backbone interact. energy: -1.494
local terms energy: -295.993550
where:
bonds (distance) C4'-P energy: -78.170
bonds (distance) P-C4' energy: -84.454
flat angles C4'-P-C4' energy: -64.308
flat angles P-C4'-P energy: -46.140
tors. eta vs tors. theta energy: -22.921
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 124
Temperature: 1.200000
Total energy: -491.319513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.319513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.319513 (E_RNA)
where:
Base-Base interactions energy: -193.223
where: short stacking energy: -153.901
Base-Backbone interact. energy: 1.694
local terms energy: -299.789928
where:
bonds (distance) C4'-P energy: -71.533
bonds (distance) P-C4' energy: -86.232
flat angles C4'-P-C4' energy: -81.791
flat angles P-C4'-P energy: -46.864
tors. eta vs tors. theta energy: -13.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 124
Temperature: 1.250000
Total energy: -419.257137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.257137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.257137 (E_RNA)
where:
Base-Base interactions energy: -151.240
where: short stacking energy: -133.116
Base-Backbone interact. energy: 0.847
local terms energy: -268.863657
where:
bonds (distance) C4'-P energy: -67.992
bonds (distance) P-C4' energy: -85.361
flat angles C4'-P-C4' energy: -71.572
flat angles P-C4'-P energy: -37.171
tors. eta vs tors. theta energy: -6.768
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 124
Temperature: 1.300000
Total energy: -357.472181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.472181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.472181 (E_RNA)
where:
Base-Base interactions energy: -105.611
where: short stacking energy: -98.146
Base-Backbone interact. energy: 0.143
local terms energy: -252.003734
where:
bonds (distance) C4'-P energy: -80.617
bonds (distance) P-C4' energy: -78.737
flat angles C4'-P-C4' energy: -77.299
flat angles P-C4'-P energy: -36.860
tors. eta vs tors. theta energy: 21.508
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: 124
Temperature: 1.350000
Total energy: -381.510224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -381.510224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -381.510224 (E_RNA)
where:
Base-Base interactions energy: -126.579
where: short stacking energy: -101.580
Base-Backbone interact. energy: -2.041
local terms energy: -252.890291
where:
bonds (distance) C4'-P energy: -87.114
bonds (distance) P-C4' energy: -70.298
flat angles C4'-P-C4' energy: -75.453
flat angles P-C4'-P energy: -33.205
tors. eta vs tors. theta energy: 13.180
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 125
Temperature: 0.900000
Total energy: -1221.120642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1221.120642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1221.120642 (E_RNA)
where:
Base-Base interactions energy: -751.641
where: short stacking energy: -395.445
Base-Backbone interact. energy: -5.486
local terms energy: -463.993754
where:
bonds (distance) C4'-P energy: -88.713
bonds (distance) P-C4' energy: -91.566
flat angles C4'-P-C4' energy: -103.977
flat angles P-C4'-P energy: -66.183
tors. eta vs tors. theta energy: -113.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 125
Temperature: 0.950000
Total energy: -1106.872676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1106.872676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1106.872676 (E_RNA)
where:
Base-Base interactions energy: -635.571
where: short stacking energy: -376.755
Base-Backbone interact. energy: -2.817
local terms energy: -468.484723
where:
bonds (distance) C4'-P energy: -92.438
bonds (distance) P-C4' energy: -99.605
flat angles C4'-P-C4' energy: -98.010
flat angles P-C4'-P energy: -64.837
tors. eta vs tors. theta energy: -113.595
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: 2
=====================================
Write number: 125
Temperature: 1.000000
Total energy: -975.408374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -975.408374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -975.408374 (E_RNA)
where:
Base-Base interactions energy: -549.566
where: short stacking energy: -322.620
Base-Backbone interact. energy: -3.410
local terms energy: -422.432406
where:
bonds (distance) C4'-P energy: -89.685
bonds (distance) P-C4' energy: -90.124
flat angles C4'-P-C4' energy: -101.319
flat angles P-C4'-P energy: -58.444
tors. eta vs tors. theta energy: -82.861
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 125
Temperature: 1.050000
Total energy: -784.841460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -784.841460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -784.841460 (E_RNA)
where:
Base-Base interactions energy: -387.760
where: short stacking energy: -261.739
Base-Backbone interact. energy: -3.178
local terms energy: -393.903710
where:
bonds (distance) C4'-P energy: -76.279
bonds (distance) P-C4' energy: -94.810
flat angles C4'-P-C4' energy: -86.990
flat angles P-C4'-P energy: -71.593
tors. eta vs tors. theta energy: -64.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 125
Temperature: 1.100000
Total energy: -628.010574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -628.010574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -628.010574 (E_RNA)
where:
Base-Base interactions energy: -287.484
where: short stacking energy: -208.114
Base-Backbone interact. energy: -1.072
local terms energy: -339.453904
where:
bonds (distance) C4'-P energy: -77.031
bonds (distance) P-C4' energy: -96.214
flat angles C4'-P-C4' energy: -90.182
flat angles P-C4'-P energy: -51.671
tors. eta vs tors. theta energy: -24.356
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 125
Temperature: 1.150000
Total energy: -533.156975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.156975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.156975 (E_RNA)
where:
Base-Base interactions energy: -221.367
where: short stacking energy: -174.543
Base-Backbone interact. energy: 2.940
local terms energy: -314.729704
where:
bonds (distance) C4'-P energy: -80.919
bonds (distance) P-C4' energy: -88.904
flat angles C4'-P-C4' energy: -75.044
flat angles P-C4'-P energy: -55.514
tors. eta vs tors. theta energy: -14.349
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 125
Temperature: 1.200000
Total energy: -446.939424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -446.939424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -446.939424 (E_RNA)
where:
Base-Base interactions energy: -186.099
where: short stacking energy: -156.732
Base-Backbone interact. energy: -0.443
local terms energy: -260.396837
where:
bonds (distance) C4'-P energy: -54.862
bonds (distance) P-C4' energy: -78.420
flat angles C4'-P-C4' energy: -74.239
flat angles P-C4'-P energy: -33.422
tors. eta vs tors. theta energy: -19.454
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: 10
=====================================
Write number: 125
Temperature: 1.250000
Total energy: -422.262695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -422.262695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -422.262695 (E_RNA)
where:
Base-Base interactions energy: -152.830
where: short stacking energy: -132.739
Base-Backbone interact. energy: 0.936
local terms energy: -270.368217
where:
bonds (distance) C4'-P energy: -79.843
bonds (distance) P-C4' energy: -75.816
flat angles C4'-P-C4' energy: -63.440
flat angles P-C4'-P energy: -37.673
tors. eta vs tors. theta energy: -13.597
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: 3
=====================================
Write number: 125
Temperature: 1.300000
Total energy: -379.731917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -379.731917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -379.731917 (E_RNA)
where:
Base-Base interactions energy: -140.427
where: short stacking energy: -114.446
Base-Backbone interact. energy: 0.656
local terms energy: -239.961773
where:
bonds (distance) C4'-P energy: -64.801
bonds (distance) P-C4' energy: -85.868
flat angles C4'-P-C4' energy: -57.116
flat angles P-C4'-P energy: -29.045
tors. eta vs tors. theta energy: -3.131
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: 8
=====================================
Write number: 125
Temperature: 1.350000
Total energy: -362.390425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.390425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.390425 (E_RNA)
where:
Base-Base interactions energy: -112.518
where: short stacking energy: -102.382
Base-Backbone interact. energy: 1.053
local terms energy: -250.925109
where:
bonds (distance) C4'-P energy: -68.946
bonds (distance) P-C4' energy: -71.092
flat angles C4'-P-C4' energy: -66.620
flat angles P-C4'-P energy: -31.683
tors. eta vs tors. theta energy: -12.584
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: 1
=====================================
Write number: 126
Temperature: 0.900000
Total energy: -1208.853636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1208.853636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1208.853636 (E_RNA)
where:
Base-Base interactions energy: -745.047
where: short stacking energy: -401.071
Base-Backbone interact. energy: -3.888
local terms energy: -459.918879
where:
bonds (distance) C4'-P energy: -90.917
bonds (distance) P-C4' energy: -92.652
flat angles C4'-P-C4' energy: -98.527
flat angles P-C4'-P energy: -61.369
tors. eta vs tors. theta energy: -116.454
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: 4
=====================================
Write number: 126
Temperature: 0.950000
Total energy: -1064.804909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1064.804909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1064.804909 (E_RNA)
where:
Base-Base interactions energy: -630.160
where: short stacking energy: -380.473
Base-Backbone interact. energy: 1.026
local terms energy: -435.671207
where:
bonds (distance) C4'-P energy: -80.410
bonds (distance) P-C4' energy: -97.753
flat angles C4'-P-C4' energy: -97.857
flat angles P-C4'-P energy: -53.667
tors. eta vs tors. theta energy: -105.984
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 126
Temperature: 1.000000
Total energy: -997.690718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -997.690718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -997.690718 (E_RNA)
where:
Base-Base interactions energy: -573.542
where: short stacking energy: -349.847
Base-Backbone interact. energy: -3.384
local terms energy: -420.765282
where:
bonds (distance) C4'-P energy: -87.614
bonds (distance) P-C4' energy: -84.500
flat angles C4'-P-C4' energy: -91.658
flat angles P-C4'-P energy: -59.516
tors. eta vs tors. theta energy: -97.478
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 126
Temperature: 1.050000
Total energy: -788.201032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -788.201032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -788.201032 (E_RNA)
where:
Base-Base interactions energy: -407.132
where: short stacking energy: -255.424
Base-Backbone interact. energy: -0.582
local terms energy: -380.486813
where:
bonds (distance) C4'-P energy: -76.682
bonds (distance) P-C4' energy: -91.630
flat angles C4'-P-C4' energy: -96.370
flat angles P-C4'-P energy: -51.368
tors. eta vs tors. theta energy: -64.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 126
Temperature: 1.100000
Total energy: -668.787901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -668.787901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -668.787901 (E_RNA)
where:
Base-Base interactions energy: -324.636
where: short stacking energy: -226.225
Base-Backbone interact. energy: -1.526
local terms energy: -342.626282
where:
bonds (distance) C4'-P energy: -96.543
bonds (distance) P-C4' energy: -74.896
flat angles C4'-P-C4' energy: -79.696
flat angles P-C4'-P energy: -42.624
tors. eta vs tors. theta energy: -48.866
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 126
Temperature: 1.150000
Total energy: -531.493186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.493186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.493186 (E_RNA)
where:
Base-Base interactions energy: -224.930
where: short stacking energy: -177.055
Base-Backbone interact. energy: -0.448
local terms energy: -306.115308
where:
bonds (distance) C4'-P energy: -62.268
bonds (distance) P-C4' energy: -83.343
flat angles C4'-P-C4' energy: -86.236
flat angles P-C4'-P energy: -53.292
tors. eta vs tors. theta energy: -20.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 126
Temperature: 1.200000
Total energy: -442.409659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -442.409659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -442.409659 (E_RNA)
where:
Base-Base interactions energy: -178.744
where: short stacking energy: -154.781
Base-Backbone interact. energy: 3.267
local terms energy: -266.933453
where:
bonds (distance) C4'-P energy: -77.624
bonds (distance) P-C4' energy: -69.535
flat angles C4'-P-C4' energy: -66.246
flat angles P-C4'-P energy: -40.266
tors. eta vs tors. theta energy: -13.263
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 126
Temperature: 1.250000
Total energy: -413.918906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.918906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -413.918906 (E_RNA)
where:
Base-Base interactions energy: -142.132
where: short stacking energy: -132.913
Base-Backbone interact. energy: -1.449
local terms energy: -270.337377
where:
bonds (distance) C4'-P energy: -75.035
bonds (distance) P-C4' energy: -78.669
flat angles C4'-P-C4' energy: -72.907
flat angles P-C4'-P energy: -39.251
tors. eta vs tors. theta energy: -4.476
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: 3
=====================================
Write number: 126
Temperature: 1.300000
Total energy: -372.883212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -372.883212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -372.883212 (E_RNA)
where:
Base-Base interactions energy: -123.081
where: short stacking energy: -94.681
Base-Backbone interact. energy: 1.675
local terms energy: -251.477973
where:
bonds (distance) C4'-P energy: -73.446
bonds (distance) P-C4' energy: -90.249
flat angles C4'-P-C4' energy: -64.620
flat angles P-C4'-P energy: -37.114
tors. eta vs tors. theta energy: 13.952
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 126
Temperature: 1.350000
Total energy: -353.421401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.421401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.421401 (E_RNA)
where:
Base-Base interactions energy: -93.979
where: short stacking energy: -79.377
Base-Backbone interact. energy: -0.071
local terms energy: -259.371974
where:
bonds (distance) C4'-P energy: -82.889
bonds (distance) P-C4' energy: -87.319
flat angles C4'-P-C4' energy: -65.323
flat angles P-C4'-P energy: -32.468
tors. eta vs tors. theta energy: 8.628
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 127
Temperature: 0.900000
Total energy: -1231.213798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1231.213798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1231.213798 (E_RNA)
where:
Base-Base interactions energy: -753.274
where: short stacking energy: -441.205
Base-Backbone interact. energy: -1.747
local terms energy: -476.193473
where:
bonds (distance) C4'-P energy: -103.892
bonds (distance) P-C4' energy: -92.017
flat angles C4'-P-C4' energy: -102.033
flat angles P-C4'-P energy: -48.483
tors. eta vs tors. theta energy: -129.768
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 127
Temperature: 0.950000
Total energy: -1097.191987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1097.191987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1097.191987 (E_RNA)
where:
Base-Base interactions energy: -647.048
where: short stacking energy: -391.434
Base-Backbone interact. energy: 0.141
local terms energy: -450.284941
where:
bonds (distance) C4'-P energy: -80.195
bonds (distance) P-C4' energy: -95.091
flat angles C4'-P-C4' energy: -94.233
flat angles P-C4'-P energy: -68.656
tors. eta vs tors. theta energy: -112.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 127
Temperature: 1.000000
Total energy: -966.589134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -966.589134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -966.589134 (E_RNA)
where:
Base-Base interactions energy: -525.643
where: short stacking energy: -322.463
Base-Backbone interact. energy: -1.303
local terms energy: -439.642811
where:
bonds (distance) C4'-P energy: -97.727
bonds (distance) P-C4' energy: -94.822
flat angles C4'-P-C4' energy: -95.026
flat angles P-C4'-P energy: -61.532
tors. eta vs tors. theta energy: -90.536
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: 4, replica: 7
=====================================
Write number: 127
Temperature: 1.050000
Total energy: -791.177735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -791.177735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -791.177735 (E_RNA)
where:
Base-Base interactions energy: -402.466
where: short stacking energy: -268.512
Base-Backbone interact. energy: -1.522
local terms energy: -387.190072
where:
bonds (distance) C4'-P energy: -83.782
bonds (distance) P-C4' energy: -92.799
flat angles C4'-P-C4' energy: -88.185
flat angles P-C4'-P energy: -57.991
tors. eta vs tors. theta energy: -64.433
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: 5, replica: 6
=====================================
Write number: 127
Temperature: 1.100000
Total energy: -672.183493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -672.183493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -672.183493 (E_RNA)
where:
Base-Base interactions energy: -304.469
where: short stacking energy: -216.943
Base-Backbone interact. energy: -2.096
local terms energy: -365.617715
where:
bonds (distance) C4'-P energy: -91.327
bonds (distance) P-C4' energy: -87.053
flat angles C4'-P-C4' energy: -86.782
flat angles P-C4'-P energy: -56.936
tors. eta vs tors. theta energy: -43.520
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 127
Temperature: 1.150000
Total energy: -536.734980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.734980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.734980 (E_RNA)
where:
Base-Base interactions energy: -215.622
where: short stacking energy: -170.008
Base-Backbone interact. energy: -1.691
local terms energy: -319.421618
where:
bonds (distance) C4'-P energy: -64.546
bonds (distance) P-C4' energy: -89.501
flat angles C4'-P-C4' energy: -85.308
flat angles P-C4'-P energy: -57.105
tors. eta vs tors. theta energy: -22.962
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 127
Temperature: 1.200000
Total energy: -454.597292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -454.597292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -454.597292 (E_RNA)
where:
Base-Base interactions energy: -187.553
where: short stacking energy: -115.893
Base-Backbone interact. energy: 3.289
local terms energy: -270.333747
where:
bonds (distance) C4'-P energy: -88.824
bonds (distance) P-C4' energy: -83.172
flat angles C4'-P-C4' energy: -62.777
flat angles P-C4'-P energy: -44.584
tors. eta vs tors. theta energy: 9.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 127
Temperature: 1.250000
Total energy: -424.963532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -424.963532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -424.963532 (E_RNA)
where:
Base-Base interactions energy: -146.506
where: short stacking energy: -133.751
Base-Backbone interact. energy: 0.659
local terms energy: -279.117460
where:
bonds (distance) C4'-P energy: -75.551
bonds (distance) P-C4' energy: -78.808
flat angles C4'-P-C4' energy: -77.902
flat angles P-C4'-P energy: -40.527
tors. eta vs tors. theta energy: -6.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 127
Temperature: 1.300000
Total energy: -364.961934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.961934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.961934 (E_RNA)
where:
Base-Base interactions energy: -98.974
where: short stacking energy: -82.429
Base-Backbone interact. energy: -1.892
local terms energy: -264.096420
where:
bonds (distance) C4'-P energy: -65.289
bonds (distance) P-C4' energy: -82.078
flat angles C4'-P-C4' energy: -73.348
flat angles P-C4'-P energy: -45.549
tors. eta vs tors. theta energy: 2.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 127
Temperature: 1.350000
Total energy: -349.456439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.456439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.456439 (E_RNA)
where:
Base-Base interactions energy: -107.141
where: short stacking energy: -86.008
Base-Backbone interact. energy: -2.413
local terms energy: -239.902327
where:
bonds (distance) C4'-P energy: -75.281
bonds (distance) P-C4' energy: -81.459
flat angles C4'-P-C4' energy: -65.410
flat angles P-C4'-P energy: -33.888
tors. eta vs tors. theta energy: 16.135
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: 1
=====================================
Write number: 128
Temperature: 0.900000
Total energy: -1233.411412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1233.411412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1233.411412 (E_RNA)
where:
Base-Base interactions energy: -751.207
where: short stacking energy: -429.610
Base-Backbone interact. energy: -2.017
local terms energy: -480.187915
where:
bonds (distance) C4'-P energy: -80.325
bonds (distance) P-C4' energy: -95.425
flat angles C4'-P-C4' energy: -105.112
flat angles P-C4'-P energy: -72.164
tors. eta vs tors. theta energy: -127.163
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: 4
=====================================
Write number: 128
Temperature: 0.950000
Total energy: -1076.706821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1076.706821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1076.706821 (E_RNA)
where:
Base-Base interactions energy: -641.899
where: short stacking energy: -360.030
Base-Backbone interact. energy: -1.803
local terms energy: -433.005432
where:
bonds (distance) C4'-P energy: -86.890
bonds (distance) P-C4' energy: -89.791
flat angles C4'-P-C4' energy: -94.379
flat angles P-C4'-P energy: -63.356
tors. eta vs tors. theta energy: -98.590
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 128
Temperature: 1.000000
Total energy: -928.749217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -928.749217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -928.749217 (E_RNA)
where:
Base-Base interactions energy: -509.830
where: short stacking energy: -309.789
Base-Backbone interact. energy: -5.445
local terms energy: -413.473426
where:
bonds (distance) C4'-P energy: -80.620
bonds (distance) P-C4' energy: -88.845
flat angles C4'-P-C4' energy: -96.779
flat angles P-C4'-P energy: -65.648
tors. eta vs tors. theta energy: -81.581
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 128
Temperature: 1.050000
Total energy: -765.015099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -765.015099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -765.015099 (E_RNA)
where:
Base-Base interactions energy: -406.786
where: short stacking energy: -253.674
Base-Backbone interact. energy: -0.380
local terms energy: -357.849601
where:
bonds (distance) C4'-P energy: -78.654
bonds (distance) P-C4' energy: -94.135
flat angles C4'-P-C4' energy: -89.098
flat angles P-C4'-P energy: -51.159
tors. eta vs tors. theta energy: -44.804
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: 6
=====================================
Write number: 128
Temperature: 1.100000
Total energy: -642.415368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -642.415368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -642.415368 (E_RNA)
where:
Base-Base interactions energy: -316.931
where: short stacking energy: -207.966
Base-Backbone interact. energy: 0.278
local terms energy: -325.762754
where:
bonds (distance) C4'-P energy: -81.936
bonds (distance) P-C4' energy: -72.708
flat angles C4'-P-C4' energy: -92.338
flat angles P-C4'-P energy: -46.305
tors. eta vs tors. theta energy: -32.475
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: 9
=====================================
Write number: 128
Temperature: 1.150000
Total energy: -540.935770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.935770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.935770 (E_RNA)
where:
Base-Base interactions energy: -232.332
where: short stacking energy: -170.684
Base-Backbone interact. energy: -0.133
local terms energy: -308.470429
where:
bonds (distance) C4'-P energy: -77.949
bonds (distance) P-C4' energy: -100.022
flat angles C4'-P-C4' energy: -72.669
flat angles P-C4'-P energy: -37.664
tors. eta vs tors. theta energy: -20.165
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 128
Temperature: 1.200000
Total energy: -481.929335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.929335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -481.929335 (E_RNA)
where:
Base-Base interactions energy: -199.733
where: short stacking energy: -171.689
Base-Backbone interact. energy: -0.027
local terms energy: -282.168765
where:
bonds (distance) C4'-P energy: -79.187
bonds (distance) P-C4' energy: -87.463
flat angles C4'-P-C4' energy: -67.574
flat angles P-C4'-P energy: -41.412
tors. eta vs tors. theta energy: -6.533
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 128
Temperature: 1.250000
Total energy: -406.019904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.019904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -406.019904 (E_RNA)
where:
Base-Base interactions energy: -150.222
where: short stacking energy: -124.985
Base-Backbone interact. energy: 2.813
local terms energy: -258.611046
where:
bonds (distance) C4'-P energy: -86.360
bonds (distance) P-C4' energy: -70.623
flat angles C4'-P-C4' energy: -66.294
flat angles P-C4'-P energy: -45.876
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: 9, replica: 3
=====================================
Write number: 128
Temperature: 1.300000
Total energy: -431.737988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -431.737988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -431.737988 (E_RNA)
where:
Base-Base interactions energy: -149.562
where: short stacking energy: -148.808
Base-Backbone interact. energy: -0.384
local terms energy: -281.791971
where:
bonds (distance) C4'-P energy: -76.600
bonds (distance) P-C4' energy: -70.159
flat angles C4'-P-C4' energy: -64.983
flat angles P-C4'-P energy: -49.075
tors. eta vs tors. theta energy: -20.975
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 128
Temperature: 1.350000
Total energy: -346.149401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.149401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.149401 (E_RNA)
where:
Base-Base interactions energy: -101.039
where: short stacking energy: -93.905
Base-Backbone interact. energy: 0.333
local terms energy: -245.443306
where:
bonds (distance) C4'-P energy: -84.017
bonds (distance) P-C4' energy: -86.976
flat angles C4'-P-C4' energy: -64.253
flat angles P-C4'-P energy: -27.864
tors. eta vs tors. theta energy: 17.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 129
Temperature: 0.900000
Total energy: -1234.487453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1234.487453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1234.487453 (E_RNA)
where:
Base-Base interactions energy: -736.056
where: short stacking energy: -439.706
Base-Backbone interact. energy: -1.238
local terms energy: -497.192940
where:
bonds (distance) C4'-P energy: -94.377
bonds (distance) P-C4' energy: -96.674
flat angles C4'-P-C4' energy: -96.711
flat angles P-C4'-P energy: -69.903
tors. eta vs tors. theta energy: -139.528
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: 2, replica: 4
=====================================
Write number: 129
Temperature: 0.950000
Total energy: -1080.960991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1080.960991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1080.960991 (E_RNA)
where:
Base-Base interactions energy: -609.163
where: short stacking energy: -369.867
Base-Backbone interact. energy: -0.198
local terms energy: -471.600032
where:
bonds (distance) C4'-P energy: -92.462
bonds (distance) P-C4' energy: -96.976
flat angles C4'-P-C4' energy: -99.281
flat angles P-C4'-P energy: -64.164
tors. eta vs tors. theta energy: -118.717
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 129
Temperature: 1.000000
Total energy: -935.036185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -935.036185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -935.036185 (E_RNA)
where:
Base-Base interactions energy: -512.471
where: short stacking energy: -305.072
Base-Backbone interact. energy: -3.032
local terms energy: -419.532888
where:
bonds (distance) C4'-P energy: -98.566
bonds (distance) P-C4' energy: -81.224
flat angles C4'-P-C4' energy: -102.081
flat angles P-C4'-P energy: -57.451
tors. eta vs tors. theta energy: -80.210
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 129
Temperature: 1.050000
Total energy: -822.531114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -822.531114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -822.531114 (E_RNA)
where:
Base-Base interactions energy: -411.928
where: short stacking energy: -277.795
Base-Backbone interact. energy: 2.168
local terms energy: -412.771040
where:
bonds (distance) C4'-P energy: -78.655
bonds (distance) P-C4' energy: -104.380
flat angles C4'-P-C4' energy: -90.801
flat angles P-C4'-P energy: -53.639
tors. eta vs tors. theta energy: -85.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 129
Temperature: 1.100000
Total energy: -672.002972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -672.002972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -672.002972 (E_RNA)
where:
Base-Base interactions energy: -339.777
where: short stacking energy: -221.203
Base-Backbone interact. energy: 0.515
local terms energy: -332.741364
where:
bonds (distance) C4'-P energy: -75.848
bonds (distance) P-C4' energy: -86.511
flat angles C4'-P-C4' energy: -79.737
flat angles P-C4'-P energy: -53.897
tors. eta vs tors. theta energy: -36.748
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 129
Temperature: 1.150000
Total energy: -568.655974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -568.655974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -568.655974 (E_RNA)
where:
Base-Base interactions energy: -243.209
where: short stacking energy: -192.591
Base-Backbone interact. energy: -0.890
local terms energy: -324.557277
where:
bonds (distance) C4'-P energy: -77.131
bonds (distance) P-C4' energy: -88.132
flat angles C4'-P-C4' energy: -65.326
flat angles P-C4'-P energy: -51.557
tors. eta vs tors. theta energy: -42.412
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: 9
=====================================
Write number: 129
Temperature: 1.200000
Total energy: -494.915912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.915912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.915912 (E_RNA)
where:
Base-Base interactions energy: -198.797
where: short stacking energy: -147.527
Base-Backbone interact. energy: -0.294
local terms energy: -295.825630
where:
bonds (distance) C4'-P energy: -68.755
bonds (distance) P-C4' energy: -83.909
flat angles C4'-P-C4' energy: -85.330
flat angles P-C4'-P energy: -56.984
tors. eta vs tors. theta energy: -0.848
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: 3
=====================================
Write number: 129
Temperature: 1.250000
Total energy: -400.002995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -400.002995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -400.002995 (E_RNA)
where:
Base-Base interactions energy: -141.443
where: short stacking energy: -128.457
Base-Backbone interact. energy: -3.689
local terms energy: -254.871115
where:
bonds (distance) C4'-P energy: -80.869
bonds (distance) P-C4' energy: -68.984
flat angles C4'-P-C4' energy: -67.698
flat angles P-C4'-P energy: -43.170
tors. eta vs tors. theta energy: 5.851
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 129
Temperature: 1.300000
Total energy: -370.567485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.567485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.567485 (E_RNA)
where:
Base-Base interactions energy: -128.156
where: short stacking energy: -119.464
Base-Backbone interact. energy: -1.555
local terms energy: -240.856631
where:
bonds (distance) C4'-P energy: -76.205
bonds (distance) P-C4' energy: -67.420
flat angles C4'-P-C4' energy: -64.997
flat angles P-C4'-P energy: -44.229
tors. eta vs tors. theta energy: 11.996
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: 129
Temperature: 1.350000
Total energy: -337.003752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.003752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.003752 (E_RNA)
where:
Base-Base interactions energy: -88.514
where: short stacking energy: -84.748
Base-Backbone interact. energy: 6.318
local terms energy: -254.807125
where:
bonds (distance) C4'-P energy: -73.275
bonds (distance) P-C4' energy: -84.474
flat angles C4'-P-C4' energy: -66.495
flat angles P-C4'-P energy: -43.423
tors. eta vs tors. theta energy: 12.861
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 130
Temperature: 0.900000
Total energy: -1246.003253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1246.003253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1246.003253 (E_RNA)
where:
Base-Base interactions energy: -756.313
where: short stacking energy: -447.087
Base-Backbone interact. energy: -2.003
local terms energy: -487.687363
where:
bonds (distance) C4'-P energy: -94.779
bonds (distance) P-C4' energy: -95.279
flat angles C4'-P-C4' energy: -107.502
flat angles P-C4'-P energy: -61.202
tors. eta vs tors. theta energy: -128.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 130
Temperature: 0.950000
Total energy: -1073.706395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1073.706395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1073.706395 (E_RNA)
where:
Base-Base interactions energy: -638.031
where: short stacking energy: -365.296
Base-Backbone interact. energy: -1.326
local terms energy: -434.349494
where:
bonds (distance) C4'-P energy: -92.030
bonds (distance) P-C4' energy: -79.553
flat angles C4'-P-C4' energy: -105.501
flat angles P-C4'-P energy: -53.420
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: 2
=====================================
Write number: 130
Temperature: 1.000000
Total energy: -965.487711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -965.487711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -965.487711 (E_RNA)
where:
Base-Base interactions energy: -539.681
where: short stacking energy: -347.788
Base-Backbone interact. energy: -2.652
local terms energy: -423.154402
where:
bonds (distance) C4'-P energy: -89.970
bonds (distance) P-C4' energy: -82.501
flat angles C4'-P-C4' energy: -88.271
flat angles P-C4'-P energy: -65.435
tors. eta vs tors. theta energy: -96.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 130
Temperature: 1.050000
Total energy: -807.609768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -807.609768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -807.609768 (E_RNA)
where:
Base-Base interactions energy: -434.967
where: short stacking energy: -281.817
Base-Backbone interact. energy: -1.243
local terms energy: -371.399986
where:
bonds (distance) C4'-P energy: -88.171
bonds (distance) P-C4' energy: -95.220
flat angles C4'-P-C4' energy: -83.427
flat angles P-C4'-P energy: -50.032
tors. eta vs tors. theta energy: -54.549
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 130
Temperature: 1.100000
Total energy: -658.872935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -658.872935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -658.872935 (E_RNA)
where:
Base-Base interactions energy: -298.623
where: short stacking energy: -219.196
Base-Backbone interact. energy: -1.041
local terms energy: -359.209288
where:
bonds (distance) C4'-P energy: -87.988
bonds (distance) P-C4' energy: -76.022
flat angles C4'-P-C4' energy: -81.163
flat angles P-C4'-P energy: -64.657
tors. eta vs tors. theta energy: -49.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 130
Temperature: 1.150000
Total energy: -494.976774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.976774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.976774 (E_RNA)
where:
Base-Base interactions energy: -184.659
where: short stacking energy: -153.863
Base-Backbone interact. energy: 1.565
local terms energy: -311.882266
where:
bonds (distance) C4'-P energy: -83.276
bonds (distance) P-C4' energy: -90.353
flat angles C4'-P-C4' energy: -77.093
flat angles P-C4'-P energy: -44.421
tors. eta vs tors. theta energy: -16.740
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 130
Temperature: 1.200000
Total energy: -540.020512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.020512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.020512 (E_RNA)
where:
Base-Base interactions energy: -226.469
where: short stacking energy: -160.573
Base-Backbone interact. energy: -2.280
local terms energy: -311.271413
where:
bonds (distance) C4'-P energy: -79.401
bonds (distance) P-C4' energy: -77.532
flat angles C4'-P-C4' energy: -81.680
flat angles P-C4'-P energy: -53.900
tors. eta vs tors. theta energy: -18.758
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 130
Temperature: 1.250000
Total energy: -438.598986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -438.598986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -438.598986 (E_RNA)
where:
Base-Base interactions energy: -153.804
where: short stacking energy: -146.788
Base-Backbone interact. energy: 1.944
local terms energy: -286.738937
where:
bonds (distance) C4'-P energy: -64.882
bonds (distance) P-C4' energy: -93.070
flat angles C4'-P-C4' energy: -85.723
flat angles P-C4'-P energy: -44.198
tors. eta vs tors. theta energy: 1.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 130
Temperature: 1.300000
Total energy: -414.199650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.199650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.199650 (E_RNA)
where:
Base-Base interactions energy: -149.311
where: short stacking energy: -110.678
Base-Backbone interact. energy: 1.628
local terms energy: -266.517183
where:
bonds (distance) C4'-P energy: -68.436
bonds (distance) P-C4' energy: -86.822
flat angles C4'-P-C4' energy: -66.282
flat angles P-C4'-P energy: -38.618
tors. eta vs tors. theta energy: -6.360
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 130
Temperature: 1.350000
Total energy: -401.795408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -401.795408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -401.795408 (E_RNA)
where:
Base-Base interactions energy: -140.723
where: short stacking energy: -130.647
Base-Backbone interact. energy: 4.170
local terms energy: -265.241555
where:
bonds (distance) C4'-P energy: -79.211
bonds (distance) P-C4' energy: -80.819
flat angles C4'-P-C4' energy: -73.503
flat angles P-C4'-P energy: -36.513
tors. eta vs tors. theta energy: 4.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 131
Temperature: 0.900000
Total energy: -1224.521040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1224.521040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1224.521040 (E_RNA)
where:
Base-Base interactions energy: -744.185
where: short stacking energy: -425.660
Base-Backbone interact. energy: -0.467
local terms energy: -479.869138
where:
bonds (distance) C4'-P energy: -93.013
bonds (distance) P-C4' energy: -98.666
flat angles C4'-P-C4' energy: -96.785
flat angles P-C4'-P energy: -72.535
tors. eta vs tors. theta energy: -118.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 131
Temperature: 0.950000
Total energy: -1079.609751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1079.609751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1079.609751 (E_RNA)
where:
Base-Base interactions energy: -632.876
where: short stacking energy: -380.356
Base-Backbone interact. energy: -1.581
local terms energy: -445.152605
where:
bonds (distance) C4'-P energy: -94.374
bonds (distance) P-C4' energy: -90.196
flat angles C4'-P-C4' energy: -101.824
flat angles P-C4'-P energy: -56.502
tors. eta vs tors. theta energy: -102.257
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: 2
=====================================
Write number: 131
Temperature: 1.000000
Total energy: -957.169016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -957.169016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -957.169016 (E_RNA)
where:
Base-Base interactions energy: -530.021
where: short stacking energy: -319.214
Base-Backbone interact. energy: -1.278
local terms energy: -425.869982
where:
bonds (distance) C4'-P energy: -94.452
bonds (distance) P-C4' energy: -86.826
flat angles C4'-P-C4' energy: -93.896
flat angles P-C4'-P energy: -73.658
tors. eta vs tors. theta energy: -77.038
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: 4, replica: 7
=====================================
Write number: 131
Temperature: 1.050000
Total energy: -812.654741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -812.654741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -812.654741 (E_RNA)
where:
Base-Base interactions energy: -434.068
where: short stacking energy: -294.401
Base-Backbone interact. energy: -1.094
local terms energy: -377.493185
where:
bonds (distance) C4'-P energy: -83.782
bonds (distance) P-C4' energy: -78.728
flat angles C4'-P-C4' energy: -92.560
flat angles P-C4'-P energy: -44.641
tors. eta vs tors. theta energy: -77.782
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: 131
Temperature: 1.100000
Total energy: -629.559023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -629.559023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -629.559023 (E_RNA)
where:
Base-Base interactions energy: -287.067
where: short stacking energy: -205.752
Base-Backbone interact. energy: 2.153
local terms energy: -344.644603
where:
bonds (distance) C4'-P energy: -100.251
bonds (distance) P-C4' energy: -77.892
flat angles C4'-P-C4' energy: -90.232
flat angles P-C4'-P energy: -51.451
tors. eta vs tors. theta energy: -24.818
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 131
Temperature: 1.150000
Total energy: -524.679406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.679406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.679406 (E_RNA)
where:
Base-Base interactions energy: -207.401
where: short stacking energy: -173.871
Base-Backbone interact. energy: 2.733
local terms energy: -320.011991
where:
bonds (distance) C4'-P energy: -84.145
bonds (distance) P-C4' energy: -88.116
flat angles C4'-P-C4' energy: -76.816
flat angles P-C4'-P energy: -43.646
tors. eta vs tors. theta energy: -27.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 131
Temperature: 1.200000
Total energy: -549.468380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.468380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.468380 (E_RNA)
where:
Base-Base interactions energy: -220.960
where: short stacking energy: -168.051
Base-Backbone interact. energy: 1.731
local terms energy: -330.239695
where:
bonds (distance) C4'-P energy: -82.098
bonds (distance) P-C4' energy: -91.068
flat angles C4'-P-C4' energy: -97.313
flat angles P-C4'-P energy: -38.429
tors. eta vs tors. theta energy: -21.331
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: 3
=====================================
Write number: 131
Temperature: 1.250000
Total energy: -449.900555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -449.900555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -449.900555 (E_RNA)
where:
Base-Base interactions energy: -170.522
where: short stacking energy: -150.409
Base-Backbone interact. energy: -2.696
local terms energy: -276.683290
where:
bonds (distance) C4'-P energy: -79.966
bonds (distance) P-C4' energy: -91.177
flat angles C4'-P-C4' energy: -71.937
flat angles P-C4'-P energy: -15.965
tors. eta vs tors. theta energy: -17.638
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: 10
=====================================
Write number: 131
Temperature: 1.300000
Total energy: -376.692933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -376.692933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -376.692933 (E_RNA)
where:
Base-Base interactions energy: -112.568
where: short stacking energy: -104.797
Base-Backbone interact. energy: 3.845
local terms energy: -267.969653
where:
bonds (distance) C4'-P energy: -88.203
bonds (distance) P-C4' energy: -98.360
flat angles C4'-P-C4' energy: -60.637
flat angles P-C4'-P energy: -39.729
tors. eta vs tors. theta energy: 18.960
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 131
Temperature: 1.350000
Total energy: -365.629242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.629242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.629242 (E_RNA)
where:
Base-Base interactions energy: -104.726
where: short stacking energy: -94.162
Base-Backbone interact. energy: -0.177
local terms energy: -260.726561
where:
bonds (distance) C4'-P energy: -75.250
bonds (distance) P-C4' energy: -85.126
flat angles C4'-P-C4' energy: -64.676
flat angles P-C4'-P energy: -37.756
tors. eta vs tors. theta energy: 2.082
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 132
Temperature: 0.900000
Total energy: -1221.664483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1221.664483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1221.664483 (E_RNA)
where:
Base-Base interactions energy: -731.037
where: short stacking energy: -423.692
Base-Backbone interact. energy: -1.232
local terms energy: -489.394997
where:
bonds (distance) C4'-P energy: -100.428
bonds (distance) P-C4' energy: -89.386
flat angles C4'-P-C4' energy: -105.594
flat angles P-C4'-P energy: -68.154
tors. eta vs tors. theta energy: -125.833
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 132
Temperature: 0.950000
Total energy: -1095.992010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1095.992010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1095.992010 (E_RNA)
where:
Base-Base interactions energy: -634.614
where: short stacking energy: -366.078
Base-Backbone interact. energy: -0.043
local terms energy: -461.335186
where:
bonds (distance) C4'-P energy: -83.341
bonds (distance) P-C4' energy: -86.475
flat angles C4'-P-C4' energy: -103.004
flat angles P-C4'-P energy: -65.526
tors. eta vs tors. theta energy: -122.990
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: 2
=====================================
Write number: 132
Temperature: 1.000000
Total energy: -941.270921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -941.270921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -941.270921 (E_RNA)
where:
Base-Base interactions energy: -519.187
where: short stacking energy: -319.342
Base-Backbone interact. energy: -2.802
local terms energy: -419.281801
where:
bonds (distance) C4'-P energy: -78.684
bonds (distance) P-C4' energy: -100.507
flat angles C4'-P-C4' energy: -99.392
flat angles P-C4'-P energy: -55.802
tors. eta vs tors. theta energy: -84.897
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 132
Temperature: 1.050000
Total energy: -750.837178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -750.837178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -750.837178 (E_RNA)
where:
Base-Base interactions energy: -369.497
where: short stacking energy: -247.729
Base-Backbone interact. energy: -0.710
local terms energy: -380.629823
where:
bonds (distance) C4'-P energy: -74.437
bonds (distance) P-C4' energy: -95.669
flat angles C4'-P-C4' energy: -92.520
flat angles P-C4'-P energy: -57.878
tors. eta vs tors. theta energy: -60.125
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: 6
=====================================
Write number: 132
Temperature: 1.100000
Total energy: -620.068228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -620.068228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -620.068228 (E_RNA)
where:
Base-Base interactions energy: -273.644
where: short stacking energy: -209.294
Base-Backbone interact. energy: -0.066
local terms energy: -346.358298
where:
bonds (distance) C4'-P energy: -95.219
bonds (distance) P-C4' energy: -91.171
flat angles C4'-P-C4' energy: -79.397
flat angles P-C4'-P energy: -50.027
tors. eta vs tors. theta energy: -30.544
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: 9
=====================================
Write number: 132
Temperature: 1.150000
Total energy: -546.454267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.454267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.454267 (E_RNA)
where:
Base-Base interactions energy: -236.307
where: short stacking energy: -167.937
Base-Backbone interact. energy: -2.162
local terms energy: -307.985953
where:
bonds (distance) C4'-P energy: -86.701
bonds (distance) P-C4' energy: -76.611
flat angles C4'-P-C4' energy: -78.571
flat angles P-C4'-P energy: -39.083
tors. eta vs tors. theta energy: -27.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 132
Temperature: 1.200000
Total energy: -441.493631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -441.493631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -441.493631 (E_RNA)
where:
Base-Base interactions energy: -151.308
where: short stacking energy: -138.114
Base-Backbone interact. energy: -1.339
local terms energy: -288.846576
where:
bonds (distance) C4'-P energy: -58.954
bonds (distance) P-C4' energy: -78.891
flat angles C4'-P-C4' energy: -82.933
flat angles P-C4'-P energy: -52.939
tors. eta vs tors. theta energy: -15.129
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 132
Temperature: 1.250000
Total energy: -429.727351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -429.727351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -429.727351 (E_RNA)
where:
Base-Base interactions energy: -139.057
where: short stacking energy: -119.637
Base-Backbone interact. energy: 2.217
local terms energy: -292.887550
where:
bonds (distance) C4'-P energy: -77.812
bonds (distance) P-C4' energy: -84.308
flat angles C4'-P-C4' energy: -87.213
flat angles P-C4'-P energy: -50.067
tors. eta vs tors. theta energy: 6.513
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 132
Temperature: 1.300000
Total energy: -366.125122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.125122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.125122 (E_RNA)
where:
Base-Base interactions energy: -111.406
where: short stacking energy: -90.613
Base-Backbone interact. energy: -0.366
local terms energy: -254.352548
where:
bonds (distance) C4'-P energy: -72.893
bonds (distance) P-C4' energy: -81.431
flat angles C4'-P-C4' energy: -69.209
flat angles P-C4'-P energy: -52.726
tors. eta vs tors. theta energy: 21.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 132
Temperature: 1.350000
Total energy: -333.817888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.817888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.817888 (E_RNA)
where:
Base-Base interactions energy: -119.004
where: short stacking energy: -103.318
Base-Backbone interact. energy: -1.412
local terms energy: -213.401576
where:
bonds (distance) C4'-P energy: -60.485
bonds (distance) P-C4' energy: -65.684
flat angles C4'-P-C4' energy: -64.675
flat angles P-C4'-P energy: -29.899
tors. eta vs tors. theta energy: 7.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 133
Temperature: 0.900000
Total energy: -1236.311642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1236.311642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1236.311642 (E_RNA)
where:
Base-Base interactions energy: -750.221
where: short stacking energy: -428.580
Base-Backbone interact. energy: -1.589
local terms energy: -484.501177
where:
bonds (distance) C4'-P energy: -89.862
bonds (distance) P-C4' energy: -106.612
flat angles C4'-P-C4' energy: -102.234
flat angles P-C4'-P energy: -64.763
tors. eta vs tors. theta energy: -121.031
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: 4
=====================================
Write number: 133
Temperature: 0.950000
Total energy: -1063.790648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1063.790648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1063.790648 (E_RNA)
where:
Base-Base interactions energy: -613.999
where: short stacking energy: -372.486
Base-Backbone interact. energy: -0.004
local terms energy: -449.787417
where:
bonds (distance) C4'-P energy: -84.047
bonds (distance) P-C4' energy: -89.363
flat angles C4'-P-C4' energy: -98.994
flat angles P-C4'-P energy: -65.519
tors. eta vs tors. theta energy: -111.865
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 133
Temperature: 1.000000
Total energy: -901.881168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -901.881168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -901.881168 (E_RNA)
where:
Base-Base interactions energy: -492.984
where: short stacking energy: -301.876
Base-Backbone interact. energy: -2.157
local terms energy: -406.739954
where:
bonds (distance) C4'-P energy: -87.433
bonds (distance) P-C4' energy: -93.885
flat angles C4'-P-C4' energy: -94.987
flat angles P-C4'-P energy: -54.283
tors. eta vs tors. theta energy: -76.152
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: 7
=====================================
Write number: 133
Temperature: 1.050000
Total energy: -731.080983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -731.080983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -731.080983 (E_RNA)
where:
Base-Base interactions energy: -367.515
where: short stacking energy: -257.712
Base-Backbone interact. energy: -0.287
local terms energy: -363.279081
where:
bonds (distance) C4'-P energy: -79.966
bonds (distance) P-C4' energy: -86.711
flat angles C4'-P-C4' energy: -80.960
flat angles P-C4'-P energy: -57.827
tors. eta vs tors. theta energy: -57.815
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 133
Temperature: 1.100000
Total energy: -651.179005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -651.179005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -651.179005 (E_RNA)
where:
Base-Base interactions energy: -314.277
where: short stacking energy: -220.170
Base-Backbone interact. energy: 0.666
local terms energy: -337.568185
where:
bonds (distance) C4'-P energy: -87.227
bonds (distance) P-C4' energy: -83.147
flat angles C4'-P-C4' energy: -68.925
flat angles P-C4'-P energy: -65.852
tors. eta vs tors. theta energy: -32.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 133
Temperature: 1.150000
Total energy: -498.179466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.179466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.179466 (E_RNA)
where:
Base-Base interactions energy: -192.757
where: short stacking energy: -137.502
Base-Backbone interact. energy: 0.263
local terms energy: -305.685511
where:
bonds (distance) C4'-P energy: -72.797
bonds (distance) P-C4' energy: -90.119
flat angles C4'-P-C4' energy: -71.259
flat angles P-C4'-P energy: -51.607
tors. eta vs tors. theta energy: -19.904
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 133
Temperature: 1.200000
Total energy: -489.630590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -489.630590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -489.630590 (E_RNA)
where:
Base-Base interactions energy: -203.876
where: short stacking energy: -180.785
Base-Backbone interact. energy: -0.975
local terms energy: -284.779751
where:
bonds (distance) C4'-P energy: -70.033
bonds (distance) P-C4' energy: -94.183
flat angles C4'-P-C4' energy: -71.205
flat angles P-C4'-P energy: -30.879
tors. eta vs tors. theta energy: -18.480
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 133
Temperature: 1.250000
Total energy: -426.581911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -426.581911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -426.581911 (E_RNA)
where:
Base-Base interactions energy: -171.215
where: short stacking energy: -158.678
Base-Backbone interact. energy: 2.086
local terms energy: -257.452822
where:
bonds (distance) C4'-P energy: -68.668
bonds (distance) P-C4' energy: -79.005
flat angles C4'-P-C4' energy: -61.206
flat angles P-C4'-P energy: -33.586
tors. eta vs tors. theta energy: -14.987
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 133
Temperature: 1.300000
Total energy: -377.234060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -377.234060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -377.234060 (E_RNA)
where:
Base-Base interactions energy: -118.891
where: short stacking energy: -104.760
Base-Backbone interact. energy: -2.325
local terms energy: -256.018579
where:
bonds (distance) C4'-P energy: -62.888
bonds (distance) P-C4' energy: -89.090
flat angles C4'-P-C4' energy: -77.747
flat angles P-C4'-P energy: -33.475
tors. eta vs tors. theta energy: 7.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 133
Temperature: 1.350000
Total energy: -326.309985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.309985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.309985 (E_RNA)
where:
Base-Base interactions energy: -84.141
where: short stacking energy: -79.835
Base-Backbone interact. energy: -0.977
local terms energy: -241.191625
where:
bonds (distance) C4'-P energy: -76.466
bonds (distance) P-C4' energy: -66.949
flat angles C4'-P-C4' energy: -65.418
flat angles P-C4'-P energy: -42.135
tors. eta vs tors. theta energy: 9.776
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: 134
Temperature: 0.900000
Total energy: -1208.547672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1208.547672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1208.547672 (E_RNA)
where:
Base-Base interactions energy: -739.928
where: short stacking energy: -404.314
Base-Backbone interact. energy: -1.385
local terms energy: -467.234067
where:
bonds (distance) C4'-P energy: -84.647
bonds (distance) P-C4' energy: -96.007
flat angles C4'-P-C4' energy: -110.024
flat angles P-C4'-P energy: -60.095
tors. eta vs tors. theta energy: -116.460
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: 4
=====================================
Write number: 134
Temperature: 0.950000
Total energy: -1088.372706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1088.372706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1088.372706 (E_RNA)
where:
Base-Base interactions energy: -639.871
where: short stacking energy: -394.534
Base-Backbone interact. energy: 1.641
local terms energy: -450.142505
where:
bonds (distance) C4'-P energy: -84.857
bonds (distance) P-C4' energy: -92.515
flat angles C4'-P-C4' energy: -101.363
flat angles P-C4'-P energy: -66.219
tors. eta vs tors. theta energy: -105.189
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 134
Temperature: 1.000000
Total energy: -934.602012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -934.602012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -934.602012 (E_RNA)
where:
Base-Base interactions energy: -539.461
where: short stacking energy: -320.382
Base-Backbone interact. energy: -3.664
local terms energy: -391.476612
where:
bonds (distance) C4'-P energy: -80.878
bonds (distance) P-C4' energy: -85.729
flat angles C4'-P-C4' energy: -89.391
flat angles P-C4'-P energy: -58.812
tors. eta vs tors. theta energy: -76.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 134
Temperature: 1.050000
Total energy: -767.209213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -767.209213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -767.209213 (E_RNA)
where:
Base-Base interactions energy: -404.703
where: short stacking energy: -263.396
Base-Backbone interact. energy: 1.236
local terms energy: -363.741911
where:
bonds (distance) C4'-P energy: -91.230
bonds (distance) P-C4' energy: -84.964
flat angles C4'-P-C4' energy: -83.147
flat angles P-C4'-P energy: -44.730
tors. eta vs tors. theta energy: -59.671
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 134
Temperature: 1.100000
Total energy: -637.417949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -637.417949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -637.417949 (E_RNA)
where:
Base-Base interactions energy: -315.174
where: short stacking energy: -234.119
Base-Backbone interact. energy: 3.045
local terms energy: -325.289096
where:
bonds (distance) C4'-P energy: -73.407
bonds (distance) P-C4' energy: -83.524
flat angles C4'-P-C4' energy: -86.199
flat angles P-C4'-P energy: -49.580
tors. eta vs tors. theta energy: -32.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 134
Temperature: 1.150000
Total energy: -502.484829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.484829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.484829 (E_RNA)
where:
Base-Base interactions energy: -193.463
where: short stacking energy: -157.334
Base-Backbone interact. energy: -0.442
local terms energy: -308.580444
where:
bonds (distance) C4'-P energy: -79.097
bonds (distance) P-C4' energy: -87.528
flat angles C4'-P-C4' energy: -69.963
flat angles P-C4'-P energy: -48.072
tors. eta vs tors. theta energy: -23.921
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: 5
=====================================
Write number: 134
Temperature: 1.200000
Total energy: -476.491256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.491256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.491256 (E_RNA)
where:
Base-Base interactions energy: -209.434
where: short stacking energy: -158.059
Base-Backbone interact. energy: 0.866
local terms energy: -267.922712
where:
bonds (distance) C4'-P energy: -75.793
bonds (distance) P-C4' energy: -81.637
flat angles C4'-P-C4' energy: -57.040
flat angles P-C4'-P energy: -41.982
tors. eta vs tors. theta energy: -11.471
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: 3
=====================================
Write number: 134
Temperature: 1.250000
Total energy: -439.393864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -439.393864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -439.393864 (E_RNA)
where:
Base-Base interactions energy: -157.715
where: short stacking energy: -135.964
Base-Backbone interact. energy: 0.380
local terms energy: -282.059038
where:
bonds (distance) C4'-P energy: -76.534
bonds (distance) P-C4' energy: -83.612
flat angles C4'-P-C4' energy: -73.187
flat angles P-C4'-P energy: -44.398
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: 10
=====================================
Write number: 134
Temperature: 1.300000
Total energy: -413.686991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.686991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -413.686991 (E_RNA)
where:
Base-Base interactions energy: -143.188
where: short stacking energy: -127.874
Base-Backbone interact. energy: 1.397
local terms energy: -271.895295
where:
bonds (distance) C4'-P energy: -82.641
bonds (distance) P-C4' energy: -73.782
flat angles C4'-P-C4' energy: -69.599
flat angles P-C4'-P energy: -46.448
tors. eta vs tors. theta energy: 0.574
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 134
Temperature: 1.350000
Total energy: -347.895914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.895914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.895914 (E_RNA)
where:
Base-Base interactions energy: -108.724
where: short stacking energy: -104.899
Base-Backbone interact. energy: 0.592
local terms energy: -239.763660
where:
bonds (distance) C4'-P energy: -66.709
bonds (distance) P-C4' energy: -75.650
flat angles C4'-P-C4' energy: -62.708
flat angles P-C4'-P energy: -44.002
tors. eta vs tors. theta energy: 9.306
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 135
Temperature: 0.900000
Total energy: -1207.210079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1207.210079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1207.210079 (E_RNA)
where:
Base-Base interactions energy: -731.698
where: short stacking energy: -420.256
Base-Backbone interact. energy: -2.864
local terms energy: -472.648556
where:
bonds (distance) C4'-P energy: -92.974
bonds (distance) P-C4' energy: -91.082
flat angles C4'-P-C4' energy: -101.984
flat angles P-C4'-P energy: -64.362
tors. eta vs tors. theta energy: -122.246
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 135
Temperature: 0.950000
Total energy: -1111.972529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1111.972529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1111.972529 (E_RNA)
where:
Base-Base interactions energy: -645.630
where: short stacking energy: -393.976
Base-Backbone interact. energy: -0.660
local terms energy: -465.682003
where:
bonds (distance) C4'-P energy: -85.060
bonds (distance) P-C4' energy: -88.767
flat angles C4'-P-C4' energy: -100.839
flat angles P-C4'-P energy: -73.622
tors. eta vs tors. theta energy: -117.392
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: 2
=====================================
Write number: 135
Temperature: 1.000000
Total energy: -980.839131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -980.839131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -980.839131 (E_RNA)
where:
Base-Base interactions energy: -538.902
where: short stacking energy: -323.477
Base-Backbone interact. energy: -1.451
local terms energy: -440.486204
where:
bonds (distance) C4'-P energy: -103.359
bonds (distance) P-C4' energy: -87.359
flat angles C4'-P-C4' energy: -94.522
flat angles P-C4'-P energy: -69.666
tors. eta vs tors. theta energy: -85.580
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: 4, replica: 7
=====================================
Write number: 135
Temperature: 1.050000
Total energy: -721.645357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -721.645357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -721.645357 (E_RNA)
where:
Base-Base interactions energy: -375.728
where: short stacking energy: -257.518
Base-Backbone interact. energy: -0.287
local terms energy: -345.629562
where:
bonds (distance) C4'-P energy: -63.369
bonds (distance) P-C4' energy: -87.820
flat angles C4'-P-C4' energy: -82.004
flat angles P-C4'-P energy: -67.625
tors. eta vs tors. theta energy: -44.811
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 135
Temperature: 1.100000
Total energy: -690.352901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -690.352901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -690.352901 (E_RNA)
where:
Base-Base interactions energy: -322.632
where: short stacking energy: -197.209
Base-Backbone interact. energy: -0.831
local terms energy: -366.889795
where:
bonds (distance) C4'-P energy: -96.453
bonds (distance) P-C4' energy: -85.878
flat angles C4'-P-C4' energy: -77.271
flat angles P-C4'-P energy: -71.292
tors. eta vs tors. theta energy: -35.997
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 135
Temperature: 1.150000
Total energy: -576.938657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -576.938657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -576.938657 (E_RNA)
where:
Base-Base interactions energy: -242.594
where: short stacking energy: -191.869
Base-Backbone interact. energy: -1.502
local terms energy: -332.842736
where:
bonds (distance) C4'-P energy: -82.596
bonds (distance) P-C4' energy: -99.261
flat angles C4'-P-C4' energy: -71.775
flat angles P-C4'-P energy: -55.826
tors. eta vs tors. theta energy: -23.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 135
Temperature: 1.200000
Total energy: -444.541473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -444.541473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -444.541473 (E_RNA)
where:
Base-Base interactions energy: -170.837
where: short stacking energy: -127.519
Base-Backbone interact. energy: 2.260
local terms energy: -275.964914
where:
bonds (distance) C4'-P energy: -81.879
bonds (distance) P-C4' energy: -67.095
flat angles C4'-P-C4' energy: -82.711
flat angles P-C4'-P energy: -47.447
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: 8, replica: 3
=====================================
Write number: 135
Temperature: 1.250000
Total energy: -439.491568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -439.491568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -439.491568 (E_RNA)
where:
Base-Base interactions energy: -202.236
where: short stacking energy: -129.692
Base-Backbone interact. energy: -1.184
local terms energy: -236.071392
where:
bonds (distance) C4'-P energy: -70.400
bonds (distance) P-C4' energy: -61.640
flat angles C4'-P-C4' energy: -66.032
flat angles P-C4'-P energy: -46.868
tors. eta vs tors. theta energy: 8.868
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 135
Temperature: 1.300000
Total energy: -370.372160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.372160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.372160 (E_RNA)
where:
Base-Base interactions energy: -116.097
where: short stacking energy: -104.395
Base-Backbone interact. energy: -1.855
local terms energy: -252.420436
where:
bonds (distance) C4'-P energy: -68.345
bonds (distance) P-C4' energy: -82.068
flat angles C4'-P-C4' energy: -56.890
flat angles P-C4'-P energy: -52.900
tors. eta vs tors. theta energy: 7.783
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 135
Temperature: 1.350000
Total energy: -344.994833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.994833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.994833 (E_RNA)
where:
Base-Base interactions energy: -90.409
where: short stacking energy: -85.793
Base-Backbone interact. energy: 0.973
local terms energy: -255.558532
where:
bonds (distance) C4'-P energy: -74.080
bonds (distance) P-C4' energy: -95.903
flat angles C4'-P-C4' energy: -64.140
flat angles P-C4'-P energy: -37.173
tors. eta vs tors. theta energy: 15.737
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 136
Temperature: 0.900000
Total energy: -1217.317757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1217.317757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1217.317757 (E_RNA)
where:
Base-Base interactions energy: -730.673
where: short stacking energy: -426.603
Base-Backbone interact. energy: 0.250
local terms energy: -486.894740
where:
bonds (distance) C4'-P energy: -97.975
bonds (distance) P-C4' energy: -94.153
flat angles C4'-P-C4' energy: -104.167
flat angles P-C4'-P energy: -58.490
tors. eta vs tors. theta energy: -132.110
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: 2, replica: 4
=====================================
Write number: 136
Temperature: 0.950000
Total energy: -1098.678909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1098.678909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1098.678909 (E_RNA)
where:
Base-Base interactions energy: -644.896
where: short stacking energy: -399.967
Base-Backbone interact. energy: -0.203
local terms energy: -453.580169
where:
bonds (distance) C4'-P energy: -78.850
bonds (distance) P-C4' energy: -94.606
flat angles C4'-P-C4' energy: -95.020
flat angles P-C4'-P energy: -67.207
tors. eta vs tors. theta energy: -117.897
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: 2
=====================================
Write number: 136
Temperature: 1.000000
Total energy: -964.168743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -964.168743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -964.168743 (E_RNA)
where:
Base-Base interactions energy: -545.115
where: short stacking energy: -327.614
Base-Backbone interact. energy: -0.737
local terms energy: -418.316103
where:
bonds (distance) C4'-P energy: -74.462
bonds (distance) P-C4' energy: -100.866
flat angles C4'-P-C4' energy: -91.489
flat angles P-C4'-P energy: -58.296
tors. eta vs tors. theta energy: -93.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 136
Temperature: 1.050000
Total energy: -773.301121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -773.301121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -773.301121 (E_RNA)
where:
Base-Base interactions energy: -395.294
where: short stacking energy: -238.164
Base-Backbone interact. energy: 6.112
local terms energy: -384.118416
where:
bonds (distance) C4'-P energy: -78.950
bonds (distance) P-C4' energy: -96.203
flat angles C4'-P-C4' energy: -91.330
flat angles P-C4'-P energy: -63.237
tors. eta vs tors. theta energy: -54.399
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: 136
Temperature: 1.100000
Total energy: -671.951334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -671.951334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -671.951334 (E_RNA)
where:
Base-Base interactions energy: -339.719
where: short stacking energy: -210.772
Base-Backbone interact. energy: 3.037
local terms energy: -335.269308
where:
bonds (distance) C4'-P energy: -78.383
bonds (distance) P-C4' energy: -92.477
flat angles C4'-P-C4' energy: -80.643
flat angles P-C4'-P energy: -44.442
tors. eta vs tors. theta energy: -39.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 136
Temperature: 1.150000
Total energy: -589.725057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -589.725057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -589.725057 (E_RNA)
where:
Base-Base interactions energy: -268.550
where: short stacking energy: -201.198
Base-Backbone interact. energy: 4.551
local terms energy: -325.726045
where:
bonds (distance) C4'-P energy: -73.031
bonds (distance) P-C4' energy: -98.668
flat angles C4'-P-C4' energy: -83.495
flat angles P-C4'-P energy: -42.207
tors. eta vs tors. theta energy: -28.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 136
Temperature: 1.200000
Total energy: -476.296897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.296897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.296897 (E_RNA)
where:
Base-Base interactions energy: -187.587
where: short stacking energy: -154.633
Base-Backbone interact. energy: 1.233
local terms energy: -289.942661
where:
bonds (distance) C4'-P energy: -78.330
bonds (distance) P-C4' energy: -86.226
flat angles C4'-P-C4' energy: -73.270
flat angles P-C4'-P energy: -35.941
tors. eta vs tors. theta energy: -16.175
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: 8, replica: 9
=====================================
Write number: 136
Temperature: 1.250000
Total energy: -435.896994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -435.896994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -435.896994 (E_RNA)
where:
Base-Base interactions energy: -152.072
where: short stacking energy: -140.454
Base-Backbone interact. energy: -1.244
local terms energy: -282.581346
where:
bonds (distance) C4'-P energy: -85.154
bonds (distance) P-C4' energy: -79.563
flat angles C4'-P-C4' energy: -70.670
flat angles P-C4'-P energy: -39.788
tors. eta vs tors. theta energy: -7.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 136
Temperature: 1.300000
Total energy: -366.565425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.565425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.565425 (E_RNA)
where:
Base-Base interactions energy: -117.015
where: short stacking energy: -100.499
Base-Backbone interact. energy: 0.905
local terms energy: -250.456322
where:
bonds (distance) C4'-P energy: -86.281
bonds (distance) P-C4' energy: -81.571
flat angles C4'-P-C4' energy: -65.699
flat angles P-C4'-P energy: -29.758
tors. eta vs tors. theta energy: 12.853
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: 10, replica: 10
=====================================
Write number: 136
Temperature: 1.350000
Total energy: -353.761667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.761667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.761667 (E_RNA)
where:
Base-Base interactions energy: -122.892
where: short stacking energy: -113.223
Base-Backbone interact. energy: 1.925
local terms energy: -232.794405
where:
bonds (distance) C4'-P energy: -60.701
bonds (distance) P-C4' energy: -88.961
flat angles C4'-P-C4' energy: -53.486
flat angles P-C4'-P energy: -42.345
tors. eta vs tors. theta energy: 12.700
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: 1, replica: 1
=====================================
Write number: 137
Temperature: 0.900000
Total energy: -1211.614464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1211.614464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1211.614464 (E_RNA)
where:
Base-Base interactions energy: -724.077
where: short stacking energy: -404.900
Base-Backbone interact. energy: 0.674
local terms energy: -488.211397
where:
bonds (distance) C4'-P energy: -93.290
bonds (distance) P-C4' energy: -107.377
flat angles C4'-P-C4' energy: -101.270
flat angles P-C4'-P energy: -69.922
tors. eta vs tors. theta energy: -116.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 137
Temperature: 0.950000
Total energy: -1054.920950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1054.920950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1054.920950 (E_RNA)
where:
Base-Base interactions energy: -591.168
where: short stacking energy: -377.534
Base-Backbone interact. energy: -0.545
local terms energy: -463.208083
where:
bonds (distance) C4'-P energy: -93.171
bonds (distance) P-C4' energy: -90.346
flat angles C4'-P-C4' energy: -96.970
flat angles P-C4'-P energy: -67.364
tors. eta vs tors. theta energy: -115.357
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 137
Temperature: 1.000000
Total energy: -945.071098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -945.071098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -945.071098 (E_RNA)
where:
Base-Base interactions energy: -519.423
where: short stacking energy: -319.978
Base-Backbone interact. energy: 0.882
local terms energy: -426.530445
where:
bonds (distance) C4'-P energy: -82.285
bonds (distance) P-C4' energy: -87.036
flat angles C4'-P-C4' energy: -93.603
flat angles P-C4'-P energy: -75.403
tors. eta vs tors. theta energy: -88.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 137
Temperature: 1.050000
Total energy: -751.784183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -751.784183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -751.784183 (E_RNA)
where:
Base-Base interactions energy: -385.092
where: short stacking energy: -262.328
Base-Backbone interact. energy: -1.104
local terms energy: -365.588641
where:
bonds (distance) C4'-P energy: -96.053
bonds (distance) P-C4' energy: -91.104
flat angles C4'-P-C4' energy: -86.324
flat angles P-C4'-P energy: -49.831
tors. eta vs tors. theta energy: -42.276
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: 137
Temperature: 1.100000
Total energy: -704.459326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -704.459326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -704.459326 (E_RNA)
where:
Base-Base interactions energy: -333.756
where: short stacking energy: -220.773
Base-Backbone interact. energy: -1.240
local terms energy: -369.463561
where:
bonds (distance) C4'-P energy: -83.556
bonds (distance) P-C4' energy: -86.741
flat angles C4'-P-C4' energy: -89.893
flat angles P-C4'-P energy: -62.446
tors. eta vs tors. theta energy: -46.827
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 137
Temperature: 1.150000
Total energy: -568.739991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -568.739991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -568.739991 (E_RNA)
where:
Base-Base interactions energy: -260.198
where: short stacking energy: -184.269
Base-Backbone interact. energy: -0.992
local terms energy: -307.550446
where:
bonds (distance) C4'-P energy: -75.248
bonds (distance) P-C4' energy: -81.846
flat angles C4'-P-C4' energy: -83.695
flat angles P-C4'-P energy: -43.062
tors. eta vs tors. theta energy: -23.699
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 137
Temperature: 1.200000
Total energy: -458.039160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -458.039160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -458.039160 (E_RNA)
where:
Base-Base interactions energy: -184.837
where: short stacking energy: -137.030
Base-Backbone interact. energy: 0.438
local terms energy: -273.640092
where:
bonds (distance) C4'-P energy: -76.053
bonds (distance) P-C4' energy: -71.226
flat angles C4'-P-C4' energy: -76.339
flat angles P-C4'-P energy: -38.498
tors. eta vs tors. theta energy: -11.523
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: 9
=====================================
Write number: 137
Temperature: 1.250000
Total energy: -393.311263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.311263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -393.311263 (E_RNA)
where:
Base-Base interactions energy: -129.028
where: short stacking energy: -126.612
Base-Backbone interact. energy: -0.731
local terms energy: -263.552047
where:
bonds (distance) C4'-P energy: -70.455
bonds (distance) P-C4' energy: -86.390
flat angles C4'-P-C4' energy: -66.612
flat angles P-C4'-P energy: -38.417
tors. eta vs tors. theta energy: -1.679
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: 137
Temperature: 1.300000
Total energy: -379.606103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -379.606103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -379.606103 (E_RNA)
where:
Base-Base interactions energy: -118.678
where: short stacking energy: -109.150
Base-Backbone interact. energy: -0.230
local terms energy: -260.697783
where:
bonds (distance) C4'-P energy: -90.222
bonds (distance) P-C4' energy: -70.247
flat angles C4'-P-C4' energy: -73.579
flat angles P-C4'-P energy: -45.774
tors. eta vs tors. theta energy: 19.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 137
Temperature: 1.350000
Total energy: -343.962460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.962460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.962460 (E_RNA)
where:
Base-Base interactions energy: -91.269
where: short stacking energy: -82.599
Base-Backbone interact. energy: 0.640
local terms energy: -253.333339
where:
bonds (distance) C4'-P energy: -80.890
bonds (distance) P-C4' energy: -74.682
flat angles C4'-P-C4' energy: -61.093
flat angles P-C4'-P energy: -39.658
tors. eta vs tors. theta energy: 2.990
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: 1
=====================================
Write number: 138
Temperature: 0.900000
Total energy: -1170.895161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1170.895161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1170.895161 (E_RNA)
where:
Base-Base interactions energy: -718.022
where: short stacking energy: -388.244
Base-Backbone interact. energy: -1.102
local terms energy: -451.771643
where:
bonds (distance) C4'-P energy: -93.693
bonds (distance) P-C4' energy: -97.570
flat angles C4'-P-C4' energy: -86.503
flat angles P-C4'-P energy: -62.646
tors. eta vs tors. theta energy: -111.360
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: 4
=====================================
Write number: 138
Temperature: 0.950000
Total energy: -1074.116717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1074.116717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1074.116717 (E_RNA)
where:
Base-Base interactions energy: -588.683
where: short stacking energy: -382.399
Base-Backbone interact. energy: -0.571
local terms energy: -484.862026
where:
bonds (distance) C4'-P energy: -91.008
bonds (distance) P-C4' energy: -93.864
flat angles C4'-P-C4' energy: -105.695
flat angles P-C4'-P energy: -73.618
tors. eta vs tors. theta energy: -120.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 138
Temperature: 1.000000
Total energy: -956.402988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -956.402988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -956.402988 (E_RNA)
where:
Base-Base interactions energy: -521.211
where: short stacking energy: -322.175
Base-Backbone interact. energy: -0.804
local terms energy: -434.387809
where:
bonds (distance) C4'-P energy: -95.869
bonds (distance) P-C4' energy: -97.363
flat angles C4'-P-C4' energy: -91.511
flat angles P-C4'-P energy: -63.849
tors. eta vs tors. theta energy: -85.795
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 138
Temperature: 1.050000
Total energy: -759.749168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -759.749168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -759.749168 (E_RNA)
where:
Base-Base interactions energy: -401.277
where: short stacking energy: -257.811
Base-Backbone interact. energy: -1.279
local terms energy: -357.193439
where:
bonds (distance) C4'-P energy: -84.954
bonds (distance) P-C4' energy: -83.198
flat angles C4'-P-C4' energy: -90.089
flat angles P-C4'-P energy: -52.447
tors. eta vs tors. theta energy: -46.505
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: 5
=====================================
Write number: 138
Temperature: 1.100000
Total energy: -606.119070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -606.119070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -606.119070 (E_RNA)
where:
Base-Base interactions energy: -265.985
where: short stacking energy: -186.389
Base-Backbone interact. energy: 1.365
local terms energy: -341.499232
where:
bonds (distance) C4'-P energy: -79.323
bonds (distance) P-C4' energy: -94.295
flat angles C4'-P-C4' energy: -81.002
flat angles P-C4'-P energy: -57.135
tors. eta vs tors. theta energy: -29.744
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 138
Temperature: 1.150000
Total energy: -605.989518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -605.989518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -605.989518 (E_RNA)
where:
Base-Base interactions energy: -275.176
where: short stacking energy: -178.252
Base-Backbone interact. energy: -0.918
local terms energy: -329.895647
where:
bonds (distance) C4'-P energy: -82.117
bonds (distance) P-C4' energy: -88.091
flat angles C4'-P-C4' energy: -80.236
flat angles P-C4'-P energy: -46.049
tors. eta vs tors. theta energy: -33.402
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: 3
=====================================
Write number: 138
Temperature: 1.200000
Total energy: -462.345765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.345765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -462.345765 (E_RNA)
where:
Base-Base interactions energy: -186.121
where: short stacking energy: -140.278
Base-Backbone interact. energy: -2.655
local terms energy: -273.569596
where:
bonds (distance) C4'-P energy: -70.260
bonds (distance) P-C4' energy: -85.402
flat angles C4'-P-C4' energy: -64.241
flat angles P-C4'-P energy: -54.170
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: 9
=====================================
Write number: 138
Temperature: 1.250000
Total energy: -406.457620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.457620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -406.457620 (E_RNA)
where:
Base-Base interactions energy: -134.206
where: short stacking energy: -115.556
Base-Backbone interact. energy: -1.615
local terms energy: -270.636325
where:
bonds (distance) C4'-P energy: -76.338
bonds (distance) P-C4' energy: -79.747
flat angles C4'-P-C4' energy: -76.481
flat angles P-C4'-P energy: -37.054
tors. eta vs tors. theta energy: -1.016
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: 10
=====================================
Write number: 138
Temperature: 1.300000
Total energy: -413.470020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.470020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -413.470020 (E_RNA)
where:
Base-Base interactions energy: -144.388
where: short stacking energy: -116.681
Base-Backbone interact. energy: 2.128
local terms energy: -271.210225
where:
bonds (distance) C4'-P energy: -75.417
bonds (distance) P-C4' energy: -81.580
flat angles C4'-P-C4' energy: -81.609
flat angles P-C4'-P energy: -46.259
tors. eta vs tors. theta energy: 13.655
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 138
Temperature: 1.350000
Total energy: -339.029930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.029930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.029930 (E_RNA)
where:
Base-Base interactions energy: -97.433
where: short stacking energy: -85.062
Base-Backbone interact. energy: -2.133
local terms energy: -239.463301
where:
bonds (distance) C4'-P energy: -63.840
bonds (distance) P-C4' energy: -87.710
flat angles C4'-P-C4' energy: -66.610
flat angles P-C4'-P energy: -43.633
tors. eta vs tors. theta energy: 22.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 139
Temperature: 0.900000
Total energy: -1174.018074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1174.018074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1174.018074 (E_RNA)
where:
Base-Base interactions energy: -697.144
where: short stacking energy: -395.443
Base-Backbone interact. energy: -3.024
local terms energy: -473.850674
where:
bonds (distance) C4'-P energy: -102.486
bonds (distance) P-C4' energy: -76.934
flat angles C4'-P-C4' energy: -100.408
flat angles P-C4'-P energy: -75.268
tors. eta vs tors. theta energy: -118.755
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: 4
=====================================
Write number: 139
Temperature: 0.950000
Total energy: -1096.220436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1096.220436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1096.220436 (E_RNA)
where:
Base-Base interactions energy: -616.893
where: short stacking energy: -400.487
Base-Backbone interact. energy: -1.123
local terms energy: -478.204956
where:
bonds (distance) C4'-P energy: -95.010
bonds (distance) P-C4' energy: -99.390
flat angles C4'-P-C4' energy: -103.109
flat angles P-C4'-P energy: -61.317
tors. eta vs tors. theta energy: -119.379
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 139
Temperature: 1.000000
Total energy: -876.048086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -876.048086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -876.048086 (E_RNA)
where:
Base-Base interactions energy: -467.238
where: short stacking energy: -296.391
Base-Backbone interact. energy: 0.138
local terms energy: -408.947706
where:
bonds (distance) C4'-P energy: -99.396
bonds (distance) P-C4' energy: -97.767
flat angles C4'-P-C4' energy: -87.811
flat angles P-C4'-P energy: -50.072
tors. eta vs tors. theta energy: -73.902
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: 7
=====================================
Write number: 139
Temperature: 1.050000
Total energy: -748.970869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -748.970869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -748.970869 (E_RNA)
where:
Base-Base interactions energy: -379.143
where: short stacking energy: -248.657
Base-Backbone interact. energy: 1.355
local terms energy: -371.183160
where:
bonds (distance) C4'-P energy: -92.563
bonds (distance) P-C4' energy: -80.000
flat angles C4'-P-C4' energy: -86.113
flat angles P-C4'-P energy: -63.507
tors. eta vs tors. theta energy: -49.000
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: 5, replica: 5
=====================================
Write number: 139
Temperature: 1.100000
Total energy: -631.425575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -631.425575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -631.425575 (E_RNA)
where:
Base-Base interactions energy: -284.903
where: short stacking energy: -200.739
Base-Backbone interact. energy: -1.005
local terms energy: -345.517079
where:
bonds (distance) C4'-P energy: -93.123
bonds (distance) P-C4' energy: -89.286
flat angles C4'-P-C4' energy: -73.086
flat angles P-C4'-P energy: -50.793
tors. eta vs tors. theta energy: -39.228
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: 6
=====================================
Write number: 139
Temperature: 1.150000
Total energy: -634.652731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -634.652731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -634.652731 (E_RNA)
where:
Base-Base interactions energy: -318.150
where: short stacking energy: -213.479
Base-Backbone interact. energy: -0.804
local terms energy: -315.698780
where:
bonds (distance) C4'-P energy: -82.519
bonds (distance) P-C4' energy: -88.515
flat angles C4'-P-C4' energy: -69.193
flat angles P-C4'-P energy: -45.128
tors. eta vs tors. theta energy: -30.344
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: 3
=====================================
Write number: 139
Temperature: 1.200000
Total energy: -458.318822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -458.318822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -458.318822 (E_RNA)
where:
Base-Base interactions energy: -183.779
where: short stacking energy: -107.646
Base-Backbone interact. energy: -0.955
local terms energy: -273.584287
where:
bonds (distance) C4'-P energy: -71.806
bonds (distance) P-C4' energy: -89.913
flat angles C4'-P-C4' energy: -76.490
flat angles P-C4'-P energy: -47.838
tors. eta vs tors. theta energy: 12.463
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 139
Temperature: 1.250000
Total energy: -420.968696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.968696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -420.968696 (E_RNA)
where:
Base-Base interactions energy: -139.572
where: short stacking energy: -131.967
Base-Backbone interact. energy: -2.587
local terms energy: -278.809796
where:
bonds (distance) C4'-P energy: -72.044
bonds (distance) P-C4' energy: -83.494
flat angles C4'-P-C4' energy: -63.372
flat angles P-C4'-P energy: -57.285
tors. eta vs tors. theta energy: -2.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 139
Temperature: 1.300000
Total energy: -371.748679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.748679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.748679 (E_RNA)
where:
Base-Base interactions energy: -128.200
where: short stacking energy: -124.741
Base-Backbone interact. energy: 1.445
local terms energy: -244.993317
where:
bonds (distance) C4'-P energy: -78.426
bonds (distance) P-C4' energy: -77.260
flat angles C4'-P-C4' energy: -65.536
flat angles P-C4'-P energy: -29.044
tors. eta vs tors. theta energy: 5.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 139
Temperature: 1.350000
Total energy: -366.332791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.332791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.332791 (E_RNA)
where:
Base-Base interactions energy: -109.506
where: short stacking energy: -105.676
Base-Backbone interact. energy: -1.059
local terms energy: -255.768586
where:
bonds (distance) C4'-P energy: -76.219
bonds (distance) P-C4' energy: -88.346
flat angles C4'-P-C4' energy: -67.314
flat angles P-C4'-P energy: -41.857
tors. eta vs tors. theta energy: 17.968
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 140
Temperature: 0.900000
Total energy: -1212.555083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1212.555083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1212.555083 (E_RNA)
where:
Base-Base interactions energy: -728.003
where: short stacking energy: -421.491
Base-Backbone interact. energy: -1.207
local terms energy: -483.344314
where:
bonds (distance) C4'-P energy: -94.584
bonds (distance) P-C4' energy: -93.434
flat angles C4'-P-C4' energy: -101.465
flat angles P-C4'-P energy: -68.786
tors. eta vs tors. theta energy: -125.075
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: 4
=====================================
Write number: 140
Temperature: 0.950000
Total energy: -1075.406037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1075.406037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1075.406037 (E_RNA)
where:
Base-Base interactions energy: -617.708
where: short stacking energy: -397.805
Base-Backbone interact. energy: -1.435
local terms energy: -456.263602
where:
bonds (distance) C4'-P energy: -86.955
bonds (distance) P-C4' energy: -102.369
flat angles C4'-P-C4' energy: -90.585
flat angles P-C4'-P energy: -60.002
tors. eta vs tors. theta energy: -116.352
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: 2
=====================================
Write number: 140
Temperature: 1.000000
Total energy: -970.494468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -970.494468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -970.494468 (E_RNA)
where:
Base-Base interactions energy: -546.537
where: short stacking energy: -333.172
Base-Backbone interact. energy: -1.187
local terms energy: -422.771061
where:
bonds (distance) C4'-P energy: -94.103
bonds (distance) P-C4' energy: -95.581
flat angles C4'-P-C4' energy: -90.947
flat angles P-C4'-P energy: -52.895
tors. eta vs tors. theta energy: -89.246
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 140
Temperature: 1.050000
Total energy: -715.914939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -715.914939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -715.914939 (E_RNA)
where:
Base-Base interactions energy: -356.741
where: short stacking energy: -254.783
Base-Backbone interact. energy: -0.873
local terms energy: -358.300963
where:
bonds (distance) C4'-P energy: -87.770
bonds (distance) P-C4' energy: -88.681
flat angles C4'-P-C4' energy: -65.604
flat angles P-C4'-P energy: -58.488
tors. eta vs tors. theta energy: -57.757
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: 140
Temperature: 1.100000
Total energy: -743.539549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -743.539549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -743.539549 (E_RNA)
where:
Base-Base interactions energy: -389.840
where: short stacking energy: -249.900
Base-Backbone interact. energy: -1.947
local terms energy: -351.752576
where:
bonds (distance) C4'-P energy: -72.923
bonds (distance) P-C4' energy: -93.545
flat angles C4'-P-C4' energy: -89.688
flat angles P-C4'-P energy: -50.154
tors. eta vs tors. theta energy: -45.442
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: 5
=====================================
Write number: 140
Temperature: 1.150000
Total energy: -609.899627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -609.899627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -609.899627 (E_RNA)
where:
Base-Base interactions energy: -289.333
where: short stacking energy: -198.453
Base-Backbone interact. energy: -2.532
local terms energy: -318.034749
where:
bonds (distance) C4'-P energy: -78.610
bonds (distance) P-C4' energy: -76.152
flat angles C4'-P-C4' energy: -92.364
flat angles P-C4'-P energy: -39.942
tors. eta vs tors. theta energy: -30.966
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 140
Temperature: 1.200000
Total energy: -426.450861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -426.450861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -426.450861 (E_RNA)
where:
Base-Base interactions energy: -135.715
where: short stacking energy: -114.793
Base-Backbone interact. energy: 0.394
local terms energy: -291.129850
where:
bonds (distance) C4'-P energy: -85.539
bonds (distance) P-C4' energy: -69.771
flat angles C4'-P-C4' energy: -91.112
flat angles P-C4'-P energy: -40.504
tors. eta vs tors. theta energy: -4.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 140
Temperature: 1.250000
Total energy: -424.673135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -424.673135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -424.673135 (E_RNA)
where:
Base-Base interactions energy: -156.280
where: short stacking energy: -124.280
Base-Backbone interact. energy: 0.227
local terms energy: -268.620567
where:
bonds (distance) C4'-P energy: -82.689
bonds (distance) P-C4' energy: -66.716
flat angles C4'-P-C4' energy: -71.023
flat angles P-C4'-P energy: -40.064
tors. eta vs tors. theta energy: -8.129
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 140
Temperature: 1.300000
Total energy: -394.059515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -394.059515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -394.059515 (E_RNA)
where:
Base-Base interactions energy: -127.727
where: short stacking energy: -116.576
Base-Backbone interact. energy: -1.634
local terms energy: -264.699104
where:
bonds (distance) C4'-P energy: -73.062
bonds (distance) P-C4' energy: -79.676
flat angles C4'-P-C4' energy: -82.702
flat angles P-C4'-P energy: -42.685
tors. eta vs tors. theta energy: 13.426
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: 8
=====================================
Write number: 140
Temperature: 1.350000
Total energy: -347.694468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.694468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.694468 (E_RNA)
where:
Base-Base interactions energy: -91.390
where: short stacking energy: -85.265
Base-Backbone interact. energy: -0.734
local terms energy: -255.570594
where:
bonds (distance) C4'-P energy: -82.938
bonds (distance) P-C4' energy: -91.328
flat angles C4'-P-C4' energy: -61.198
flat angles P-C4'-P energy: -27.555
tors. eta vs tors. theta energy: 7.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 141
Temperature: 0.900000
Total energy: -1245.065389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1245.065389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1245.065389 (E_RNA)
where:
Base-Base interactions energy: -756.527
where: short stacking energy: -443.834
Base-Backbone interact. energy: -0.733
local terms energy: -487.805660
where:
bonds (distance) C4'-P energy: -90.787
bonds (distance) P-C4' energy: -102.525
flat angles C4'-P-C4' energy: -96.296
flat angles P-C4'-P energy: -68.474
tors. eta vs tors. theta energy: -129.723
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: 141
Temperature: 0.950000
Total energy: -1022.521313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1022.521313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1022.521313 (E_RNA)
where:
Base-Base interactions energy: -592.096
where: short stacking energy: -364.332
Base-Backbone interact. energy: 1.593
local terms energy: -432.018352
where:
bonds (distance) C4'-P energy: -81.061
bonds (distance) P-C4' energy: -98.705
flat angles C4'-P-C4' energy: -93.098
flat angles P-C4'-P energy: -65.552
tors. eta vs tors. theta energy: -93.602
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: 3, replica: 2
=====================================
Write number: 141
Temperature: 1.000000
Total energy: -977.105671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -977.105671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -977.105671 (E_RNA)
where:
Base-Base interactions energy: -566.898
where: short stacking energy: -336.370
Base-Backbone interact. energy: -1.805
local terms energy: -408.402279
where:
bonds (distance) C4'-P energy: -88.339
bonds (distance) P-C4' energy: -88.309
flat angles C4'-P-C4' energy: -88.956
flat angles P-C4'-P energy: -59.204
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: 6
=====================================
Write number: 141
Temperature: 1.050000
Total energy: -797.382770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -797.382770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -797.382770 (E_RNA)
where:
Base-Base interactions energy: -401.730
where: short stacking energy: -242.239
Base-Backbone interact. energy: 0.618
local terms energy: -396.270360
where:
bonds (distance) C4'-P energy: -87.571
bonds (distance) P-C4' energy: -93.004
flat angles C4'-P-C4' energy: -92.223
flat angles P-C4'-P energy: -58.422
tors. eta vs tors. theta energy: -65.050
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: 7
=====================================
Write number: 141
Temperature: 1.100000
Total energy: -677.520906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -677.520906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -677.520906 (E_RNA)
where:
Base-Base interactions energy: -327.756
where: short stacking energy: -227.667
Base-Backbone interact. energy: -1.541
local terms energy: -348.223999
where:
bonds (distance) C4'-P energy: -73.856
bonds (distance) P-C4' energy: -84.677
flat angles C4'-P-C4' energy: -85.552
flat angles P-C4'-P energy: -62.725
tors. eta vs tors. theta energy: -41.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 141
Temperature: 1.150000
Total energy: -625.937050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -625.937050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -625.937050 (E_RNA)
where:
Base-Base interactions energy: -308.916
where: short stacking energy: -198.208
Base-Backbone interact. energy: 0.386
local terms energy: -317.406602
where:
bonds (distance) C4'-P energy: -77.016
bonds (distance) P-C4' energy: -83.558
flat angles C4'-P-C4' energy: -78.195
flat angles P-C4'-P energy: -47.525
tors. eta vs tors. theta energy: -31.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 141
Temperature: 1.200000
Total energy: -468.228450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -468.228450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -468.228450 (E_RNA)
where:
Base-Base interactions energy: -164.814
where: short stacking energy: -145.253
Base-Backbone interact. energy: 2.458
local terms energy: -305.872718
where:
bonds (distance) C4'-P energy: -77.561
bonds (distance) P-C4' energy: -88.259
flat angles C4'-P-C4' energy: -70.538
flat angles P-C4'-P energy: -56.537
tors. eta vs tors. theta energy: -12.976
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 141
Temperature: 1.250000
Total energy: -426.128329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -426.128329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -426.128329 (E_RNA)
where:
Base-Base interactions energy: -148.642
where: short stacking energy: -125.704
Base-Backbone interact. energy: -2.222
local terms energy: -275.263951
where:
bonds (distance) C4'-P energy: -77.927
bonds (distance) P-C4' energy: -84.521
flat angles C4'-P-C4' energy: -63.649
flat angles P-C4'-P energy: -41.654
tors. eta vs tors. theta energy: -7.513
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 141
Temperature: 1.300000
Total energy: -394.048801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -394.048801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -394.048801 (E_RNA)
where:
Base-Base interactions energy: -139.361
where: short stacking energy: -120.084
Base-Backbone interact. energy: 0.464
local terms energy: -255.151988
where:
bonds (distance) C4'-P energy: -84.391
bonds (distance) P-C4' energy: -72.917
flat angles C4'-P-C4' energy: -55.733
flat angles P-C4'-P energy: -44.657
tors. eta vs tors. theta energy: 2.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 141
Temperature: 1.350000
Total energy: -346.239741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.239741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.239741 (E_RNA)
where:
Base-Base interactions energy: -119.907
where: short stacking energy: -106.826
Base-Backbone interact. energy: 7.392
local terms energy: -233.724501
where:
bonds (distance) C4'-P energy: -62.950
bonds (distance) P-C4' energy: -81.950
flat angles C4'-P-C4' energy: -60.629
flat angles P-C4'-P energy: -38.854
tors. eta vs tors. theta energy: 10.659
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: 1
=====================================
Write number: 142
Temperature: 0.900000
Total energy: -1255.133495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1255.133495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1255.133495 (E_RNA)
where:
Base-Base interactions energy: -738.569
where: short stacking energy: -442.994
Base-Backbone interact. energy: 0.080
local terms energy: -516.644460
where:
bonds (distance) C4'-P energy: -94.340
bonds (distance) P-C4' energy: -101.078
flat angles C4'-P-C4' energy: -114.960
flat angles P-C4'-P energy: -76.138
tors. eta vs tors. theta energy: -130.128
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 142
Temperature: 0.950000
Total energy: -1053.276762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1053.276762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1053.276762 (E_RNA)
where:
Base-Base interactions energy: -601.591
where: short stacking energy: -385.122
Base-Backbone interact. energy: -0.476
local terms energy: -451.209271
where:
bonds (distance) C4'-P energy: -75.955
bonds (distance) P-C4' energy: -98.528
flat angles C4'-P-C4' energy: -105.053
flat angles P-C4'-P energy: -49.490
tors. eta vs tors. theta energy: -122.183
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 142
Temperature: 1.000000
Total energy: -980.349930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -980.349930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -980.349930 (E_RNA)
where:
Base-Base interactions energy: -565.176
where: short stacking energy: -340.042
Base-Backbone interact. energy: 1.938
local terms energy: -417.111421
where:
bonds (distance) C4'-P energy: -83.164
bonds (distance) P-C4' energy: -87.495
flat angles C4'-P-C4' energy: -89.717
flat angles P-C4'-P energy: -68.550
tors. eta vs tors. theta energy: -88.185
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 142
Temperature: 1.050000
Total energy: -770.193571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -770.193571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -770.193571 (E_RNA)
where:
Base-Base interactions energy: -390.473
where: short stacking energy: -236.908
Base-Backbone interact. energy: 1.664
local terms energy: -381.384260
where:
bonds (distance) C4'-P energy: -86.943
bonds (distance) P-C4' energy: -84.428
flat angles C4'-P-C4' energy: -89.871
flat angles P-C4'-P energy: -64.705
tors. eta vs tors. theta energy: -55.438
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: 7
=====================================
Write number: 142
Temperature: 1.100000
Total energy: -645.655832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -645.655832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -645.655832 (E_RNA)
where:
Base-Base interactions energy: -289.410
where: short stacking energy: -197.494
Base-Backbone interact. energy: -1.049
local terms energy: -355.196829
where:
bonds (distance) C4'-P energy: -62.449
bonds (distance) P-C4' energy: -96.158
flat angles C4'-P-C4' energy: -91.573
flat angles P-C4'-P energy: -63.269
tors. eta vs tors. theta energy: -41.748
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 142
Temperature: 1.150000
Total energy: -588.855222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -588.855222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -588.855222 (E_RNA)
where:
Base-Base interactions energy: -282.794
where: short stacking energy: -173.598
Base-Backbone interact. energy: -0.160
local terms energy: -305.901454
where:
bonds (distance) C4'-P energy: -88.424
bonds (distance) P-C4' energy: -88.462
flat angles C4'-P-C4' energy: -77.534
flat angles P-C4'-P energy: -31.575
tors. eta vs tors. theta energy: -19.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 142
Temperature: 1.200000
Total energy: -476.981069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.981069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.981069 (E_RNA)
where:
Base-Base interactions energy: -191.312
where: short stacking energy: -189.174
Base-Backbone interact. energy: 0.185
local terms energy: -285.854353
where:
bonds (distance) C4'-P energy: -75.777
bonds (distance) P-C4' energy: -82.188
flat angles C4'-P-C4' energy: -67.625
flat angles P-C4'-P energy: -48.303
tors. eta vs tors. theta energy: -11.961
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 142
Temperature: 1.250000
Total energy: -396.778745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -396.778745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -396.778745 (E_RNA)
where:
Base-Base interactions energy: -156.832
where: short stacking energy: -124.868
Base-Backbone interact. energy: 5.851
local terms energy: -245.797701
where:
bonds (distance) C4'-P energy: -60.572
bonds (distance) P-C4' energy: -88.731
flat angles C4'-P-C4' energy: -72.869
flat angles P-C4'-P energy: -32.487
tors. eta vs tors. theta energy: 8.861
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 142
Temperature: 1.300000
Total energy: -386.708647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -386.708647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -386.708647 (E_RNA)
where:
Base-Base interactions energy: -125.280
where: short stacking energy: -98.097
Base-Backbone interact. energy: -0.536
local terms energy: -260.892434
where:
bonds (distance) C4'-P energy: -78.488
bonds (distance) P-C4' energy: -89.297
flat angles C4'-P-C4' energy: -56.123
flat angles P-C4'-P energy: -42.761
tors. eta vs tors. theta energy: 5.776
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 142
Temperature: 1.350000
Total energy: -374.060645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -374.060645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -374.060645 (E_RNA)
where:
Base-Base interactions energy: -122.053
where: short stacking energy: -113.027
Base-Backbone interact. energy: -0.213
local terms energy: -251.794628
where:
bonds (distance) C4'-P energy: -79.022
bonds (distance) P-C4' energy: -85.629
flat angles C4'-P-C4' energy: -65.532
flat angles P-C4'-P energy: -35.514
tors. eta vs tors. theta energy: 13.901
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 143
Temperature: 0.900000
Total energy: -1232.024276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1232.024276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1232.024276 (E_RNA)
where:
Base-Base interactions energy: -727.064
where: short stacking energy: -423.642
Base-Backbone interact. energy: -1.485
local terms energy: -503.475385
where:
bonds (distance) C4'-P energy: -95.889
bonds (distance) P-C4' energy: -92.478
flat angles C4'-P-C4' energy: -108.268
flat angles P-C4'-P energy: -75.570
tors. eta vs tors. theta energy: -131.270
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 143
Temperature: 0.950000
Total energy: -1059.552090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1059.552090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1059.552090 (E_RNA)
where:
Base-Base interactions energy: -592.944
where: short stacking energy: -390.827
Base-Backbone interact. energy: 1.234
local terms energy: -467.842052
where:
bonds (distance) C4'-P energy: -89.204
bonds (distance) P-C4' energy: -83.860
flat angles C4'-P-C4' energy: -103.808
flat angles P-C4'-P energy: -72.039
tors. eta vs tors. theta energy: -118.931
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 143
Temperature: 1.000000
Total energy: -947.533040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -947.533040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -947.533040 (E_RNA)
where:
Base-Base interactions energy: -557.356
where: short stacking energy: -348.936
Base-Backbone interact. energy: 3.227
local terms energy: -393.404023
where:
bonds (distance) C4'-P energy: -77.392
bonds (distance) P-C4' energy: -89.107
flat angles C4'-P-C4' energy: -92.616
flat angles P-C4'-P energy: -53.852
tors. eta vs tors. theta energy: -80.437
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 143
Temperature: 1.050000
Total energy: -725.034497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -725.034497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -725.034497 (E_RNA)
where:
Base-Base interactions energy: -345.047
where: short stacking energy: -233.274
Base-Backbone interact. energy: -1.252
local terms energy: -378.735262
where:
bonds (distance) C4'-P energy: -74.202
bonds (distance) P-C4' energy: -106.525
flat angles C4'-P-C4' energy: -88.243
flat angles P-C4'-P energy: -57.517
tors. eta vs tors. theta energy: -52.247
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: 5, replica: 7
=====================================
Write number: 143
Temperature: 1.100000
Total energy: -689.776851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -689.776851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -689.776851 (E_RNA)
where:
Base-Base interactions energy: -308.690
where: short stacking energy: -227.589
Base-Backbone interact. energy: -1.225
local terms energy: -379.861270
where:
bonds (distance) C4'-P energy: -94.659
bonds (distance) P-C4' energy: -90.760
flat angles C4'-P-C4' energy: -97.195
flat angles P-C4'-P energy: -51.049
tors. eta vs tors. theta energy: -46.199
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: 5
=====================================
Write number: 143
Temperature: 1.150000
Total energy: -557.150620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -557.150620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -557.150620 (E_RNA)
where:
Base-Base interactions energy: -245.004
where: short stacking energy: -169.256
Base-Backbone interact. energy: 3.465
local terms energy: -315.612309
where:
bonds (distance) C4'-P energy: -80.362
bonds (distance) P-C4' energy: -84.911
flat angles C4'-P-C4' energy: -69.049
flat angles P-C4'-P energy: -57.133
tors. eta vs tors. theta energy: -24.157
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: 143
Temperature: 1.200000
Total energy: -480.273302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -480.273302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -480.273302 (E_RNA)
where:
Base-Base interactions energy: -174.536
where: short stacking energy: -169.605
Base-Backbone interact. energy: -0.225
local terms energy: -305.512003
where:
bonds (distance) C4'-P energy: -88.359
bonds (distance) P-C4' energy: -75.118
flat angles C4'-P-C4' energy: -73.836
flat angles P-C4'-P energy: -43.428
tors. eta vs tors. theta energy: -24.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 143
Temperature: 1.250000
Total energy: -417.173203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.173203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.173203 (E_RNA)
where:
Base-Base interactions energy: -152.035
where: short stacking energy: -136.481
Base-Backbone interact. energy: -0.044
local terms energy: -265.094892
where:
bonds (distance) C4'-P energy: -63.257
bonds (distance) P-C4' energy: -79.875
flat angles C4'-P-C4' energy: -79.715
flat angles P-C4'-P energy: -38.656
tors. eta vs tors. theta energy: -3.593
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 143
Temperature: 1.300000
Total energy: -396.117928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -396.117928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -396.117928 (E_RNA)
where:
Base-Base interactions energy: -120.341
where: short stacking energy: -114.586
Base-Backbone interact. energy: -0.703
local terms energy: -275.073968
where:
bonds (distance) C4'-P energy: -76.802
bonds (distance) P-C4' energy: -87.626
flat angles C4'-P-C4' energy: -77.346
flat angles P-C4'-P energy: -30.177
tors. eta vs tors. theta energy: -3.122
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: 10
=====================================
Write number: 143
Temperature: 1.350000
Total energy: -361.239924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.239924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.239924 (E_RNA)
where:
Base-Base interactions energy: -124.351
where: short stacking energy: -104.117
Base-Backbone interact. energy: -2.787
local terms energy: -234.101201
where:
bonds (distance) C4'-P energy: -67.490
bonds (distance) P-C4' energy: -86.545
flat angles C4'-P-C4' energy: -66.923
flat angles P-C4'-P energy: -24.054
tors. eta vs tors. theta energy: 10.911
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 144
Temperature: 0.900000
Total energy: -1233.594388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1233.594388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1233.594388 (E_RNA)
where:
Base-Base interactions energy: -766.819
where: short stacking energy: -433.420
Base-Backbone interact. energy: 0.910
local terms energy: -467.685492
where:
bonds (distance) C4'-P energy: -77.712
bonds (distance) P-C4' energy: -88.839
flat angles C4'-P-C4' energy: -104.644
flat angles P-C4'-P energy: -64.512
tors. eta vs tors. theta energy: -131.979
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 144
Temperature: 0.950000
Total energy: -1022.902855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1022.902855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1022.902855 (E_RNA)
where:
Base-Base interactions energy: -608.832
where: short stacking energy: -350.003
Base-Backbone interact. energy: 0.442
local terms energy: -414.513292
where:
bonds (distance) C4'-P energy: -71.670
bonds (distance) P-C4' energy: -93.620
flat angles C4'-P-C4' energy: -97.074
flat angles P-C4'-P energy: -61.147
tors. eta vs tors. theta energy: -91.003
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: 2
=====================================
Write number: 144
Temperature: 1.000000
Total energy: -983.687692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -983.687692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -983.687692 (E_RNA)
where:
Base-Base interactions energy: -571.367
where: short stacking energy: -352.723
Base-Backbone interact. energy: 0.328
local terms energy: -412.648806
where:
bonds (distance) C4'-P energy: -78.896
bonds (distance) P-C4' energy: -89.750
flat angles C4'-P-C4' energy: -84.865
flat angles P-C4'-P energy: -70.895
tors. eta vs tors. theta energy: -88.244
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 144
Temperature: 1.050000
Total energy: -716.211740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -716.211740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -716.211740 (E_RNA)
where:
Base-Base interactions energy: -368.020
where: short stacking energy: -239.036
Base-Backbone interact. energy: 0.555
local terms energy: -348.746202
where:
bonds (distance) C4'-P energy: -84.635
bonds (distance) P-C4' energy: -94.422
flat angles C4'-P-C4' energy: -78.979
flat angles P-C4'-P energy: -48.488
tors. eta vs tors. theta energy: -42.222
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 144
Temperature: 1.100000
Total energy: -677.706943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -677.706943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -677.706943 (E_RNA)
where:
Base-Base interactions energy: -324.523
where: short stacking energy: -251.949
Base-Backbone interact. energy: -0.701
local terms energy: -352.482352
where:
bonds (distance) C4'-P energy: -89.551
bonds (distance) P-C4' energy: -81.895
flat angles C4'-P-C4' energy: -79.737
flat angles P-C4'-P energy: -53.169
tors. eta vs tors. theta energy: -48.130
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 144
Temperature: 1.150000
Total energy: -592.407215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -592.407215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -592.407215 (E_RNA)
where:
Base-Base interactions energy: -254.720
where: short stacking energy: -188.375
Base-Backbone interact. energy: -1.351
local terms energy: -336.335747
where:
bonds (distance) C4'-P energy: -91.181
bonds (distance) P-C4' energy: -94.014
flat angles C4'-P-C4' energy: -85.071
flat angles P-C4'-P energy: -43.331
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: 7, replica: 9
=====================================
Write number: 144
Temperature: 1.200000
Total energy: -475.844836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -475.844836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -475.844836 (E_RNA)
where:
Base-Base interactions energy: -169.278
where: short stacking energy: -157.355
Base-Backbone interact. energy: 2.880
local terms energy: -309.446474
where:
bonds (distance) C4'-P energy: -87.835
bonds (distance) P-C4' energy: -79.637
flat angles C4'-P-C4' energy: -81.574
flat angles P-C4'-P energy: -48.946
tors. eta vs tors. theta energy: -11.454
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: 8
=====================================
Write number: 144
Temperature: 1.250000
Total energy: -395.781042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -395.781042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -395.781042 (E_RNA)
where:
Base-Base interactions energy: -133.359
where: short stacking energy: -123.696
Base-Backbone interact. energy: 1.812
local terms energy: -264.234106
where:
bonds (distance) C4'-P energy: -79.399
bonds (distance) P-C4' energy: -93.141
flat angles C4'-P-C4' energy: -63.189
flat angles P-C4'-P energy: -50.738
tors. eta vs tors. theta energy: 22.233
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: 3
=====================================
Write number: 144
Temperature: 1.300000
Total energy: -391.927559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.927559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -391.927559 (E_RNA)
where:
Base-Base interactions energy: -131.764
where: short stacking energy: -117.319
Base-Backbone interact. energy: 3.216
local terms energy: -263.380091
where:
bonds (distance) C4'-P energy: -87.337
bonds (distance) P-C4' energy: -86.900
flat angles C4'-P-C4' energy: -52.926
flat angles P-C4'-P energy: -39.073
tors. eta vs tors. theta energy: 2.856
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: 144
Temperature: 1.350000
Total energy: -343.164189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.164189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.164189 (E_RNA)
where:
Base-Base interactions energy: -103.031
where: short stacking energy: -92.082
Base-Backbone interact. energy: 0.612
local terms energy: -240.745242
where:
bonds (distance) C4'-P energy: -62.936
bonds (distance) P-C4' energy: -82.111
flat angles C4'-P-C4' energy: -66.312
flat angles P-C4'-P energy: -39.231
tors. eta vs tors. theta energy: 9.845
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: 145
Temperature: 0.900000
Total energy: -1255.326837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1255.326837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1255.326837 (E_RNA)
where:
Base-Base interactions energy: -763.485
where: short stacking energy: -452.288
Base-Backbone interact. energy: 0.130
local terms energy: -491.972418
where:
bonds (distance) C4'-P energy: -95.186
bonds (distance) P-C4' energy: -96.774
flat angles C4'-P-C4' energy: -104.189
flat angles P-C4'-P energy: -71.141
tors. eta vs tors. theta energy: -124.683
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 145
Temperature: 0.950000
Total energy: -1068.812645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1068.812645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1068.812645 (E_RNA)
where:
Base-Base interactions energy: -592.474
where: short stacking energy: -397.618
Base-Backbone interact. energy: -0.447
local terms energy: -475.891173
where:
bonds (distance) C4'-P energy: -93.328
bonds (distance) P-C4' energy: -82.325
flat angles C4'-P-C4' energy: -103.589
flat angles P-C4'-P energy: -77.838
tors. eta vs tors. theta energy: -118.812
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: 2
=====================================
Write number: 145
Temperature: 1.000000
Total energy: -954.799291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -954.799291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -954.799291 (E_RNA)
where:
Base-Base interactions energy: -535.708
where: short stacking energy: -323.651
Base-Backbone interact. energy: -1.067
local terms energy: -418.024594
where:
bonds (distance) C4'-P energy: -83.678
bonds (distance) P-C4' energy: -102.140
flat angles C4'-P-C4' energy: -80.657
flat angles P-C4'-P energy: -71.939
tors. eta vs tors. theta energy: -79.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 145
Temperature: 1.050000
Total energy: -728.870325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -728.870325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -728.870325 (E_RNA)
where:
Base-Base interactions energy: -338.897
where: short stacking energy: -222.225
Base-Backbone interact. energy: -0.190
local terms energy: -389.783416
where:
bonds (distance) C4'-P energy: -85.345
bonds (distance) P-C4' energy: -93.141
flat angles C4'-P-C4' energy: -88.248
flat angles P-C4'-P energy: -60.527
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: 5, replica: 7
=====================================
Write number: 145
Temperature: 1.100000
Total energy: -665.188910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -665.188910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -665.188910 (E_RNA)
where:
Base-Base interactions energy: -332.162
where: short stacking energy: -192.809
Base-Backbone interact. energy: 0.253
local terms energy: -333.279986
where:
bonds (distance) C4'-P energy: -75.124
bonds (distance) P-C4' energy: -76.821
flat angles C4'-P-C4' energy: -87.492
flat angles P-C4'-P energy: -60.017
tors. eta vs tors. theta energy: -33.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 145
Temperature: 1.150000
Total energy: -575.422015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -575.422015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -575.422015 (E_RNA)
where:
Base-Base interactions energy: -242.684
where: short stacking energy: -175.998
Base-Backbone interact. energy: 2.282
local terms energy: -335.020143
where:
bonds (distance) C4'-P energy: -100.950
bonds (distance) P-C4' energy: -87.742
flat angles C4'-P-C4' energy: -72.430
flat angles P-C4'-P energy: -56.842
tors. eta vs tors. theta energy: -17.056
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: 7, replica: 9
=====================================
Write number: 145
Temperature: 1.200000
Total energy: -468.524413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -468.524413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -468.524413 (E_RNA)
where:
Base-Base interactions energy: -170.805
where: short stacking energy: -149.808
Base-Backbone interact. energy: -1.789
local terms energy: -295.930414
where:
bonds (distance) C4'-P energy: -83.976
bonds (distance) P-C4' energy: -83.729
flat angles C4'-P-C4' energy: -85.758
flat angles P-C4'-P energy: -34.038
tors. eta vs tors. theta energy: -8.430
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 145
Temperature: 1.250000
Total energy: -399.874621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -399.874621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -399.874621 (E_RNA)
where:
Base-Base interactions energy: -152.941
where: short stacking energy: -132.261
Base-Backbone interact. energy: -1.168
local terms energy: -245.765491
where:
bonds (distance) C4'-P energy: -69.717
bonds (distance) P-C4' energy: -64.852
flat angles C4'-P-C4' energy: -71.435
flat angles P-C4'-P energy: -37.703
tors. eta vs tors. theta energy: -2.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 145
Temperature: 1.300000
Total energy: -369.236370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.236370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.236370 (E_RNA)
where:
Base-Base interactions energy: -127.327
where: short stacking energy: -110.617
Base-Backbone interact. energy: 7.107
local terms energy: -249.015912
where:
bonds (distance) C4'-P energy: -80.686
bonds (distance) P-C4' energy: -68.881
flat angles C4'-P-C4' energy: -64.764
flat angles P-C4'-P energy: -43.377
tors. eta vs tors. theta energy: 8.691
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 145
Temperature: 1.350000
Total energy: -361.719286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.719286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.719286 (E_RNA)
where:
Base-Base interactions energy: -116.946
where: short stacking energy: -107.452
Base-Backbone interact. energy: 2.891
local terms energy: -247.664217
where:
bonds (distance) C4'-P energy: -79.903
bonds (distance) P-C4' energy: -82.057
flat angles C4'-P-C4' energy: -59.675
flat angles P-C4'-P energy: -39.116
tors. eta vs tors. theta energy: 13.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 146
Temperature: 0.900000
Total energy: -1249.436373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1249.436373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1249.436373 (E_RNA)
where:
Base-Base interactions energy: -754.631
where: short stacking energy: -416.190
Base-Backbone interact. energy: -1.900
local terms energy: -492.905604
where:
bonds (distance) C4'-P energy: -92.176
bonds (distance) P-C4' energy: -97.530
flat angles C4'-P-C4' energy: -103.561
flat angles P-C4'-P energy: -75.293
tors. eta vs tors. theta energy: -124.346
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 146
Temperature: 0.950000
Total energy: -1080.499367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1080.499367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1080.499367 (E_RNA)
where:
Base-Base interactions energy: -630.397
where: short stacking energy: -403.382
Base-Backbone interact. energy: -0.706
local terms energy: -449.395683
where:
bonds (distance) C4'-P energy: -88.875
bonds (distance) P-C4' energy: -85.009
flat angles C4'-P-C4' energy: -96.294
flat angles P-C4'-P energy: -71.513
tors. eta vs tors. theta energy: -107.705
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 146
Temperature: 1.000000
Total energy: -970.291965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -970.291965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -970.291965 (E_RNA)
where:
Base-Base interactions energy: -550.642
where: short stacking energy: -359.002
Base-Backbone interact. energy: 0.640
local terms energy: -420.289492
where:
bonds (distance) C4'-P energy: -77.223
bonds (distance) P-C4' energy: -82.741
flat angles C4'-P-C4' energy: -96.102
flat angles P-C4'-P energy: -63.637
tors. eta vs tors. theta energy: -100.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 146
Temperature: 1.050000
Total energy: -749.747143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -749.747143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -749.747143 (E_RNA)
where:
Base-Base interactions energy: -382.007
where: short stacking energy: -234.541
Base-Backbone interact. energy: -0.846
local terms energy: -366.893441
where:
bonds (distance) C4'-P energy: -86.564
bonds (distance) P-C4' energy: -87.548
flat angles C4'-P-C4' energy: -86.605
flat angles P-C4'-P energy: -47.534
tors. eta vs tors. theta energy: -58.642
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 146
Temperature: 1.100000
Total energy: -696.830042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -696.830042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -696.830042 (E_RNA)
where:
Base-Base interactions energy: -354.071
where: short stacking energy: -229.001
Base-Backbone interact. energy: -0.364
local terms energy: -342.394241
where:
bonds (distance) C4'-P energy: -90.874
bonds (distance) P-C4' energy: -87.457
flat angles C4'-P-C4' energy: -86.616
flat angles P-C4'-P energy: -26.330
tors. eta vs tors. theta energy: -51.117
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 146
Temperature: 1.150000
Total energy: -512.766315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.766315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.766315 (E_RNA)
where:
Base-Base interactions energy: -213.745
where: short stacking energy: -160.058
Base-Backbone interact. energy: -0.020
local terms energy: -299.001792
where:
bonds (distance) C4'-P energy: -94.704
bonds (distance) P-C4' energy: -71.735
flat angles C4'-P-C4' energy: -69.744
flat angles P-C4'-P energy: -49.277
tors. eta vs tors. theta energy: -13.541
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: 9
=====================================
Write number: 146
Temperature: 1.200000
Total energy: -447.504945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -447.504945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -447.504945 (E_RNA)
where:
Base-Base interactions energy: -151.656
where: short stacking energy: -141.372
Base-Backbone interact. energy: 1.766
local terms energy: -297.615115
where:
bonds (distance) C4'-P energy: -83.601
bonds (distance) P-C4' energy: -87.771
flat angles C4'-P-C4' energy: -73.231
flat angles P-C4'-P energy: -46.941
tors. eta vs tors. theta energy: -6.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 146
Temperature: 1.250000
Total energy: -412.031391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.031391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.031391 (E_RNA)
where:
Base-Base interactions energy: -139.764
where: short stacking energy: -123.359
Base-Backbone interact. energy: 0.331
local terms energy: -272.598085
where:
bonds (distance) C4'-P energy: -82.325
bonds (distance) P-C4' energy: -80.793
flat angles C4'-P-C4' energy: -58.966
flat angles P-C4'-P energy: -43.068
tors. eta vs tors. theta energy: -7.447
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: 9, replica: 10
=====================================
Write number: 146
Temperature: 1.300000
Total energy: -399.665774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -399.665774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -399.665774 (E_RNA)
where:
Base-Base interactions energy: -135.216
where: short stacking energy: -129.819
Base-Backbone interact. energy: 1.626
local terms energy: -266.076615
where:
bonds (distance) C4'-P energy: -71.221
bonds (distance) P-C4' energy: -78.654
flat angles C4'-P-C4' energy: -69.548
flat angles P-C4'-P energy: -41.406
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: 10, replica: 3
=====================================
Write number: 146
Temperature: 1.350000
Total energy: -374.808715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -374.808715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -374.808715 (E_RNA)
where:
Base-Base interactions energy: -108.248
where: short stacking energy: -93.992
Base-Backbone interact. energy: 0.050
local terms energy: -266.611362
where:
bonds (distance) C4'-P energy: -72.332
bonds (distance) P-C4' energy: -74.021
flat angles C4'-P-C4' energy: -71.909
flat angles P-C4'-P energy: -52.684
tors. eta vs tors. theta energy: 4.335
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: 1
=====================================
Write number: 147
Temperature: 0.900000
Total energy: -1222.830538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1222.830538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1222.830538 (E_RNA)
where:
Base-Base interactions energy: -737.918
where: short stacking energy: -424.590
Base-Backbone interact. energy: -0.853
local terms energy: -484.059959
where:
bonds (distance) C4'-P energy: -92.787
bonds (distance) P-C4' energy: -100.066
flat angles C4'-P-C4' energy: -93.469
flat angles P-C4'-P energy: -73.363
tors. eta vs tors. theta energy: -124.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 147
Temperature: 0.950000
Total energy: -1042.822475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1042.822475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1042.822475 (E_RNA)
where:
Base-Base interactions energy: -576.522
where: short stacking energy: -359.817
Base-Backbone interact. energy: -1.796
local terms energy: -464.504158
where:
bonds (distance) C4'-P energy: -89.140
bonds (distance) P-C4' energy: -95.983
flat angles C4'-P-C4' energy: -98.490
flat angles P-C4'-P energy: -73.985
tors. eta vs tors. theta energy: -106.906
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: 2
=====================================
Write number: 147
Temperature: 1.000000
Total energy: -960.836811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -960.836811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -960.836811 (E_RNA)
where:
Base-Base interactions energy: -537.587
where: short stacking energy: -339.743
Base-Backbone interact. energy: -1.227
local terms energy: -422.022978
where:
bonds (distance) C4'-P energy: -86.625
bonds (distance) P-C4' energy: -92.404
flat angles C4'-P-C4' energy: -92.856
flat angles P-C4'-P energy: -62.303
tors. eta vs tors. theta energy: -87.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 147
Temperature: 1.050000
Total energy: -739.813039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -739.813039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -739.813039 (E_RNA)
where:
Base-Base interactions energy: -372.668
where: short stacking energy: -249.994
Base-Backbone interact. energy: -2.166
local terms energy: -364.979238
where:
bonds (distance) C4'-P energy: -77.907
bonds (distance) P-C4' energy: -89.662
flat angles C4'-P-C4' energy: -85.231
flat angles P-C4'-P energy: -58.664
tors. eta vs tors. theta energy: -53.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 147
Temperature: 1.100000
Total energy: -677.209627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -677.209627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -677.209627 (E_RNA)
where:
Base-Base interactions energy: -313.630
where: short stacking energy: -215.221
Base-Backbone interact. energy: -1.502
local terms energy: -362.077411
where:
bonds (distance) C4'-P energy: -92.894
bonds (distance) P-C4' energy: -83.272
flat angles C4'-P-C4' energy: -84.004
flat angles P-C4'-P energy: -52.889
tors. eta vs tors. theta energy: -49.018
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 147
Temperature: 1.150000
Total energy: -572.237291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -572.237291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -572.237291 (E_RNA)
where:
Base-Base interactions energy: -246.301
where: short stacking energy: -211.556
Base-Backbone interact. energy: 3.116
local terms energy: -329.052179
where:
bonds (distance) C4'-P energy: -89.479
bonds (distance) P-C4' energy: -85.801
flat angles C4'-P-C4' energy: -76.028
flat angles P-C4'-P energy: -43.620
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: 9
=====================================
Write number: 147
Temperature: 1.200000
Total energy: -445.324953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -445.324953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -445.324953 (E_RNA)
where:
Base-Base interactions energy: -154.420
where: short stacking energy: -127.130
Base-Backbone interact. energy: 0.035
local terms energy: -290.939904
where:
bonds (distance) C4'-P energy: -78.231
bonds (distance) P-C4' energy: -93.046
flat angles C4'-P-C4' energy: -62.996
flat angles P-C4'-P energy: -48.987
tors. eta vs tors. theta energy: -7.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 147
Temperature: 1.250000
Total energy: -449.435148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -449.435148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -449.435148 (E_RNA)
where:
Base-Base interactions energy: -175.190
where: short stacking energy: -157.745
Base-Backbone interact. energy: -0.173
local terms energy: -274.072241
where:
bonds (distance) C4'-P energy: -73.068
bonds (distance) P-C4' energy: -79.386
flat angles C4'-P-C4' energy: -74.293
flat angles P-C4'-P energy: -48.881
tors. eta vs tors. theta energy: 1.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 147
Temperature: 1.300000
Total energy: -383.818471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -383.818471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -383.818471 (E_RNA)
where:
Base-Base interactions energy: -118.217
where: short stacking energy: -115.104
Base-Backbone interact. energy: -1.096
local terms energy: -264.505512
where:
bonds (distance) C4'-P energy: -69.541
bonds (distance) P-C4' energy: -70.569
flat angles C4'-P-C4' energy: -72.981
flat angles P-C4'-P energy: -48.573
tors. eta vs tors. theta energy: -2.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 147
Temperature: 1.350000
Total energy: -348.578998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.578998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.578998 (E_RNA)
where:
Base-Base interactions energy: -106.280
where: short stacking energy: -97.621
Base-Backbone interact. energy: -0.275
local terms energy: -242.023471
where:
bonds (distance) C4'-P energy: -72.472
bonds (distance) P-C4' energy: -80.051
flat angles C4'-P-C4' energy: -53.064
flat angles P-C4'-P energy: -39.670
tors. eta vs tors. theta energy: 3.234
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 148
Temperature: 0.900000
Total energy: -1229.911060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1229.911060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1229.911060 (E_RNA)
where:
Base-Base interactions energy: -739.423
where: short stacking energy: -417.985
Base-Backbone interact. energy: -0.361
local terms energy: -490.127123
where:
bonds (distance) C4'-P energy: -93.419
bonds (distance) P-C4' energy: -95.926
flat angles C4'-P-C4' energy: -109.881
flat angles P-C4'-P energy: -68.853
tors. eta vs tors. theta energy: -122.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 148
Temperature: 0.950000
Total energy: -1078.552639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1078.552639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1078.552639 (E_RNA)
where:
Base-Base interactions energy: -623.031
where: short stacking energy: -377.018
Base-Backbone interact. energy: 0.609
local terms energy: -456.130218
where:
bonds (distance) C4'-P energy: -90.540
bonds (distance) P-C4' energy: -92.602
flat angles C4'-P-C4' energy: -94.115
flat angles P-C4'-P energy: -70.010
tors. eta vs tors. theta energy: -108.862
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: 3, replica: 2
=====================================
Write number: 148
Temperature: 1.000000
Total energy: -936.317748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -936.317748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -936.317748 (E_RNA)
where:
Base-Base interactions energy: -516.367
where: short stacking energy: -334.960
Base-Backbone interact. energy: -1.125
local terms energy: -418.825711
where:
bonds (distance) C4'-P energy: -85.402
bonds (distance) P-C4' energy: -94.141
flat angles C4'-P-C4' energy: -83.225
flat angles P-C4'-P energy: -57.110
tors. eta vs tors. theta energy: -98.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 148
Temperature: 1.050000
Total energy: -717.382661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -717.382661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -717.382661 (E_RNA)
where:
Base-Base interactions energy: -350.895
where: short stacking energy: -243.872
Base-Backbone interact. energy: -1.946
local terms energy: -364.542378
where:
bonds (distance) C4'-P energy: -87.641
bonds (distance) P-C4' energy: -91.773
flat angles C4'-P-C4' energy: -91.681
flat angles P-C4'-P energy: -43.349
tors. eta vs tors. theta energy: -50.099
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 148
Temperature: 1.100000
Total energy: -664.309899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -664.309899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -664.309899 (E_RNA)
where:
Base-Base interactions energy: -317.389
where: short stacking energy: -198.028
Base-Backbone interact. energy: 0.099
local terms energy: -347.019933
where:
bonds (distance) C4'-P energy: -73.013
bonds (distance) P-C4' energy: -79.915
flat angles C4'-P-C4' energy: -96.818
flat angles P-C4'-P energy: -61.701
tors. eta vs tors. theta energy: -35.573
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: 5
=====================================
Write number: 148
Temperature: 1.150000
Total energy: -491.694780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.694780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.694780 (E_RNA)
where:
Base-Base interactions energy: -192.885
where: short stacking energy: -171.424
Base-Backbone interact. energy: -0.797
local terms energy: -298.012925
where:
bonds (distance) C4'-P energy: -82.227
bonds (distance) P-C4' energy: -86.789
flat angles C4'-P-C4' energy: -81.491
flat angles P-C4'-P energy: -34.569
tors. eta vs tors. theta energy: -12.938
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 148
Temperature: 1.200000
Total energy: -440.348459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -440.348459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -440.348459 (E_RNA)
where:
Base-Base interactions energy: -169.632
where: short stacking energy: -117.056
Base-Backbone interact. energy: 2.126
local terms energy: -272.841913
where:
bonds (distance) C4'-P energy: -71.583
bonds (distance) P-C4' energy: -85.406
flat angles C4'-P-C4' energy: -69.221
flat angles P-C4'-P energy: -39.560
tors. eta vs tors. theta energy: -7.072
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: 8
=====================================
Write number: 148
Temperature: 1.250000
Total energy: -397.093512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -397.093512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -397.093512 (E_RNA)
where:
Base-Base interactions energy: -133.230
where: short stacking energy: -99.234
Base-Backbone interact. energy: -0.296
local terms energy: -263.566931
where:
bonds (distance) C4'-P energy: -56.121
bonds (distance) P-C4' energy: -85.372
flat angles C4'-P-C4' energy: -73.584
flat angles P-C4'-P energy: -51.369
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: 3
=====================================
Write number: 148
Temperature: 1.300000
Total energy: -383.518199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -383.518199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -383.518199 (E_RNA)
where:
Base-Base interactions energy: -103.792
where: short stacking energy: -97.315
Base-Backbone interact. energy: -0.803
local terms energy: -278.923096
where:
bonds (distance) C4'-P energy: -78.944
bonds (distance) P-C4' energy: -96.728
flat angles C4'-P-C4' energy: -69.539
flat angles P-C4'-P energy: -48.064
tors. eta vs tors. theta energy: 14.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 148
Temperature: 1.350000
Total energy: -358.286905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.286905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.286905 (E_RNA)
where:
Base-Base interactions energy: -124.954
where: short stacking energy: -109.654
Base-Backbone interact. energy: 0.235
local terms energy: -233.567567
where:
bonds (distance) C4'-P energy: -64.116
bonds (distance) P-C4' energy: -78.247
flat angles C4'-P-C4' energy: -66.825
flat angles P-C4'-P energy: -35.107
tors. eta vs tors. theta energy: 10.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 149
Temperature: 0.900000
Total energy: -1236.709384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1236.709384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1236.709384 (E_RNA)
where:
Base-Base interactions energy: -759.529
where: short stacking energy: -432.377
Base-Backbone interact. energy: -3.772
local terms energy: -473.408307
where:
bonds (distance) C4'-P energy: -89.356
bonds (distance) P-C4' energy: -92.893
flat angles C4'-P-C4' energy: -103.029
flat angles P-C4'-P energy: -67.261
tors. eta vs tors. theta energy: -120.869
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 149
Temperature: 0.950000
Total energy: -1086.461027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1086.461027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1086.461027 (E_RNA)
where:
Base-Base interactions energy: -630.397
where: short stacking energy: -388.763
Base-Backbone interact. energy: -1.681
local terms energy: -454.383350
where:
bonds (distance) C4'-P energy: -93.461
bonds (distance) P-C4' energy: -86.906
flat angles C4'-P-C4' energy: -99.987
flat angles P-C4'-P energy: -60.360
tors. eta vs tors. theta energy: -113.670
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 149
Temperature: 1.000000
Total energy: -974.048604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -974.048604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -974.048604 (E_RNA)
where:
Base-Base interactions energy: -535.639
where: short stacking energy: -327.210
Base-Backbone interact. energy: -2.147
local terms energy: -436.262822
where:
bonds (distance) C4'-P energy: -91.061
bonds (distance) P-C4' energy: -91.553
flat angles C4'-P-C4' energy: -88.802
flat angles P-C4'-P energy: -74.584
tors. eta vs tors. theta energy: -90.263
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 149
Temperature: 1.050000
Total energy: -733.768136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -733.768136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -733.768136 (E_RNA)
where:
Base-Base interactions energy: -380.694
where: short stacking energy: -271.966
Base-Backbone interact. energy: -1.057
local terms energy: -352.016748
where:
bonds (distance) C4'-P energy: -92.225
bonds (distance) P-C4' energy: -76.550
flat angles C4'-P-C4' energy: -75.232
flat angles P-C4'-P energy: -49.691
tors. eta vs tors. theta energy: -58.319
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 149
Temperature: 1.100000
Total energy: -694.491320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -694.491320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -694.491320 (E_RNA)
where:
Base-Base interactions energy: -332.593
where: short stacking energy: -237.456
Base-Backbone interact. energy: -0.926
local terms energy: -360.972926
where:
bonds (distance) C4'-P energy: -87.948
bonds (distance) P-C4' energy: -92.367
flat angles C4'-P-C4' energy: -88.968
flat angles P-C4'-P energy: -38.989
tors. eta vs tors. theta energy: -52.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 149
Temperature: 1.150000
Total energy: -508.488881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -508.488881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.488881 (E_RNA)
where:
Base-Base interactions energy: -205.723
where: short stacking energy: -176.375
Base-Backbone interact. energy: 0.713
local terms energy: -303.478997
where:
bonds (distance) C4'-P energy: -78.311
bonds (distance) P-C4' energy: -86.881
flat angles C4'-P-C4' energy: -67.044
flat angles P-C4'-P energy: -44.105
tors. eta vs tors. theta energy: -27.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 149
Temperature: 1.200000
Total energy: -460.413229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -460.413229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -460.413229 (E_RNA)
where:
Base-Base interactions energy: -150.104
where: short stacking energy: -127.572
Base-Backbone interact. energy: -1.002
local terms energy: -309.307317
where:
bonds (distance) C4'-P energy: -81.375
bonds (distance) P-C4' energy: -88.741
flat angles C4'-P-C4' energy: -81.105
flat angles P-C4'-P energy: -48.909
tors. eta vs tors. theta energy: -9.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 149
Temperature: 1.250000
Total energy: -437.251198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -437.251198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -437.251198 (E_RNA)
where:
Base-Base interactions energy: -156.000
where: short stacking energy: -143.242
Base-Backbone interact. energy: 3.131
local terms energy: -284.381964
where:
bonds (distance) C4'-P energy: -83.474
bonds (distance) P-C4' energy: -83.029
flat angles C4'-P-C4' energy: -72.569
flat angles P-C4'-P energy: -32.013
tors. eta vs tors. theta energy: -13.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 149
Temperature: 1.300000
Total energy: -389.792089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -389.792089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -389.792089 (E_RNA)
where:
Base-Base interactions energy: -141.945
where: short stacking energy: -113.631
Base-Backbone interact. energy: 4.008
local terms energy: -251.854914
where:
bonds (distance) C4'-P energy: -73.423
bonds (distance) P-C4' energy: -80.289
flat angles C4'-P-C4' energy: -64.404
flat angles P-C4'-P energy: -43.247
tors. eta vs tors. theta energy: 9.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 149
Temperature: 1.350000
Total energy: -345.795007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.795007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.795007 (E_RNA)
where:
Base-Base interactions energy: -129.901
where: short stacking energy: -107.503
Base-Backbone interact. energy: 1.227
local terms energy: -217.121557
where:
bonds (distance) C4'-P energy: -64.050
bonds (distance) P-C4' energy: -78.217
flat angles C4'-P-C4' energy: -66.410
flat angles P-C4'-P energy: -32.351
tors. eta vs tors. theta energy: 23.905
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 150
Temperature: 0.900000
Total energy: -1237.402699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1237.402699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1237.402699 (E_RNA)
where:
Base-Base interactions energy: -757.212
where: short stacking energy: -418.783
Base-Backbone interact. energy: -0.424
local terms energy: -479.766672
where:
bonds (distance) C4'-P energy: -102.805
bonds (distance) P-C4' energy: -89.748
flat angles C4'-P-C4' energy: -104.172
flat angles P-C4'-P energy: -68.091
tors. eta vs tors. theta energy: -114.951
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 150
Temperature: 0.950000
Total energy: -1051.706445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1051.706445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1051.706445 (E_RNA)
where:
Base-Base interactions energy: -590.170
where: short stacking energy: -383.783
Base-Backbone interact. energy: -1.483
local terms energy: -460.052747
where:
bonds (distance) C4'-P energy: -93.663
bonds (distance) P-C4' energy: -86.657
flat angles C4'-P-C4' energy: -101.451
flat angles P-C4'-P energy: -60.780
tors. eta vs tors. theta energy: -117.502
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: 2
=====================================
Write number: 150
Temperature: 1.000000
Total energy: -957.681649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -957.681649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -957.681649 (E_RNA)
where:
Base-Base interactions energy: -538.723
where: short stacking energy: -332.671
Base-Backbone interact. energy: 2.449
local terms energy: -421.408205
where:
bonds (distance) C4'-P energy: -86.201
bonds (distance) P-C4' energy: -91.351
flat angles C4'-P-C4' energy: -105.873
flat angles P-C4'-P energy: -58.232
tors. eta vs tors. theta energy: -79.752
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 150
Temperature: 1.050000
Total energy: -707.559350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -707.559350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -707.559350 (E_RNA)
where:
Base-Base interactions energy: -329.065
where: short stacking energy: -220.628
Base-Backbone interact. energy: -1.389
local terms energy: -377.104991
where:
bonds (distance) C4'-P energy: -88.363
bonds (distance) P-C4' energy: -88.636
flat angles C4'-P-C4' energy: -88.469
flat angles P-C4'-P energy: -64.245
tors. eta vs tors. theta energy: -47.392
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: 7
=====================================
Write number: 150
Temperature: 1.100000
Total energy: -703.694599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -703.694599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -703.694599 (E_RNA)
where:
Base-Base interactions energy: -347.371
where: short stacking energy: -239.346
Base-Backbone interact. energy: 1.029
local terms energy: -357.352693
where:
bonds (distance) C4'-P energy: -91.397
bonds (distance) P-C4' energy: -86.080
flat angles C4'-P-C4' energy: -81.781
flat angles P-C4'-P energy: -42.914
tors. eta vs tors. theta energy: -55.180
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 150
Temperature: 1.150000
Total energy: -488.292254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.292254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.292254 (E_RNA)
where:
Base-Base interactions energy: -192.318
where: short stacking energy: -140.302
Base-Backbone interact. energy: -2.438
local terms energy: -293.536194
where:
bonds (distance) C4'-P energy: -91.491
bonds (distance) P-C4' energy: -88.095
flat angles C4'-P-C4' energy: -74.384
flat angles P-C4'-P energy: -33.259
tors. eta vs tors. theta energy: -6.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 150
Temperature: 1.200000
Total energy: -438.171643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -438.171643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -438.171643 (E_RNA)
where:
Base-Base interactions energy: -159.463
where: short stacking energy: -131.988
Base-Backbone interact. energy: -1.248
local terms energy: -277.461056
where:
bonds (distance) C4'-P energy: -75.466
bonds (distance) P-C4' energy: -75.989
flat angles C4'-P-C4' energy: -77.266
flat angles P-C4'-P energy: -42.951
tors. eta vs tors. theta energy: -5.788
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 150
Temperature: 1.250000
Total energy: -391.284174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.284174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -391.284174 (E_RNA)
where:
Base-Base interactions energy: -128.277
where: short stacking energy: -127.635
Base-Backbone interact. energy: 3.980
local terms energy: -266.987092
where:
bonds (distance) C4'-P energy: -66.829
bonds (distance) P-C4' energy: -89.580
flat angles C4'-P-C4' energy: -71.459
flat angles P-C4'-P energy: -38.326
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: 9, replica: 10
=====================================
Write number: 150
Temperature: 1.300000
Total energy: -373.145466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.145466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.145466 (E_RNA)
where:
Base-Base interactions energy: -120.115
where: short stacking energy: -95.216
Base-Backbone interact. energy: 2.386
local terms energy: -255.416433
where:
bonds (distance) C4'-P energy: -62.707
bonds (distance) P-C4' energy: -84.445
flat angles C4'-P-C4' energy: -64.982
flat angles P-C4'-P energy: -51.751
tors. eta vs tors. theta energy: 8.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 150
Temperature: 1.350000
Total energy: -338.888813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.888813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.888813 (E_RNA)
where:
Base-Base interactions energy: -112.540
where: short stacking energy: -79.793
Base-Backbone interact. energy: 5.579
local terms energy: -231.928186
where:
bonds (distance) C4'-P energy: -67.914
bonds (distance) P-C4' energy: -86.950
flat angles C4'-P-C4' energy: -69.888
flat angles P-C4'-P energy: -18.445
tors. eta vs tors. theta energy: 11.270
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: 151
Temperature: 0.900000
Total energy: -1230.148474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1230.148474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1230.148474 (E_RNA)
where:
Base-Base interactions energy: -765.292
where: short stacking energy: -425.322
Base-Backbone interact. energy: -0.202
local terms energy: -464.654242
where:
bonds (distance) C4'-P energy: -84.336
bonds (distance) P-C4' energy: -94.170
flat angles C4'-P-C4' energy: -104.398
flat angles P-C4'-P energy: -69.443
tors. eta vs tors. theta energy: -112.307
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 151
Temperature: 0.950000
Total energy: -1116.157356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1116.157356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1116.157356 (E_RNA)
where:
Base-Base interactions energy: -664.081
where: short stacking energy: -416.783
Base-Backbone interact. energy: -0.454
local terms energy: -451.622443
where:
bonds (distance) C4'-P energy: -78.310
bonds (distance) P-C4' energy: -97.960
flat angles C4'-P-C4' energy: -93.010
flat angles P-C4'-P energy: -58.167
tors. eta vs tors. theta energy: -124.175
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 151
Temperature: 1.000000
Total energy: -899.547485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -899.547485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -899.547485 (E_RNA)
where:
Base-Base interactions energy: -484.554
where: short stacking energy: -299.013
Base-Backbone interact. energy: -1.038
local terms energy: -413.956327
where:
bonds (distance) C4'-P energy: -88.197
bonds (distance) P-C4' energy: -94.260
flat angles C4'-P-C4' energy: -96.522
flat angles P-C4'-P energy: -60.600
tors. eta vs tors. theta energy: -74.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 151
Temperature: 1.050000
Total energy: -768.637667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -768.637667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -768.637667 (E_RNA)
where:
Base-Base interactions energy: -383.391
where: short stacking energy: -267.573
Base-Backbone interact. energy: -1.516
local terms energy: -383.730414
where:
bonds (distance) C4'-P energy: -87.846
bonds (distance) P-C4' energy: -100.122
flat angles C4'-P-C4' energy: -90.179
flat angles P-C4'-P energy: -53.432
tors. eta vs tors. theta energy: -52.152
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: 151
Temperature: 1.100000
Total energy: -648.397273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -648.397273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -648.397273 (E_RNA)
where:
Base-Base interactions energy: -335.051
where: short stacking energy: -228.167
Base-Backbone interact. energy: 1.392
local terms energy: -314.738502
where:
bonds (distance) C4'-P energy: -67.399
bonds (distance) P-C4' energy: -74.429
flat angles C4'-P-C4' energy: -84.845
flat angles P-C4'-P energy: -48.735
tors. eta vs tors. theta energy: -39.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 151
Temperature: 1.150000
Total energy: -495.162431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.162431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.162431 (E_RNA)
where:
Base-Base interactions energy: -175.483
where: short stacking energy: -149.246
Base-Backbone interact. energy: -1.975
local terms energy: -317.703958
where:
bonds (distance) C4'-P energy: -79.372
bonds (distance) P-C4' energy: -92.166
flat angles C4'-P-C4' energy: -84.220
flat angles P-C4'-P energy: -42.371
tors. eta vs tors. theta energy: -19.575
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 151
Temperature: 1.200000
Total energy: -446.240097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -446.240097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -446.240097 (E_RNA)
where:
Base-Base interactions energy: -165.081
where: short stacking energy: -138.305
Base-Backbone interact. energy: 0.664
local terms energy: -281.823869
where:
bonds (distance) C4'-P energy: -72.110
bonds (distance) P-C4' energy: -92.629
flat angles C4'-P-C4' energy: -61.005
flat angles P-C4'-P energy: -48.911
tors. eta vs tors. theta energy: -7.168
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 151
Temperature: 1.250000
Total energy: -460.547388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -460.547388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -460.547388 (E_RNA)
where:
Base-Base interactions energy: -166.659
where: short stacking energy: -157.242
Base-Backbone interact. energy: 0.194
local terms energy: -294.082407
where:
bonds (distance) C4'-P energy: -74.098
bonds (distance) P-C4' energy: -78.485
flat angles C4'-P-C4' energy: -90.212
flat angles P-C4'-P energy: -38.276
tors. eta vs tors. theta energy: -13.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 151
Temperature: 1.300000
Total energy: -379.679088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -379.679088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -379.679088 (E_RNA)
where:
Base-Base interactions energy: -128.719
where: short stacking energy: -115.015
Base-Backbone interact. energy: 0.368
local terms energy: -251.327629
where:
bonds (distance) C4'-P energy: -70.222
bonds (distance) P-C4' energy: -69.726
flat angles C4'-P-C4' energy: -77.763
flat angles P-C4'-P energy: -49.615
tors. eta vs tors. theta energy: 16.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 151
Temperature: 1.350000
Total energy: -369.308093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.308093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.308093 (E_RNA)
where:
Base-Base interactions energy: -135.704
where: short stacking energy: -108.918
Base-Backbone interact. energy: 0.186
local terms energy: -233.790668
where:
bonds (distance) C4'-P energy: -51.879
bonds (distance) P-C4' energy: -76.705
flat angles C4'-P-C4' energy: -67.818
flat angles P-C4'-P energy: -35.293
tors. eta vs tors. theta energy: -2.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 152
Temperature: 0.900000
Total energy: -1228.959280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1228.959280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1228.959280 (E_RNA)
where:
Base-Base interactions energy: -759.624
where: short stacking energy: -421.122
Base-Backbone interact. energy: -3.404
local terms energy: -465.931909
where:
bonds (distance) C4'-P energy: -84.786
bonds (distance) P-C4' energy: -101.203
flat angles C4'-P-C4' energy: -94.315
flat angles P-C4'-P energy: -73.597
tors. eta vs tors. theta energy: -112.031
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: 4
=====================================
Write number: 152
Temperature: 0.950000
Total energy: -1130.188482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1130.188482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1130.188482 (E_RNA)
where:
Base-Base interactions energy: -689.251
where: short stacking energy: -405.544
Base-Backbone interact. energy: -1.384
local terms energy: -439.552776
where:
bonds (distance) C4'-P energy: -77.234
bonds (distance) P-C4' energy: -93.232
flat angles C4'-P-C4' energy: -93.456
flat angles P-C4'-P energy: -63.614
tors. eta vs tors. theta energy: -112.017
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: 2
=====================================
Write number: 152
Temperature: 1.000000
Total energy: -909.574897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -909.574897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -909.574897 (E_RNA)
where:
Base-Base interactions energy: -548.450
where: short stacking energy: -317.101
Base-Backbone interact. energy: 2.331
local terms energy: -363.456413
where:
bonds (distance) C4'-P energy: -76.092
bonds (distance) P-C4' energy: -95.598
flat angles C4'-P-C4' energy: -83.689
flat angles P-C4'-P energy: -39.410
tors. eta vs tors. theta energy: -68.668
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: 7
=====================================
Write number: 152
Temperature: 1.050000
Total energy: -748.478089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -748.478089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -748.478089 (E_RNA)
where:
Base-Base interactions energy: -373.883
where: short stacking energy: -251.318
Base-Backbone interact. energy: -1.393
local terms energy: -373.202730
where:
bonds (distance) C4'-P energy: -83.500
bonds (distance) P-C4' energy: -83.845
flat angles C4'-P-C4' energy: -88.977
flat angles P-C4'-P energy: -58.931
tors. eta vs tors. theta energy: -57.950
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 152
Temperature: 1.100000
Total energy: -658.554690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -658.554690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -658.554690 (E_RNA)
where:
Base-Base interactions energy: -324.682
where: short stacking energy: -204.462
Base-Backbone interact. energy: 0.648
local terms energy: -334.521434
where:
bonds (distance) C4'-P energy: -82.450
bonds (distance) P-C4' energy: -75.828
flat angles C4'-P-C4' energy: -91.637
flat angles P-C4'-P energy: -49.417
tors. eta vs tors. theta energy: -35.188
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: 5
=====================================
Write number: 152
Temperature: 1.150000
Total energy: -549.582408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.582408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.582408 (E_RNA)
where:
Base-Base interactions energy: -234.607
where: short stacking energy: -181.537
Base-Backbone interact. energy: -1.261
local terms energy: -313.714722
where:
bonds (distance) C4'-P energy: -76.681
bonds (distance) P-C4' energy: -85.294
flat angles C4'-P-C4' energy: -81.789
flat angles P-C4'-P energy: -52.846
tors. eta vs tors. theta energy: -17.104
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 152
Temperature: 1.200000
Total energy: -439.728673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -439.728673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -439.728673 (E_RNA)
where:
Base-Base interactions energy: -161.671
where: short stacking energy: -128.851
Base-Backbone interact. energy: -2.169
local terms energy: -275.888531
where:
bonds (distance) C4'-P energy: -71.628
bonds (distance) P-C4' energy: -77.279
flat angles C4'-P-C4' energy: -76.257
flat angles P-C4'-P energy: -44.124
tors. eta vs tors. theta energy: -6.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 152
Temperature: 1.250000
Total energy: -417.040314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.040314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.040314 (E_RNA)
where:
Base-Base interactions energy: -134.488
where: short stacking energy: -106.889
Base-Backbone interact. energy: -1.626
local terms energy: -280.925877
where:
bonds (distance) C4'-P energy: -84.517
bonds (distance) P-C4' energy: -76.061
flat angles C4'-P-C4' energy: -81.682
flat angles P-C4'-P energy: -36.289
tors. eta vs tors. theta energy: -2.376
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: 9, replica: 8
=====================================
Write number: 152
Temperature: 1.300000
Total energy: -375.330129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -375.330129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -375.330129 (E_RNA)
where:
Base-Base interactions energy: -140.085
where: short stacking energy: -125.376
Base-Backbone interact. energy: 0.861
local terms energy: -236.106428
where:
bonds (distance) C4'-P energy: -80.235
bonds (distance) P-C4' energy: -60.994
flat angles C4'-P-C4' energy: -69.429
flat angles P-C4'-P energy: -35.755
tors. eta vs tors. theta energy: 10.306
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: 10, replica: 3
=====================================
Write number: 152
Temperature: 1.350000
Total energy: -334.219188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.219188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.219188 (E_RNA)
where:
Base-Base interactions energy: -109.627
where: short stacking energy: -93.727
Base-Backbone interact. energy: -1.513
local terms energy: -223.079426
where:
bonds (distance) C4'-P energy: -68.566
bonds (distance) P-C4' energy: -79.792
flat angles C4'-P-C4' energy: -62.083
flat angles P-C4'-P energy: -36.553
tors. eta vs tors. theta energy: 23.914
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: 1
=====================================
Write number: 153
Temperature: 0.900000
Total energy: -1200.659368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1200.659368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1200.659368 (E_RNA)
where:
Base-Base interactions energy: -728.271
where: short stacking energy: -377.058
Base-Backbone interact. energy: 1.017
local terms energy: -473.405126
where:
bonds (distance) C4'-P energy: -90.785
bonds (distance) P-C4' energy: -103.354
flat angles C4'-P-C4' energy: -104.094
flat angles P-C4'-P energy: -66.001
tors. eta vs tors. theta energy: -109.171
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 153
Temperature: 0.950000
Total energy: -1118.496392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1118.496392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1118.496392 (E_RNA)
where:
Base-Base interactions energy: -646.980
where: short stacking energy: -371.968
Base-Backbone interact. energy: -0.239
local terms energy: -471.277233
where:
bonds (distance) C4'-P energy: -84.631
bonds (distance) P-C4' energy: -96.643
flat angles C4'-P-C4' energy: -101.240
flat angles P-C4'-P energy: -65.020
tors. eta vs tors. theta energy: -123.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 153
Temperature: 1.000000
Total energy: -938.847083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -938.847083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -938.847083 (E_RNA)
where:
Base-Base interactions energy: -546.525
where: short stacking energy: -334.169
Base-Backbone interact. energy: 0.252
local terms energy: -392.574529
where:
bonds (distance) C4'-P energy: -74.303
bonds (distance) P-C4' energy: -80.956
flat angles C4'-P-C4' energy: -93.509
flat angles P-C4'-P energy: -68.286
tors. eta vs tors. theta energy: -75.520
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 153
Temperature: 1.050000
Total energy: -766.363151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -766.363151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -766.363151 (E_RNA)
where:
Base-Base interactions energy: -384.769
where: short stacking energy: -232.524
Base-Backbone interact. energy: -1.678
local terms energy: -379.916237
where:
bonds (distance) C4'-P energy: -87.969
bonds (distance) P-C4' energy: -97.455
flat angles C4'-P-C4' energy: -91.651
flat angles P-C4'-P energy: -59.507
tors. eta vs tors. theta energy: -43.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 153
Temperature: 1.100000
Total energy: -713.395598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -713.395598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -713.395598 (E_RNA)
where:
Base-Base interactions energy: -343.792
where: short stacking energy: -242.909
Base-Backbone interact. energy: -1.654
local terms energy: -367.949489
where:
bonds (distance) C4'-P energy: -90.905
bonds (distance) P-C4' energy: -89.857
flat angles C4'-P-C4' energy: -85.974
flat angles P-C4'-P energy: -56.864
tors. eta vs tors. theta energy: -44.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 153
Temperature: 1.150000
Total energy: -467.399305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -467.399305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -467.399305 (E_RNA)
where:
Base-Base interactions energy: -183.537
where: short stacking energy: -160.744
Base-Backbone interact. energy: -1.919
local terms energy: -281.942675
where:
bonds (distance) C4'-P energy: -81.199
bonds (distance) P-C4' energy: -85.495
flat angles C4'-P-C4' energy: -71.588
flat angles P-C4'-P energy: -38.758
tors. eta vs tors. theta energy: -4.902
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 153
Temperature: 1.200000
Total energy: -447.503623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -447.503623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -447.503623 (E_RNA)
where:
Base-Base interactions energy: -167.105
where: short stacking energy: -150.732
Base-Backbone interact. energy: 2.305
local terms energy: -282.703617
where:
bonds (distance) C4'-P energy: -77.505
bonds (distance) P-C4' energy: -82.848
flat angles C4'-P-C4' energy: -61.814
flat angles P-C4'-P energy: -46.299
tors. eta vs tors. theta energy: -14.238
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 153
Temperature: 1.250000
Total energy: -412.518205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.518205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.518205 (E_RNA)
where:
Base-Base interactions energy: -145.750
where: short stacking energy: -105.165
Base-Backbone interact. energy: -3.516
local terms energy: -263.252743
where:
bonds (distance) C4'-P energy: -66.762
bonds (distance) P-C4' energy: -94.713
flat angles C4'-P-C4' energy: -64.962
flat angles P-C4'-P energy: -43.075
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: 9, replica: 10
=====================================
Write number: 153
Temperature: 1.300000
Total energy: -376.281209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -376.281209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -376.281209 (E_RNA)
where:
Base-Base interactions energy: -101.874
where: short stacking energy: -94.375
Base-Backbone interact. energy: 1.428
local terms energy: -275.835278
where:
bonds (distance) C4'-P energy: -86.077
bonds (distance) P-C4' energy: -88.918
flat angles C4'-P-C4' energy: -61.194
flat angles P-C4'-P energy: -37.333
tors. eta vs tors. theta energy: -2.314
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 153
Temperature: 1.350000
Total energy: -330.136588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.136588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.136588 (E_RNA)
where:
Base-Base interactions energy: -118.149
where: short stacking energy: -112.223
Base-Backbone interact. energy: -0.827
local terms energy: -211.160637
where:
bonds (distance) C4'-P energy: -74.085
bonds (distance) P-C4' energy: -68.342
flat angles C4'-P-C4' energy: -49.662
flat angles P-C4'-P energy: -34.204
tors. eta vs tors. theta energy: 15.132
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 154
Temperature: 0.900000
Total energy: -1209.065636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1209.065636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1209.065636 (E_RNA)
where:
Base-Base interactions energy: -747.285
where: short stacking energy: -399.829
Base-Backbone interact. energy: -2.107
local terms energy: -459.673447
where:
bonds (distance) C4'-P energy: -88.659
bonds (distance) P-C4' energy: -96.794
flat angles C4'-P-C4' energy: -105.910
flat angles P-C4'-P energy: -56.750
tors. eta vs tors. theta energy: -111.561
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 154
Temperature: 0.950000
Total energy: -1122.480410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1122.480410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1122.480410 (E_RNA)
where:
Base-Base interactions energy: -681.270
where: short stacking energy: -387.203
Base-Backbone interact. energy: -1.939
local terms energy: -439.271416
where:
bonds (distance) C4'-P energy: -84.875
bonds (distance) P-C4' energy: -87.883
flat angles C4'-P-C4' energy: -107.966
flat angles P-C4'-P energy: -49.414
tors. eta vs tors. theta energy: -109.134
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: 3, replica: 2
=====================================
Write number: 154
Temperature: 1.000000
Total energy: -933.134402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -933.134402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -933.134402 (E_RNA)
where:
Base-Base interactions energy: -538.616
where: short stacking energy: -300.092
Base-Backbone interact. energy: -0.489
local terms energy: -394.029846
where:
bonds (distance) C4'-P energy: -94.554
bonds (distance) P-C4' energy: -87.072
flat angles C4'-P-C4' energy: -88.953
flat angles P-C4'-P energy: -41.249
tors. eta vs tors. theta energy: -82.202
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 154
Temperature: 1.050000
Total energy: -780.603534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -780.603534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -780.603534 (E_RNA)
where:
Base-Base interactions energy: -403.626
where: short stacking energy: -277.571
Base-Backbone interact. energy: -0.539
local terms energy: -376.437769
where:
bonds (distance) C4'-P energy: -85.146
bonds (distance) P-C4' energy: -90.101
flat angles C4'-P-C4' energy: -86.938
flat angles P-C4'-P energy: -57.912
tors. eta vs tors. theta energy: -56.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 154
Temperature: 1.100000
Total energy: -688.895796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -688.895796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -688.895796 (E_RNA)
where:
Base-Base interactions energy: -336.287
where: short stacking energy: -212.267
Base-Backbone interact. energy: -0.422
local terms energy: -352.186989
where:
bonds (distance) C4'-P energy: -80.380
bonds (distance) P-C4' energy: -95.495
flat angles C4'-P-C4' energy: -83.550
flat angles P-C4'-P energy: -57.757
tors. eta vs tors. theta energy: -35.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 154
Temperature: 1.150000
Total energy: -523.099456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.099456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.099456 (E_RNA)
where:
Base-Base interactions energy: -203.212
where: short stacking energy: -171.734
Base-Backbone interact. energy: -1.337
local terms energy: -318.550613
where:
bonds (distance) C4'-P energy: -79.930
bonds (distance) P-C4' energy: -83.521
flat angles C4'-P-C4' energy: -82.977
flat angles P-C4'-P energy: -43.453
tors. eta vs tors. theta energy: -28.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 154
Temperature: 1.200000
Total energy: -481.604427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.604427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -481.604427 (E_RNA)
where:
Base-Base interactions energy: -193.830
where: short stacking energy: -164.381
Base-Backbone interact. energy: -1.638
local terms energy: -286.135849
where:
bonds (distance) C4'-P energy: -79.395
bonds (distance) P-C4' energy: -78.432
flat angles C4'-P-C4' energy: -76.108
flat angles P-C4'-P energy: -39.604
tors. eta vs tors. theta energy: -12.597
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 154
Temperature: 1.250000
Total energy: -436.916624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -436.916624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -436.916624 (E_RNA)
where:
Base-Base interactions energy: -134.700
where: short stacking energy: -126.365
Base-Backbone interact. energy: 0.314
local terms energy: -302.530402
where:
bonds (distance) C4'-P energy: -91.519
bonds (distance) P-C4' energy: -83.348
flat angles C4'-P-C4' energy: -75.244
flat angles P-C4'-P energy: -55.691
tors. eta vs tors. theta energy: 3.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 154
Temperature: 1.300000
Total energy: -391.858961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.858961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -391.858961 (E_RNA)
where:
Base-Base interactions energy: -136.347
where: short stacking energy: -114.226
Base-Backbone interact. energy: -3.053
local terms energy: -252.458593
where:
bonds (distance) C4'-P energy: -73.328
bonds (distance) P-C4' energy: -66.370
flat angles C4'-P-C4' energy: -66.663
flat angles P-C4'-P energy: -49.445
tors. eta vs tors. theta energy: 3.347
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 154
Temperature: 1.350000
Total energy: -341.799387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.799387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.799387 (E_RNA)
where:
Base-Base interactions energy: -96.846
where: short stacking energy: -91.984
Base-Backbone interact. energy: 3.029
local terms energy: -247.981463
where:
bonds (distance) C4'-P energy: -73.707
bonds (distance) P-C4' energy: -75.398
flat angles C4'-P-C4' energy: -52.025
flat angles P-C4'-P energy: -53.456
tors. eta vs tors. theta energy: 6.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 155
Temperature: 0.900000
Total energy: -1229.191223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1229.191223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1229.191223 (E_RNA)
where:
Base-Base interactions energy: -747.976
where: short stacking energy: -422.143
Base-Backbone interact. energy: -1.997
local terms energy: -479.218206
where:
bonds (distance) C4'-P energy: -84.395
bonds (distance) P-C4' energy: -94.701
flat angles C4'-P-C4' energy: -102.397
flat angles P-C4'-P energy: -68.478
tors. eta vs tors. theta energy: -129.247
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: 2, replica: 4
=====================================
Write number: 155
Temperature: 0.950000
Total energy: -1160.403077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1160.403077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1160.403077 (E_RNA)
where:
Base-Base interactions energy: -689.384
where: short stacking energy: -409.042
Base-Backbone interact. energy: -0.047
local terms energy: -470.972550
where:
bonds (distance) C4'-P energy: -88.818
bonds (distance) P-C4' energy: -89.217
flat angles C4'-P-C4' energy: -101.251
flat angles P-C4'-P energy: -67.256
tors. eta vs tors. theta energy: -124.430
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 155
Temperature: 1.000000
Total energy: -931.806254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -931.806254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -931.806254 (E_RNA)
where:
Base-Base interactions energy: -517.991
where: short stacking energy: -320.274
Base-Backbone interact. energy: -2.431
local terms energy: -411.383829
where:
bonds (distance) C4'-P energy: -87.671
bonds (distance) P-C4' energy: -103.389
flat angles C4'-P-C4' energy: -79.025
flat angles P-C4'-P energy: -59.250
tors. eta vs tors. theta energy: -82.049
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: 7
=====================================
Write number: 155
Temperature: 1.050000
Total energy: -730.335739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -730.335739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -730.335739 (E_RNA)
where:
Base-Base interactions energy: -368.834
where: short stacking energy: -250.848
Base-Backbone interact. energy: 0.696
local terms energy: -362.197613
where:
bonds (distance) C4'-P energy: -82.313
bonds (distance) P-C4' energy: -83.221
flat angles C4'-P-C4' energy: -83.557
flat angles P-C4'-P energy: -48.316
tors. eta vs tors. theta energy: -64.790
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: 155
Temperature: 1.100000
Total energy: -673.216196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -673.216196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -673.216196 (E_RNA)
where:
Base-Base interactions energy: -338.545
where: short stacking energy: -214.877
Base-Backbone interact. energy: -3.261
local terms energy: -331.409668
where:
bonds (distance) C4'-P energy: -78.252
bonds (distance) P-C4' energy: -84.150
flat angles C4'-P-C4' energy: -83.891
flat angles P-C4'-P energy: -48.631
tors. eta vs tors. theta energy: -36.486
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: 9
=====================================
Write number: 155
Temperature: 1.150000
Total energy: -512.258951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.258951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.258951 (E_RNA)
where:
Base-Base interactions energy: -202.856
where: short stacking energy: -146.805
Base-Backbone interact. energy: 3.042
local terms energy: -312.444892
where:
bonds (distance) C4'-P energy: -87.283
bonds (distance) P-C4' energy: -90.377
flat angles C4'-P-C4' energy: -81.069
flat angles P-C4'-P energy: -48.388
tors. eta vs tors. theta energy: -5.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 155
Temperature: 1.200000
Total energy: -461.584286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -461.584286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -461.584286 (E_RNA)
where:
Base-Base interactions energy: -156.509
where: short stacking energy: -112.901
Base-Backbone interact. energy: 4.690
local terms energy: -309.765453
where:
bonds (distance) C4'-P energy: -91.727
bonds (distance) P-C4' energy: -78.866
flat angles C4'-P-C4' energy: -89.285
flat angles P-C4'-P energy: -44.714
tors. eta vs tors. theta energy: -5.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 155
Temperature: 1.250000
Total energy: -425.591802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -425.591802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -425.591802 (E_RNA)
where:
Base-Base interactions energy: -153.528
where: short stacking energy: -139.823
Base-Backbone interact. energy: 0.211
local terms energy: -272.275130
where:
bonds (distance) C4'-P energy: -72.599
bonds (distance) P-C4' energy: -84.130
flat angles C4'-P-C4' energy: -70.691
flat angles P-C4'-P energy: -45.928
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: 9, replica: 8
=====================================
Write number: 155
Temperature: 1.300000
Total energy: -379.460740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -379.460740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -379.460740 (E_RNA)
where:
Base-Base interactions energy: -96.658
where: short stacking energy: -87.349
Base-Backbone interact. energy: -2.003
local terms energy: -280.799895
where:
bonds (distance) C4'-P energy: -91.481
bonds (distance) P-C4' energy: -81.261
flat angles C4'-P-C4' energy: -78.967
flat angles P-C4'-P energy: -54.573
tors. eta vs tors. theta energy: 25.482
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 155
Temperature: 1.350000
Total energy: -337.534990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.534990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.534990 (E_RNA)
where:
Base-Base interactions energy: -96.970
where: short stacking energy: -93.774
Base-Backbone interact. energy: -0.586
local terms energy: -239.978372
where:
bonds (distance) C4'-P energy: -85.564
bonds (distance) P-C4' energy: -79.506
flat angles C4'-P-C4' energy: -59.833
flat angles P-C4'-P energy: -39.396
tors. eta vs tors. theta energy: 24.321
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: 1
=====================================
Write number: 156
Temperature: 0.900000
Total energy: -1240.959510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1240.959510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1240.959510 (E_RNA)
where:
Base-Base interactions energy: -754.294
where: short stacking energy: -438.822
Base-Backbone interact. energy: -0.639
local terms energy: -486.026375
where:
bonds (distance) C4'-P energy: -96.443
bonds (distance) P-C4' energy: -91.519
flat angles C4'-P-C4' energy: -106.945
flat angles P-C4'-P energy: -64.262
tors. eta vs tors. theta energy: -126.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 156
Temperature: 0.950000
Total energy: -1101.487777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1101.487777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1101.487777 (E_RNA)
where:
Base-Base interactions energy: -638.180
where: short stacking energy: -358.700
Base-Backbone interact. energy: -0.902
local terms energy: -462.405627
where:
bonds (distance) C4'-P energy: -97.560
bonds (distance) P-C4' energy: -92.204
flat angles C4'-P-C4' energy: -106.126
flat angles P-C4'-P energy: -58.479
tors. eta vs tors. theta energy: -108.036
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 156
Temperature: 1.000000
Total energy: -910.741088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -910.741088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -910.741088 (E_RNA)
where:
Base-Base interactions energy: -525.035
where: short stacking energy: -299.543
Base-Backbone interact. energy: 4.805
local terms energy: -390.510368
where:
bonds (distance) C4'-P energy: -76.816
bonds (distance) P-C4' energy: -93.406
flat angles C4'-P-C4' energy: -98.729
flat angles P-C4'-P energy: -54.016
tors. eta vs tors. theta energy: -67.544
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 156
Temperature: 1.050000
Total energy: -752.436207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -752.436207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -752.436207 (E_RNA)
where:
Base-Base interactions energy: -344.449
where: short stacking energy: -252.202
Base-Backbone interact. energy: 0.159
local terms energy: -408.146546
where:
bonds (distance) C4'-P energy: -93.972
bonds (distance) P-C4' energy: -101.457
flat angles C4'-P-C4' energy: -82.503
flat angles P-C4'-P energy: -63.051
tors. eta vs tors. theta energy: -67.163
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 156
Temperature: 1.100000
Total energy: -677.129979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -677.129979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -677.129979 (E_RNA)
where:
Base-Base interactions energy: -331.026
where: short stacking energy: -220.322
Base-Backbone interact. energy: 1.094
local terms energy: -347.198652
where:
bonds (distance) C4'-P energy: -70.287
bonds (distance) P-C4' energy: -82.086
flat angles C4'-P-C4' energy: -94.514
flat angles P-C4'-P energy: -52.269
tors. eta vs tors. theta energy: -48.044
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 156
Temperature: 1.150000
Total energy: -520.165678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.165678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.165678 (E_RNA)
where:
Base-Base interactions energy: -206.900
where: short stacking energy: -163.527
Base-Backbone interact. energy: -1.142
local terms energy: -312.123461
where:
bonds (distance) C4'-P energy: -64.916
bonds (distance) P-C4' energy: -88.494
flat angles C4'-P-C4' energy: -91.647
flat angles P-C4'-P energy: -59.438
tors. eta vs tors. theta energy: -7.628
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 156
Temperature: 1.200000
Total energy: -452.684685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -452.684685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -452.684685 (E_RNA)
where:
Base-Base interactions energy: -188.766
where: short stacking energy: -145.833
Base-Backbone interact. energy: 1.427
local terms energy: -265.345741
where:
bonds (distance) C4'-P energy: -69.619
bonds (distance) P-C4' energy: -69.483
flat angles C4'-P-C4' energy: -72.043
flat angles P-C4'-P energy: -40.992
tors. eta vs tors. theta energy: -13.210
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: 3
=====================================
Write number: 156
Temperature: 1.250000
Total energy: -446.405806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -446.405806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -446.405806 (E_RNA)
where:
Base-Base interactions energy: -170.735
where: short stacking energy: -132.388
Base-Backbone interact. energy: 2.126
local terms energy: -277.797295
where:
bonds (distance) C4'-P energy: -69.998
bonds (distance) P-C4' energy: -87.387
flat angles C4'-P-C4' energy: -75.842
flat angles P-C4'-P energy: -40.240
tors. eta vs tors. theta energy: -4.330
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 156
Temperature: 1.300000
Total energy: -372.816243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -372.816243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -372.816243 (E_RNA)
where:
Base-Base interactions energy: -115.293
where: short stacking energy: -96.309
Base-Backbone interact. energy: -0.418
local terms energy: -257.105729
where:
bonds (distance) C4'-P energy: -73.518
bonds (distance) P-C4' energy: -77.786
flat angles C4'-P-C4' energy: -74.491
flat angles P-C4'-P energy: -44.382
tors. eta vs tors. theta energy: 13.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 156
Temperature: 1.350000
Total energy: -338.328816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.328816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.328816 (E_RNA)
where:
Base-Base interactions energy: -109.145
where: short stacking energy: -87.964
Base-Backbone interact. energy: 0.852
local terms energy: -230.035256
where:
bonds (distance) C4'-P energy: -74.598
bonds (distance) P-C4' energy: -62.415
flat angles C4'-P-C4' energy: -54.388
flat angles P-C4'-P energy: -45.807
tors. eta vs tors. theta energy: 7.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 157
Temperature: 0.900000
Total energy: -1216.191233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1216.191233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1216.191233 (E_RNA)
where:
Base-Base interactions energy: -745.700
where: short stacking energy: -407.424
Base-Backbone interact. energy: -2.261
local terms energy: -468.230119
where:
bonds (distance) C4'-P energy: -93.954
bonds (distance) P-C4' energy: -87.706
flat angles C4'-P-C4' energy: -103.885
flat angles P-C4'-P energy: -69.558
tors. eta vs tors. theta energy: -113.127
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: 2, replica: 4
=====================================
Write number: 157
Temperature: 0.950000
Total energy: -1163.697075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1163.697075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1163.697075 (E_RNA)
where:
Base-Base interactions energy: -706.043
where: short stacking energy: -421.471
Base-Backbone interact. energy: -1.390
local terms energy: -456.263763
where:
bonds (distance) C4'-P energy: -87.327
bonds (distance) P-C4' energy: -89.512
flat angles C4'-P-C4' energy: -104.555
flat angles P-C4'-P energy: -50.870
tors. eta vs tors. theta energy: -124.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 157
Temperature: 1.000000
Total energy: -900.486987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -900.486987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -900.486987 (E_RNA)
where:
Base-Base interactions energy: -493.939
where: short stacking energy: -293.815
Base-Backbone interact. energy: -2.724
local terms energy: -403.824210
where:
bonds (distance) C4'-P energy: -90.396
bonds (distance) P-C4' energy: -98.854
flat angles C4'-P-C4' energy: -84.551
flat angles P-C4'-P energy: -60.579
tors. eta vs tors. theta energy: -69.444
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: 7
=====================================
Write number: 157
Temperature: 1.050000
Total energy: -685.196643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -685.196643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -685.196643 (E_RNA)
where:
Base-Base interactions energy: -332.560
where: short stacking energy: -217.770
Base-Backbone interact. energy: -0.132
local terms energy: -352.503934
where:
bonds (distance) C4'-P energy: -77.983
bonds (distance) P-C4' energy: -92.606
flat angles C4'-P-C4' energy: -86.091
flat angles P-C4'-P energy: -60.628
tors. eta vs tors. theta energy: -35.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 157
Temperature: 1.100000
Total energy: -706.777928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -706.777928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -706.777928 (E_RNA)
where:
Base-Base interactions energy: -366.323
where: short stacking energy: -246.840
Base-Backbone interact. energy: -1.817
local terms energy: -338.637624
where:
bonds (distance) C4'-P energy: -76.358
bonds (distance) P-C4' energy: -86.839
flat angles C4'-P-C4' energy: -87.165
flat angles P-C4'-P energy: -44.612
tors. eta vs tors. theta energy: -43.664
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 157
Temperature: 1.150000
Total energy: -581.163025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -581.163025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -581.163025 (E_RNA)
where:
Base-Base interactions energy: -239.565
where: short stacking energy: -186.745
Base-Backbone interact. energy: 1.398
local terms energy: -342.995717
where:
bonds (distance) C4'-P energy: -75.797
bonds (distance) P-C4' energy: -93.909
flat angles C4'-P-C4' energy: -85.795
flat angles P-C4'-P energy: -57.795
tors. eta vs tors. theta energy: -29.700
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 157
Temperature: 1.200000
Total energy: -514.574199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.574199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.574199 (E_RNA)
where:
Base-Base interactions energy: -246.103
where: short stacking energy: -153.502
Base-Backbone interact. energy: 0.983
local terms energy: -269.454181
where:
bonds (distance) C4'-P energy: -68.118
bonds (distance) P-C4' energy: -81.830
flat angles C4'-P-C4' energy: -69.717
flat angles P-C4'-P energy: -38.663
tors. eta vs tors. theta energy: -11.127
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 157
Temperature: 1.250000
Total energy: -462.887188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.887188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -462.887188 (E_RNA)
where:
Base-Base interactions energy: -170.292
where: short stacking energy: -128.902
Base-Backbone interact. energy: -3.158
local terms energy: -289.436523
where:
bonds (distance) C4'-P energy: -72.541
bonds (distance) P-C4' energy: -88.142
flat angles C4'-P-C4' energy: -67.103
flat angles P-C4'-P energy: -48.066
tors. eta vs tors. theta energy: -13.585
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 157
Temperature: 1.300000
Total energy: -368.816078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.816078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.816078 (E_RNA)
where:
Base-Base interactions energy: -116.620
where: short stacking energy: -99.849
Base-Backbone interact. energy: 2.031
local terms energy: -254.227232
where:
bonds (distance) C4'-P energy: -78.319
bonds (distance) P-C4' energy: -86.118
flat angles C4'-P-C4' energy: -63.801
flat angles P-C4'-P energy: -37.461
tors. eta vs tors. theta energy: 11.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 157
Temperature: 1.350000
Total energy: -361.654464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.654464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.654464 (E_RNA)
where:
Base-Base interactions energy: -114.389
where: short stacking energy: -108.162
Base-Backbone interact. energy: -0.065
local terms energy: -247.200456
where:
bonds (distance) C4'-P energy: -67.347
bonds (distance) P-C4' energy: -78.310
flat angles C4'-P-C4' energy: -62.719
flat angles P-C4'-P energy: -45.616
tors. eta vs tors. theta energy: 6.790
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 158
Temperature: 0.900000
Total energy: -1261.481583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1261.481583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1261.481583 (E_RNA)
where:
Base-Base interactions energy: -761.531
where: short stacking energy: -420.966
Base-Backbone interact. energy: -1.474
local terms energy: -498.476315
where:
bonds (distance) C4'-P energy: -91.083
bonds (distance) P-C4' energy: -102.145
flat angles C4'-P-C4' energy: -102.970
flat angles P-C4'-P energy: -75.967
tors. eta vs tors. theta energy: -126.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 158
Temperature: 0.950000
Total energy: -1141.433755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1141.433755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1141.433755 (E_RNA)
where:
Base-Base interactions energy: -680.932
where: short stacking energy: -410.540
Base-Backbone interact. energy: -1.300
local terms energy: -459.202162
where:
bonds (distance) C4'-P energy: -98.919
bonds (distance) P-C4' energy: -88.165
flat angles C4'-P-C4' energy: -94.703
flat angles P-C4'-P energy: -58.073
tors. eta vs tors. theta energy: -119.343
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 158
Temperature: 1.000000
Total energy: -899.656198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -899.656198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -899.656198 (E_RNA)
where:
Base-Base interactions energy: -479.132
where: short stacking energy: -305.082
Base-Backbone interact. energy: -0.888
local terms energy: -419.636367
where:
bonds (distance) C4'-P energy: -93.134
bonds (distance) P-C4' energy: -85.615
flat angles C4'-P-C4' energy: -98.624
flat angles P-C4'-P energy: -59.126
tors. eta vs tors. theta energy: -83.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 158
Temperature: 1.050000
Total energy: -714.152336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -714.152336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -714.152336 (E_RNA)
where:
Base-Base interactions energy: -341.229
where: short stacking energy: -234.050
Base-Backbone interact. energy: 3.162
local terms energy: -376.084999
where:
bonds (distance) C4'-P energy: -85.283
bonds (distance) P-C4' energy: -79.059
flat angles C4'-P-C4' energy: -95.633
flat angles P-C4'-P energy: -67.468
tors. eta vs tors. theta energy: -48.643
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: 5, replica: 6
=====================================
Write number: 158
Temperature: 1.100000
Total energy: -656.599368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -656.599368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -656.599368 (E_RNA)
where:
Base-Base interactions energy: -326.899
where: short stacking energy: -202.084
Base-Backbone interact. energy: 3.505
local terms energy: -333.205113
where:
bonds (distance) C4'-P energy: -85.569
bonds (distance) P-C4' energy: -87.044
flat angles C4'-P-C4' energy: -83.263
flat angles P-C4'-P energy: -47.811
tors. eta vs tors. theta energy: -29.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 158
Temperature: 1.150000
Total energy: -523.977422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.977422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.977422 (E_RNA)
where:
Base-Base interactions energy: -216.109
where: short stacking energy: -147.251
Base-Backbone interact. energy: 0.242
local terms energy: -308.109938
where:
bonds (distance) C4'-P energy: -87.436
bonds (distance) P-C4' energy: -80.200
flat angles C4'-P-C4' energy: -84.610
flat angles P-C4'-P energy: -54.602
tors. eta vs tors. theta energy: -1.263
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 158
Temperature: 1.200000
Total energy: -517.256360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.256360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.256360 (E_RNA)
where:
Base-Base interactions energy: -209.295
where: short stacking energy: -132.587
Base-Backbone interact. energy: -1.048
local terms energy: -306.913521
where:
bonds (distance) C4'-P energy: -90.012
bonds (distance) P-C4' energy: -89.244
flat angles C4'-P-C4' energy: -78.020
flat angles P-C4'-P energy: -43.630
tors. eta vs tors. theta energy: -6.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 158
Temperature: 1.250000
Total energy: -426.365795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -426.365795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -426.365795 (E_RNA)
where:
Base-Base interactions energy: -151.629
where: short stacking energy: -106.157
Base-Backbone interact. energy: 2.771
local terms energy: -277.508241
where:
bonds (distance) C4'-P energy: -84.477
bonds (distance) P-C4' energy: -83.288
flat angles C4'-P-C4' energy: -81.501
flat angles P-C4'-P energy: -31.668
tors. eta vs tors. theta energy: 3.426
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: 158
Temperature: 1.300000
Total energy: -378.041571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -378.041571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -378.041571 (E_RNA)
where:
Base-Base interactions energy: -132.787
where: short stacking energy: -108.977
Base-Backbone interact. energy: 1.332
local terms energy: -246.585758
where:
bonds (distance) C4'-P energy: -74.837
bonds (distance) P-C4' energy: -86.796
flat angles C4'-P-C4' energy: -69.536
flat angles P-C4'-P energy: -40.553
tors. eta vs tors. theta energy: 25.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 158
Temperature: 1.350000
Total energy: -342.153602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.153602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.153602 (E_RNA)
where:
Base-Base interactions energy: -129.677
where: short stacking energy: -116.148
Base-Backbone interact. energy: 12.379
local terms energy: -224.855412
where:
bonds (distance) C4'-P energy: -76.034
bonds (distance) P-C4' energy: -58.459
flat angles C4'-P-C4' energy: -71.344
flat angles P-C4'-P energy: -38.469
tors. eta vs tors. theta energy: 19.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 159
Temperature: 0.900000
Total energy: -1255.426775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1255.426775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1255.426775 (E_RNA)
where:
Base-Base interactions energy: -769.123
where: short stacking energy: -454.692
Base-Backbone interact. energy: -0.928
local terms energy: -485.376623
where:
bonds (distance) C4'-P energy: -105.610
bonds (distance) P-C4' energy: -83.522
flat angles C4'-P-C4' energy: -102.588
flat angles P-C4'-P energy: -66.859
tors. eta vs tors. theta energy: -126.798
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: 159
Temperature: 0.950000
Total energy: -1118.970783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1118.970783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1118.970783 (E_RNA)
where:
Base-Base interactions energy: -650.634
where: short stacking energy: -392.230
Base-Backbone interact. energy: -0.898
local terms energy: -467.438355
where:
bonds (distance) C4'-P energy: -95.512
bonds (distance) P-C4' energy: -93.258
flat angles C4'-P-C4' energy: -102.399
flat angles P-C4'-P energy: -60.716
tors. eta vs tors. theta energy: -115.553
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 159
Temperature: 1.000000
Total energy: -901.609395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -901.609395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -901.609395 (E_RNA)
where:
Base-Base interactions energy: -465.633
where: short stacking energy: -292.163
Base-Backbone interact. energy: -1.088
local terms energy: -434.888261
where:
bonds (distance) C4'-P energy: -95.125
bonds (distance) P-C4' energy: -102.096
flat angles C4'-P-C4' energy: -98.612
flat angles P-C4'-P energy: -65.655
tors. eta vs tors. theta energy: -73.401
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: 6
=====================================
Write number: 159
Temperature: 1.050000
Total energy: -762.353007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -762.353007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -762.353007 (E_RNA)
where:
Base-Base interactions energy: -396.800
where: short stacking energy: -261.457
Base-Backbone interact. energy: -0.945
local terms energy: -364.607636
where:
bonds (distance) C4'-P energy: -71.263
bonds (distance) P-C4' energy: -88.113
flat angles C4'-P-C4' energy: -95.750
flat angles P-C4'-P energy: -50.690
tors. eta vs tors. theta energy: -58.792
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: 5, replica: 7
=====================================
Write number: 159
Temperature: 1.100000
Total energy: -678.555874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -678.555874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -678.555874 (E_RNA)
where:
Base-Base interactions energy: -338.638
where: short stacking energy: -204.389
Base-Backbone interact. energy: 1.368
local terms energy: -341.286501
where:
bonds (distance) C4'-P energy: -81.551
bonds (distance) P-C4' energy: -89.085
flat angles C4'-P-C4' energy: -71.080
flat angles P-C4'-P energy: -49.337
tors. eta vs tors. theta energy: -50.233
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: 3
=====================================
Write number: 159
Temperature: 1.150000
Total energy: -574.673070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -574.673070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -574.673070 (E_RNA)
where:
Base-Base interactions energy: -266.705
where: short stacking energy: -169.960
Base-Backbone interact. energy: 0.291
local terms energy: -308.259206
where:
bonds (distance) C4'-P energy: -72.051
bonds (distance) P-C4' energy: -82.620
flat angles C4'-P-C4' energy: -85.563
flat angles P-C4'-P energy: -40.175
tors. eta vs tors. theta energy: -27.851
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 159
Temperature: 1.200000
Total energy: -501.745778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.745778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.745778 (E_RNA)
where:
Base-Base interactions energy: -218.873
where: short stacking energy: -163.543
Base-Backbone interact. energy: -2.898
local terms energy: -279.975079
where:
bonds (distance) C4'-P energy: -88.318
bonds (distance) P-C4' energy: -69.968
flat angles C4'-P-C4' energy: -78.957
flat angles P-C4'-P energy: -42.440
tors. eta vs tors. theta energy: -0.291
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 159
Temperature: 1.250000
Total energy: -475.573629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -475.573629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -475.573629 (E_RNA)
where:
Base-Base interactions energy: -192.982
where: short stacking energy: -131.074
Base-Backbone interact. energy: 0.570
local terms energy: -283.161871
where:
bonds (distance) C4'-P energy: -87.513
bonds (distance) P-C4' energy: -86.948
flat angles C4'-P-C4' energy: -72.021
flat angles P-C4'-P energy: -25.926
tors. eta vs tors. theta energy: -10.753
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: 8
=====================================
Write number: 159
Temperature: 1.300000
Total energy: -407.127569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.127569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -407.127569 (E_RNA)
where:
Base-Base interactions energy: -135.896
where: short stacking energy: -118.895
Base-Backbone interact. energy: -1.676
local terms energy: -269.555990
where:
bonds (distance) C4'-P energy: -73.557
bonds (distance) P-C4' energy: -88.952
flat angles C4'-P-C4' energy: -62.776
flat angles P-C4'-P energy: -48.278
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: 10, replica: 10
=====================================
Write number: 159
Temperature: 1.350000
Total energy: -348.258476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.258476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.258476 (E_RNA)
where:
Base-Base interactions energy: -97.431
where: short stacking energy: -88.846
Base-Backbone interact. energy: 1.624
local terms energy: -252.451998
where:
bonds (distance) C4'-P energy: -77.586
bonds (distance) P-C4' energy: -84.006
flat angles C4'-P-C4' energy: -74.475
flat angles P-C4'-P energy: -32.417
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: 1, replica: 1
=====================================
Write number: 160
Temperature: 0.900000
Total energy: -1221.575150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1221.575150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1221.575150 (E_RNA)
where:
Base-Base interactions energy: -740.369
where: short stacking energy: -417.940
Base-Backbone interact. energy: -0.653
local terms energy: -480.552394
where:
bonds (distance) C4'-P energy: -94.174
bonds (distance) P-C4' energy: -98.827
flat angles C4'-P-C4' energy: -101.366
flat angles P-C4'-P energy: -68.189
tors. eta vs tors. theta energy: -117.996
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: 160
Temperature: 0.950000
Total energy: -1111.968879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1111.968879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1111.968879 (E_RNA)
where:
Base-Base interactions energy: -635.723
where: short stacking energy: -394.602
Base-Backbone interact. energy: -1.136
local terms energy: -475.109926
where:
bonds (distance) C4'-P energy: -81.378
bonds (distance) P-C4' energy: -95.995
flat angles C4'-P-C4' energy: -103.664
flat angles P-C4'-P energy: -71.462
tors. eta vs tors. theta energy: -122.611
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: 2
=====================================
Write number: 160
Temperature: 1.000000
Total energy: -909.440003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -909.440003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -909.440003 (E_RNA)
where:
Base-Base interactions energy: -499.277
where: short stacking energy: -321.923
Base-Backbone interact. energy: 1.766
local terms energy: -411.929254
where:
bonds (distance) C4'-P energy: -93.768
bonds (distance) P-C4' energy: -91.722
flat angles C4'-P-C4' energy: -91.350
flat angles P-C4'-P energy: -57.365
tors. eta vs tors. theta energy: -77.725
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 160
Temperature: 1.050000
Total energy: -816.914001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -816.914001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -816.914001 (E_RNA)
where:
Base-Base interactions energy: -437.895
where: short stacking energy: -286.379
Base-Backbone interact. energy: -1.465
local terms energy: -377.553871
where:
bonds (distance) C4'-P energy: -87.380
bonds (distance) P-C4' energy: -85.147
flat angles C4'-P-C4' energy: -85.388
flat angles P-C4'-P energy: -50.344
tors. eta vs tors. theta energy: -69.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 160
Temperature: 1.100000
Total energy: -741.022348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -741.022348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -741.022348 (E_RNA)
where:
Base-Base interactions energy: -372.092
where: short stacking energy: -236.090
Base-Backbone interact. energy: 1.448
local terms energy: -370.379217
where:
bonds (distance) C4'-P energy: -84.293
bonds (distance) P-C4' energy: -99.097
flat angles C4'-P-C4' energy: -77.661
flat angles P-C4'-P energy: -58.574
tors. eta vs tors. theta energy: -50.754
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 160
Temperature: 1.150000
Total energy: -596.732757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -596.732757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -596.732757 (E_RNA)
where:
Base-Base interactions energy: -267.324
where: short stacking energy: -189.323
Base-Backbone interact. energy: -1.940
local terms energy: -327.468607
where:
bonds (distance) C4'-P energy: -78.787
bonds (distance) P-C4' energy: -88.934
flat angles C4'-P-C4' energy: -83.369
flat angles P-C4'-P energy: -39.059
tors. eta vs tors. theta energy: -37.320
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: 160
Temperature: 1.200000
Total energy: -517.301320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.301320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.301320 (E_RNA)
where:
Base-Base interactions energy: -216.309
where: short stacking energy: -168.251
Base-Backbone interact. energy: -1.220
local terms energy: -299.771685
where:
bonds (distance) C4'-P energy: -72.429
bonds (distance) P-C4' energy: -91.774
flat angles C4'-P-C4' energy: -85.749
flat angles P-C4'-P energy: -40.170
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: 8, replica: 5
=====================================
Write number: 160
Temperature: 1.250000
Total energy: -477.027486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -477.027486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -477.027486 (E_RNA)
where:
Base-Base interactions energy: -184.103
where: short stacking energy: -146.567
Base-Backbone interact. energy: -0.274
local terms energy: -292.651111
where:
bonds (distance) C4'-P energy: -90.876
bonds (distance) P-C4' energy: -82.871
flat angles C4'-P-C4' energy: -52.651
flat angles P-C4'-P energy: -57.346
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: 9, replica: 8
=====================================
Write number: 160
Temperature: 1.300000
Total energy: -382.280713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -382.280713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -382.280713 (E_RNA)
where:
Base-Base interactions energy: -152.342
where: short stacking energy: -123.400
Base-Backbone interact. energy: 2.254
local terms energy: -232.192899
where:
bonds (distance) C4'-P energy: -73.592
bonds (distance) P-C4' energy: -69.589
flat angles C4'-P-C4' energy: -75.400
flat angles P-C4'-P energy: -21.013
tors. eta vs tors. theta energy: 7.402
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 160
Temperature: 1.350000
Total energy: -349.067054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.067054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.067054 (E_RNA)
where:
Base-Base interactions energy: -106.910
where: short stacking energy: -90.236
Base-Backbone interact. energy: 0.134
local terms energy: -242.290709
where:
bonds (distance) C4'-P energy: -72.680
bonds (distance) P-C4' energy: -73.318
flat angles C4'-P-C4' energy: -52.786
flat angles P-C4'-P energy: -41.170
tors. eta vs tors. theta energy: -2.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 161
Temperature: 0.900000
Total energy: -1237.599425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1237.599425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1237.599425 (E_RNA)
where:
Base-Base interactions energy: -741.868
where: short stacking energy: -433.326
Base-Backbone interact. energy: -1.051
local terms energy: -494.680014
where:
bonds (distance) C4'-P energy: -92.703
bonds (distance) P-C4' energy: -89.754
flat angles C4'-P-C4' energy: -104.394
flat angles P-C4'-P energy: -75.399
tors. eta vs tors. theta energy: -132.430
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 161
Temperature: 0.950000
Total energy: -1104.007405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1104.007405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1104.007405 (E_RNA)
where:
Base-Base interactions energy: -655.508
where: short stacking energy: -379.175
Base-Backbone interact. energy: -1.477
local terms energy: -447.021793
where:
bonds (distance) C4'-P energy: -90.574
bonds (distance) P-C4' energy: -91.158
flat angles C4'-P-C4' energy: -89.336
flat angles P-C4'-P energy: -57.097
tors. eta vs tors. theta energy: -118.856
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: 2
=====================================
Write number: 161
Temperature: 1.000000
Total energy: -941.356877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -941.356877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -941.356877 (E_RNA)
where:
Base-Base interactions energy: -534.982
where: short stacking energy: -302.329
Base-Backbone interact. energy: -1.657
local terms energy: -404.717533
where:
bonds (distance) C4'-P energy: -104.064
bonds (distance) P-C4' energy: -86.005
flat angles C4'-P-C4' energy: -83.027
flat angles P-C4'-P energy: -58.695
tors. eta vs tors. theta energy: -72.927
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 161
Temperature: 1.050000
Total energy: -762.405907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -762.405907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -762.405907 (E_RNA)
where:
Base-Base interactions energy: -374.343
where: short stacking energy: -262.383
Base-Backbone interact. energy: 1.599
local terms energy: -389.661967
where:
bonds (distance) C4'-P energy: -85.993
bonds (distance) P-C4' energy: -91.664
flat angles C4'-P-C4' energy: -99.252
flat angles P-C4'-P energy: -56.232
tors. eta vs tors. theta energy: -56.521
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 161
Temperature: 1.100000
Total energy: -728.744456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -728.744456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -728.744456 (E_RNA)
where:
Base-Base interactions energy: -370.493
where: short stacking energy: -226.508
Base-Backbone interact. energy: 0.986
local terms energy: -359.237402
where:
bonds (distance) C4'-P energy: -86.610
bonds (distance) P-C4' energy: -84.715
flat angles C4'-P-C4' energy: -86.613
flat angles P-C4'-P energy: -50.264
tors. eta vs tors. theta energy: -51.035
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: 3
=====================================
Write number: 161
Temperature: 1.150000
Total energy: -581.023139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -581.023139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -581.023139 (E_RNA)
where:
Base-Base interactions energy: -267.594
where: short stacking energy: -196.393
Base-Backbone interact. energy: -2.947
local terms energy: -310.481470
where:
bonds (distance) C4'-P energy: -78.231
bonds (distance) P-C4' energy: -85.574
flat angles C4'-P-C4' energy: -69.525
flat angles P-C4'-P energy: -48.114
tors. eta vs tors. theta energy: -29.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 161
Temperature: 1.200000
Total energy: -514.509761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.509761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.509761 (E_RNA)
where:
Base-Base interactions energy: -216.053
where: short stacking energy: -181.670
Base-Backbone interact. energy: 1.975
local terms energy: -300.431589
where:
bonds (distance) C4'-P energy: -79.570
bonds (distance) P-C4' energy: -84.308
flat angles C4'-P-C4' energy: -79.646
flat angles P-C4'-P energy: -27.936
tors. eta vs tors. theta energy: -28.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 161
Temperature: 1.250000
Total energy: -444.669099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -444.669099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -444.669099 (E_RNA)
where:
Base-Base interactions energy: -175.100
where: short stacking energy: -135.504
Base-Backbone interact. energy: -1.598
local terms energy: -267.971354
where:
bonds (distance) C4'-P energy: -70.473
bonds (distance) P-C4' energy: -86.928
flat angles C4'-P-C4' energy: -71.784
flat angles P-C4'-P energy: -37.744
tors. eta vs tors. theta energy: -1.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 161
Temperature: 1.300000
Total energy: -409.593062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -409.593062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -409.593062 (E_RNA)
where:
Base-Base interactions energy: -144.135
where: short stacking energy: -118.093
Base-Backbone interact. energy: -2.078
local terms energy: -263.379760
where:
bonds (distance) C4'-P energy: -68.895
bonds (distance) P-C4' energy: -75.643
flat angles C4'-P-C4' energy: -85.679
flat angles P-C4'-P energy: -34.838
tors. eta vs tors. theta energy: 1.676
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: 10
=====================================
Write number: 161
Temperature: 1.350000
Total energy: -351.215503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.215503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.215503 (E_RNA)
where:
Base-Base interactions energy: -104.688
where: short stacking energy: -99.574
Base-Backbone interact. energy: 1.074
local terms energy: -247.602435
where:
bonds (distance) C4'-P energy: -78.047
bonds (distance) P-C4' energy: -87.455
flat angles C4'-P-C4' energy: -59.929
flat angles P-C4'-P energy: -23.801
tors. eta vs tors. theta energy: 1.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 162
Temperature: 0.900000
Total energy: -1253.253193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1253.253193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1253.253193 (E_RNA)
where:
Base-Base interactions energy: -757.058
where: short stacking energy: -433.020
Base-Backbone interact. energy: -1.883
local terms energy: -494.312952
where:
bonds (distance) C4'-P energy: -91.415
bonds (distance) P-C4' energy: -105.870
flat angles C4'-P-C4' energy: -97.414
flat angles P-C4'-P energy: -68.697
tors. eta vs tors. theta energy: -130.917
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 162
Temperature: 0.950000
Total energy: -1102.235221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1102.235221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1102.235221 (E_RNA)
where:
Base-Base interactions energy: -629.518
where: short stacking energy: -368.480
Base-Backbone interact. energy: -1.614
local terms energy: -471.103054
where:
bonds (distance) C4'-P energy: -97.703
bonds (distance) P-C4' energy: -87.168
flat angles C4'-P-C4' energy: -100.991
flat angles P-C4'-P energy: -62.789
tors. eta vs tors. theta energy: -122.453
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: 162
Temperature: 1.000000
Total energy: -947.662871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -947.662871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -947.662871 (E_RNA)
where:
Base-Base interactions energy: -546.644
where: short stacking energy: -304.804
Base-Backbone interact. energy: -2.061
local terms energy: -398.957827
where:
bonds (distance) C4'-P energy: -77.891
bonds (distance) P-C4' energy: -103.081
flat angles C4'-P-C4' energy: -88.623
flat angles P-C4'-P energy: -53.410
tors. eta vs tors. theta energy: -75.953
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 162
Temperature: 1.050000
Total energy: -767.431606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -767.431606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -767.431606 (E_RNA)
where:
Base-Base interactions energy: -383.614
where: short stacking energy: -258.911
Base-Backbone interact. energy: -2.076
local terms energy: -381.741925
where:
bonds (distance) C4'-P energy: -85.441
bonds (distance) P-C4' energy: -88.939
flat angles C4'-P-C4' energy: -81.580
flat angles P-C4'-P energy: -56.760
tors. eta vs tors. theta energy: -69.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 162
Temperature: 1.100000
Total energy: -711.677825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -711.677825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -711.677825 (E_RNA)
where:
Base-Base interactions energy: -356.200
where: short stacking energy: -225.532
Base-Backbone interact. energy: 3.712
local terms energy: -359.189160
where:
bonds (distance) C4'-P energy: -81.501
bonds (distance) P-C4' energy: -72.233
flat angles C4'-P-C4' energy: -86.274
flat angles P-C4'-P energy: -66.554
tors. eta vs tors. theta energy: -52.626
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 162
Temperature: 1.150000
Total energy: -549.650887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.650887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.650887 (E_RNA)
where:
Base-Base interactions energy: -228.857
where: short stacking energy: -180.728
Base-Backbone interact. energy: 0.010
local terms energy: -320.803605
where:
bonds (distance) C4'-P energy: -64.472
bonds (distance) P-C4' energy: -94.312
flat angles C4'-P-C4' energy: -92.089
flat angles P-C4'-P energy: -50.668
tors. eta vs tors. theta energy: -19.263
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: 9
=====================================
Write number: 162
Temperature: 1.200000
Total energy: -532.369447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.369447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.369447 (E_RNA)
where:
Base-Base interactions energy: -223.925
where: short stacking energy: -164.070
Base-Backbone interact. energy: -0.692
local terms energy: -307.752820
where:
bonds (distance) C4'-P energy: -86.273
bonds (distance) P-C4' energy: -86.876
flat angles C4'-P-C4' energy: -75.122
flat angles P-C4'-P energy: -43.220
tors. eta vs tors. theta energy: -16.262
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 162
Temperature: 1.250000
Total energy: -430.917524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -430.917524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -430.917524 (E_RNA)
where:
Base-Base interactions energy: -140.280
where: short stacking energy: -126.974
Base-Backbone interact. energy: -0.606
local terms energy: -290.031058
where:
bonds (distance) C4'-P energy: -84.264
bonds (distance) P-C4' energy: -84.986
flat angles C4'-P-C4' energy: -71.443
flat angles P-C4'-P energy: -41.837
tors. eta vs tors. theta energy: -7.501
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 162
Temperature: 1.300000
Total energy: -405.814565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -405.814565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -405.814565 (E_RNA)
where:
Base-Base interactions energy: -156.963
where: short stacking energy: -113.892
Base-Backbone interact. energy: 1.908
local terms energy: -250.759223
where:
bonds (distance) C4'-P energy: -72.896
bonds (distance) P-C4' energy: -85.566
flat angles C4'-P-C4' energy: -52.405
flat angles P-C4'-P energy: -46.589
tors. eta vs tors. theta energy: 6.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 162
Temperature: 1.350000
Total energy: -348.426396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.426396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.426396 (E_RNA)
where:
Base-Base interactions energy: -107.031
where: short stacking energy: -90.309
Base-Backbone interact. energy: 5.219
local terms energy: -246.614237
where:
bonds (distance) C4'-P energy: -72.482
bonds (distance) P-C4' energy: -86.651
flat angles C4'-P-C4' energy: -59.534
flat angles P-C4'-P energy: -45.888
tors. eta vs tors. theta energy: 17.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 163
Temperature: 0.900000
Total energy: -1260.960196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1260.960196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1260.960196 (E_RNA)
where:
Base-Base interactions energy: -776.196
where: short stacking energy: -435.629
Base-Backbone interact. energy: -1.637
local terms energy: -483.127493
where:
bonds (distance) C4'-P energy: -87.504
bonds (distance) P-C4' energy: -94.002
flat angles C4'-P-C4' energy: -106.157
flat angles P-C4'-P energy: -65.929
tors. eta vs tors. theta energy: -129.535
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: 4
=====================================
Write number: 163
Temperature: 0.950000
Total energy: -1146.088066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1146.088066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1146.088066 (E_RNA)
where:
Base-Base interactions energy: -655.864
where: short stacking energy: -410.169
Base-Backbone interact. energy: -0.848
local terms energy: -489.375741
where:
bonds (distance) C4'-P energy: -94.589
bonds (distance) P-C4' energy: -88.373
flat angles C4'-P-C4' energy: -110.430
flat angles P-C4'-P energy: -73.961
tors. eta vs tors. theta energy: -122.023
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 163
Temperature: 1.000000
Total energy: -936.881158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -936.881158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -936.881158 (E_RNA)
where:
Base-Base interactions energy: -530.583
where: short stacking energy: -301.698
Base-Backbone interact. energy: 1.268
local terms energy: -407.566063
where:
bonds (distance) C4'-P energy: -84.571
bonds (distance) P-C4' energy: -94.065
flat angles C4'-P-C4' energy: -93.216
flat angles P-C4'-P energy: -70.357
tors. eta vs tors. theta energy: -65.357
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: 4, replica: 6
=====================================
Write number: 163
Temperature: 1.050000
Total energy: -747.098079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -747.098079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -747.098079 (E_RNA)
where:
Base-Base interactions energy: -388.564
where: short stacking energy: -272.639
Base-Backbone interact. energy: -0.907
local terms energy: -357.627637
where:
bonds (distance) C4'-P energy: -78.545
bonds (distance) P-C4' energy: -87.317
flat angles C4'-P-C4' energy: -82.683
flat angles P-C4'-P energy: -45.094
tors. eta vs tors. theta energy: -63.989
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: 7
=====================================
Write number: 163
Temperature: 1.100000
Total energy: -677.672527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -677.672527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -677.672527 (E_RNA)
where:
Base-Base interactions energy: -320.332
where: short stacking energy: -213.487
Base-Backbone interact. energy: -1.490
local terms energy: -355.850435
where:
bonds (distance) C4'-P energy: -88.644
bonds (distance) P-C4' energy: -78.445
flat angles C4'-P-C4' energy: -99.558
flat angles P-C4'-P energy: -55.363
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: 6, replica: 9
=====================================
Write number: 163
Temperature: 1.150000
Total energy: -603.910570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -603.910570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -603.910570 (E_RNA)
where:
Base-Base interactions energy: -281.487
where: short stacking energy: -192.792
Base-Backbone interact. energy: 3.052
local terms energy: -325.476051
where:
bonds (distance) C4'-P energy: -84.136
bonds (distance) P-C4' energy: -89.132
flat angles C4'-P-C4' energy: -77.432
flat angles P-C4'-P energy: -47.377
tors. eta vs tors. theta energy: -27.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 163
Temperature: 1.200000
Total energy: -535.478713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.478713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.478713 (E_RNA)
where:
Base-Base interactions energy: -246.825
where: short stacking energy: -177.824
Base-Backbone interact. energy: -0.939
local terms energy: -287.715302
where:
bonds (distance) C4'-P energy: -71.875
bonds (distance) P-C4' energy: -90.047
flat angles C4'-P-C4' energy: -84.236
flat angles P-C4'-P energy: -36.786
tors. eta vs tors. theta energy: -4.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 163
Temperature: 1.250000
Total energy: -401.383222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -401.383222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -401.383222 (E_RNA)
where:
Base-Base interactions energy: -118.343
where: short stacking energy: -100.388
Base-Backbone interact. energy: 1.317
local terms energy: -284.357559
where:
bonds (distance) C4'-P energy: -73.147
bonds (distance) P-C4' energy: -93.080
flat angles C4'-P-C4' energy: -75.777
flat angles P-C4'-P energy: -44.931
tors. eta vs tors. theta energy: 2.577
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 163
Temperature: 1.300000
Total energy: -380.717984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -380.717984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -380.717984 (E_RNA)
where:
Base-Base interactions energy: -129.623
where: short stacking energy: -100.800
Base-Backbone interact. energy: 2.406
local terms energy: -253.501922
where:
bonds (distance) C4'-P energy: -61.493
bonds (distance) P-C4' energy: -83.791
flat angles C4'-P-C4' energy: -70.090
flat angles P-C4'-P energy: -46.585
tors. eta vs tors. theta energy: 8.458
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 163
Temperature: 1.350000
Total energy: -355.310813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.310813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.310813 (E_RNA)
where:
Base-Base interactions energy: -99.852
where: short stacking energy: -99.748
Base-Backbone interact. energy: 4.262
local terms energy: -259.721178
where:
bonds (distance) C4'-P energy: -72.874
bonds (distance) P-C4' energy: -76.466
flat angles C4'-P-C4' energy: -61.467
flat angles P-C4'-P energy: -56.012
tors. eta vs tors. theta energy: 7.098
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: 1, replica: 1
=====================================
Write number: 164
Temperature: 0.900000
Total energy: -1259.424138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1259.424138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1259.424138 (E_RNA)
where:
Base-Base interactions energy: -770.758
where: short stacking energy: -429.018
Base-Backbone interact. energy: 0.585
local terms energy: -489.251231
where:
bonds (distance) C4'-P energy: -95.099
bonds (distance) P-C4' energy: -92.162
flat angles C4'-P-C4' energy: -104.915
flat angles P-C4'-P energy: -68.001
tors. eta vs tors. theta energy: -129.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 164
Temperature: 0.950000
Total energy: -1079.837471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1079.837471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1079.837471 (E_RNA)
where:
Base-Base interactions energy: -603.980
where: short stacking energy: -381.789
Base-Backbone interact. energy: 0.391
local terms energy: -476.248041
where:
bonds (distance) C4'-P energy: -99.075
bonds (distance) P-C4' energy: -98.525
flat angles C4'-P-C4' energy: -101.127
flat angles P-C4'-P energy: -63.942
tors. eta vs tors. theta energy: -113.580
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: 164
Temperature: 1.000000
Total energy: -976.141002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -976.141002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -976.141002 (E_RNA)
where:
Base-Base interactions energy: -548.113
where: short stacking energy: -344.055
Base-Backbone interact. energy: -0.712
local terms energy: -427.316141
where:
bonds (distance) C4'-P energy: -86.052
bonds (distance) P-C4' energy: -91.915
flat angles C4'-P-C4' energy: -98.611
flat angles P-C4'-P energy: -53.435
tors. eta vs tors. theta energy: -97.303
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 164
Temperature: 1.050000
Total energy: -763.225062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -763.225062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -763.225062 (E_RNA)
where:
Base-Base interactions energy: -364.825
where: short stacking energy: -266.509
Base-Backbone interact. energy: -1.803
local terms energy: -396.596150
where:
bonds (distance) C4'-P energy: -88.516
bonds (distance) P-C4' energy: -91.052
flat angles C4'-P-C4' energy: -86.994
flat angles P-C4'-P energy: -59.628
tors. eta vs tors. theta energy: -70.405
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: 5, replica: 7
=====================================
Write number: 164
Temperature: 1.100000
Total energy: -671.027429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -671.027429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -671.027429 (E_RNA)
where:
Base-Base interactions energy: -323.222
where: short stacking energy: -228.957
Base-Backbone interact. energy: -1.708
local terms energy: -346.097157
where:
bonds (distance) C4'-P energy: -84.839
bonds (distance) P-C4' energy: -83.709
flat angles C4'-P-C4' energy: -80.836
flat angles P-C4'-P energy: -53.676
tors. eta vs tors. theta energy: -43.037
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: 9
=====================================
Write number: 164
Temperature: 1.150000
Total energy: -573.489464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -573.489464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -573.489464 (E_RNA)
where:
Base-Base interactions energy: -243.315
where: short stacking energy: -171.960
Base-Backbone interact. energy: -1.086
local terms energy: -329.088697
where:
bonds (distance) C4'-P energy: -83.348
bonds (distance) P-C4' energy: -92.450
flat angles C4'-P-C4' energy: -85.473
flat angles P-C4'-P energy: -50.145
tors. eta vs tors. theta energy: -17.673
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: 7, replica: 3
=====================================
Write number: 164
Temperature: 1.200000
Total energy: -504.475809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.475809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.475809 (E_RNA)
where:
Base-Base interactions energy: -183.148
where: short stacking energy: -139.854
Base-Backbone interact. energy: 1.501
local terms energy: -322.829404
where:
bonds (distance) C4'-P energy: -83.790
bonds (distance) P-C4' energy: -94.864
flat angles C4'-P-C4' energy: -75.831
flat angles P-C4'-P energy: -46.288
tors. eta vs tors. theta energy: -22.057
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: 5
=====================================
Write number: 164
Temperature: 1.250000
Total energy: -392.559525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.559525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -392.559525 (E_RNA)
where:
Base-Base interactions energy: -127.310
where: short stacking energy: -104.564
Base-Backbone interact. energy: 0.667
local terms energy: -265.915925
where:
bonds (distance) C4'-P energy: -82.638
bonds (distance) P-C4' energy: -90.475
flat angles C4'-P-C4' energy: -71.084
flat angles P-C4'-P energy: -36.658
tors. eta vs tors. theta energy: 14.940
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: 9, replica: 10
=====================================
Write number: 164
Temperature: 1.300000
Total energy: -401.206994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -401.206994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -401.206994 (E_RNA)
where:
Base-Base interactions energy: -137.948
where: short stacking energy: -134.127
Base-Backbone interact. energy: 2.280
local terms energy: -265.538919
where:
bonds (distance) C4'-P energy: -72.477
bonds (distance) P-C4' energy: -76.270
flat angles C4'-P-C4' energy: -71.942
flat angles P-C4'-P energy: -44.912
tors. eta vs tors. theta energy: 0.062
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 164
Temperature: 1.350000
Total energy: -376.155714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -376.155714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -376.155714 (E_RNA)
where:
Base-Base interactions energy: -119.360
where: short stacking energy: -97.333
Base-Backbone interact. energy: 1.662
local terms energy: -258.457010
where:
bonds (distance) C4'-P energy: -81.377
bonds (distance) P-C4' energy: -83.978
flat angles C4'-P-C4' energy: -65.188
flat angles P-C4'-P energy: -43.997
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: 1, replica: 1
=====================================
Write number: 165
Temperature: 0.900000
Total energy: -1217.920913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1217.920913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1217.920913 (E_RNA)
where:
Base-Base interactions energy: -727.312
where: short stacking energy: -416.374
Base-Backbone interact. energy: -2.204
local terms energy: -488.405340
where:
bonds (distance) C4'-P energy: -88.917
bonds (distance) P-C4' energy: -96.647
flat angles C4'-P-C4' energy: -103.849
flat angles P-C4'-P energy: -72.859
tors. eta vs tors. theta energy: -126.133
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: 2, replica: 4
=====================================
Write number: 165
Temperature: 0.950000
Total energy: -1100.748369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1100.748369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1100.748369 (E_RNA)
where:
Base-Base interactions energy: -652.661
where: short stacking energy: -394.595
Base-Backbone interact. energy: -0.575
local terms energy: -447.512244
where:
bonds (distance) C4'-P energy: -84.520
bonds (distance) P-C4' energy: -91.019
flat angles C4'-P-C4' energy: -96.265
flat angles P-C4'-P energy: -64.899
tors. eta vs tors. theta energy: -110.808
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 165
Temperature: 1.000000
Total energy: -929.831406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -929.831406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -929.831406 (E_RNA)
where:
Base-Base interactions energy: -512.480
where: short stacking energy: -311.592
Base-Backbone interact. energy: -1.752
local terms energy: -415.599335
where:
bonds (distance) C4'-P energy: -86.908
bonds (distance) P-C4' energy: -87.481
flat angles C4'-P-C4' energy: -96.417
flat angles P-C4'-P energy: -65.474
tors. eta vs tors. theta energy: -79.319
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 165
Temperature: 1.050000
Total energy: -727.203934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -727.203934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -727.203934 (E_RNA)
where:
Base-Base interactions energy: -363.130
where: short stacking energy: -244.137
Base-Backbone interact. energy: -2.037
local terms energy: -362.037043
where:
bonds (distance) C4'-P energy: -93.334
bonds (distance) P-C4' energy: -90.747
flat angles C4'-P-C4' energy: -83.693
flat angles P-C4'-P energy: -44.818
tors. eta vs tors. theta energy: -49.445
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 165
Temperature: 1.100000
Total energy: -654.834435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -654.834435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -654.834435 (E_RNA)
where:
Base-Base interactions energy: -322.329
where: short stacking energy: -202.317
Base-Backbone interact. energy: -2.592
local terms energy: -329.913589
where:
bonds (distance) C4'-P energy: -77.403
bonds (distance) P-C4' energy: -86.759
flat angles C4'-P-C4' energy: -82.293
flat angles P-C4'-P energy: -52.849
tors. eta vs tors. theta energy: -30.610
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 165
Temperature: 1.150000
Total energy: -579.344678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -579.344678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -579.344678 (E_RNA)
where:
Base-Base interactions energy: -246.076
where: short stacking energy: -193.612
Base-Backbone interact. energy: -0.016
local terms energy: -333.252391
where:
bonds (distance) C4'-P energy: -78.165
bonds (distance) P-C4' energy: -92.750
flat angles C4'-P-C4' energy: -82.777
flat angles P-C4'-P energy: -54.933
tors. eta vs tors. theta energy: -24.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 165
Temperature: 1.200000
Total energy: -509.451097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.451097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.451097 (E_RNA)
where:
Base-Base interactions energy: -219.537
where: short stacking energy: -161.311
Base-Backbone interact. energy: 2.317
local terms energy: -292.230499
where:
bonds (distance) C4'-P energy: -75.711
bonds (distance) P-C4' energy: -90.628
flat angles C4'-P-C4' energy: -71.321
flat angles P-C4'-P energy: -44.685
tors. eta vs tors. theta energy: -9.886
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: 5
=====================================
Write number: 165
Temperature: 1.250000
Total energy: -406.443871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.443871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -406.443871 (E_RNA)
where:
Base-Base interactions energy: -143.585
where: short stacking energy: -132.801
Base-Backbone interact. energy: -1.916
local terms energy: -260.943531
where:
bonds (distance) C4'-P energy: -86.100
bonds (distance) P-C4' energy: -80.356
flat angles C4'-P-C4' energy: -64.723
flat angles P-C4'-P energy: -29.403
tors. eta vs tors. theta energy: -0.360
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 165
Temperature: 1.300000
Total energy: -399.020774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -399.020774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -399.020774 (E_RNA)
where:
Base-Base interactions energy: -133.134
where: short stacking energy: -123.159
Base-Backbone interact. energy: -1.576
local terms energy: -264.310252
where:
bonds (distance) C4'-P energy: -85.764
bonds (distance) P-C4' energy: -76.253
flat angles C4'-P-C4' energy: -59.399
flat angles P-C4'-P energy: -40.261
tors. eta vs tors. theta energy: -2.634
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 165
Temperature: 1.350000
Total energy: -354.617378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.617378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.617378 (E_RNA)
where:
Base-Base interactions energy: -109.435
where: short stacking energy: -89.392
Base-Backbone interact. energy: 0.635
local terms energy: -245.817415
where:
bonds (distance) C4'-P energy: -70.917
bonds (distance) P-C4' energy: -78.089
flat angles C4'-P-C4' energy: -78.626
flat angles P-C4'-P energy: -38.734
tors. eta vs tors. theta energy: 20.548
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: 1
=====================================
Write number: 166
Temperature: 0.900000
Total energy: -1245.286689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1245.286689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1245.286689 (E_RNA)
where:
Base-Base interactions energy: -761.121
where: short stacking energy: -424.707
Base-Backbone interact. energy: -2.314
local terms energy: -481.852044
where:
bonds (distance) C4'-P energy: -97.146
bonds (distance) P-C4' energy: -96.053
flat angles C4'-P-C4' energy: -96.684
flat angles P-C4'-P energy: -66.654
tors. eta vs tors. theta energy: -125.314
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 166
Temperature: 0.950000
Total energy: -1122.366061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1122.366061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1122.366061 (E_RNA)
where:
Base-Base interactions energy: -654.282
where: short stacking energy: -387.578
Base-Backbone interact. energy: 0.746
local terms energy: -468.830735
where:
bonds (distance) C4'-P energy: -88.496
bonds (distance) P-C4' energy: -97.153
flat angles C4'-P-C4' energy: -103.627
flat angles P-C4'-P energy: -58.211
tors. eta vs tors. theta energy: -121.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 166
Temperature: 1.000000
Total energy: -1013.797847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1013.797847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1013.797847 (E_RNA)
where:
Base-Base interactions energy: -571.885
where: short stacking energy: -355.297
Base-Backbone interact. energy: -0.345
local terms energy: -441.567683
where:
bonds (distance) C4'-P energy: -88.945
bonds (distance) P-C4' energy: -84.547
flat angles C4'-P-C4' energy: -107.697
flat angles P-C4'-P energy: -68.701
tors. eta vs tors. theta energy: -91.678
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 166
Temperature: 1.050000
Total energy: -744.186557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -744.186557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -744.186557 (E_RNA)
where:
Base-Base interactions energy: -405.049
where: short stacking energy: -281.681
Base-Backbone interact. energy: 0.668
local terms energy: -339.805092
where:
bonds (distance) C4'-P energy: -71.872
bonds (distance) P-C4' energy: -84.226
flat angles C4'-P-C4' energy: -79.807
flat angles P-C4'-P energy: -56.307
tors. eta vs tors. theta energy: -47.594
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: 7
=====================================
Write number: 166
Temperature: 1.100000
Total energy: -711.872560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -711.872560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -711.872560 (E_RNA)
where:
Base-Base interactions energy: -350.537
where: short stacking energy: -240.895
Base-Backbone interact. energy: -2.620
local terms energy: -358.715376
where:
bonds (distance) C4'-P energy: -74.193
bonds (distance) P-C4' energy: -86.514
flat angles C4'-P-C4' energy: -86.901
flat angles P-C4'-P energy: -59.538
tors. eta vs tors. theta energy: -51.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 166
Temperature: 1.150000
Total energy: -584.086133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -584.086133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -584.086133 (E_RNA)
where:
Base-Base interactions energy: -257.275
where: short stacking energy: -182.852
Base-Backbone interact. energy: 0.739
local terms energy: -327.549967
where:
bonds (distance) C4'-P energy: -86.197
bonds (distance) P-C4' energy: -87.803
flat angles C4'-P-C4' energy: -78.024
flat angles P-C4'-P energy: -45.104
tors. eta vs tors. theta energy: -30.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 166
Temperature: 1.200000
Total energy: -492.959134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.959134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.959134 (E_RNA)
where:
Base-Base interactions energy: -196.816
where: short stacking energy: -144.149
Base-Backbone interact. energy: -0.766
local terms energy: -295.377299
where:
bonds (distance) C4'-P energy: -78.846
bonds (distance) P-C4' energy: -77.399
flat angles C4'-P-C4' energy: -93.349
flat angles P-C4'-P energy: -47.570
tors. eta vs tors. theta energy: 1.786
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 166
Temperature: 1.250000
Total energy: -399.457433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -399.457433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -399.457433 (E_RNA)
where:
Base-Base interactions energy: -119.496
where: short stacking energy: -114.878
Base-Backbone interact. energy: 1.691
local terms energy: -281.651779
where:
bonds (distance) C4'-P energy: -83.025
bonds (distance) P-C4' energy: -88.910
flat angles C4'-P-C4' energy: -71.064
flat angles P-C4'-P energy: -49.619
tors. eta vs tors. theta energy: 10.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 166
Temperature: 1.300000
Total energy: -407.397181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.397181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -407.397181 (E_RNA)
where:
Base-Base interactions energy: -124.991
where: short stacking energy: -108.109
Base-Backbone interact. energy: 0.171
local terms energy: -282.577179
where:
bonds (distance) C4'-P energy: -86.340
bonds (distance) P-C4' energy: -92.608
flat angles C4'-P-C4' energy: -65.461
flat angles P-C4'-P energy: -43.257
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: 10, replica: 8
=====================================
Write number: 166
Temperature: 1.350000
Total energy: -353.066051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.066051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.066051 (E_RNA)
where:
Base-Base interactions energy: -128.409
where: short stacking energy: -102.252
Base-Backbone interact. energy: -2.583
local terms energy: -222.074578
where:
bonds (distance) C4'-P energy: -80.081
bonds (distance) P-C4' energy: -81.011
flat angles C4'-P-C4' energy: -40.125
flat angles P-C4'-P energy: -44.030
tors. eta vs tors. theta energy: 23.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 167
Temperature: 0.900000
Total energy: -1212.729446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1212.729446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1212.729446 (E_RNA)
where:
Base-Base interactions energy: -736.356
where: short stacking energy: -395.793
Base-Backbone interact. energy: -1.278
local terms energy: -475.095731
where:
bonds (distance) C4'-P energy: -83.438
bonds (distance) P-C4' energy: -89.209
flat angles C4'-P-C4' energy: -102.325
flat angles P-C4'-P energy: -70.782
tors. eta vs tors. theta energy: -129.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 167
Temperature: 0.950000
Total energy: -1112.912783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1112.912783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1112.912783 (E_RNA)
where:
Base-Base interactions energy: -638.101
where: short stacking energy: -383.738
Base-Backbone interact. energy: -1.114
local terms energy: -473.697775
where:
bonds (distance) C4'-P energy: -89.288
bonds (distance) P-C4' energy: -92.279
flat angles C4'-P-C4' energy: -106.739
flat angles P-C4'-P energy: -62.099
tors. eta vs tors. theta energy: -123.294
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 167
Temperature: 1.000000
Total energy: -981.381291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -981.381291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -981.381291 (E_RNA)
where:
Base-Base interactions energy: -574.664
where: short stacking energy: -348.258
Base-Backbone interact. energy: -3.741
local terms energy: -402.976820
where:
bonds (distance) C4'-P energy: -96.167
bonds (distance) P-C4' energy: -81.986
flat angles C4'-P-C4' energy: -81.419
flat angles P-C4'-P energy: -57.469
tors. eta vs tors. theta energy: -85.936
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 167
Temperature: 1.050000
Total energy: -768.929489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -768.929489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -768.929489 (E_RNA)
where:
Base-Base interactions energy: -379.422
where: short stacking energy: -254.334
Base-Backbone interact. energy: -1.948
local terms energy: -387.559462
where:
bonds (distance) C4'-P energy: -85.055
bonds (distance) P-C4' energy: -98.929
flat angles C4'-P-C4' energy: -91.145
flat angles P-C4'-P energy: -54.515
tors. eta vs tors. theta energy: -57.915
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 167
Temperature: 1.100000
Total energy: -711.811414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -711.811414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -711.811414 (E_RNA)
where:
Base-Base interactions energy: -371.460
where: short stacking energy: -228.975
Base-Backbone interact. energy: -1.452
local terms energy: -338.899673
where:
bonds (distance) C4'-P energy: -82.707
bonds (distance) P-C4' energy: -84.647
flat angles C4'-P-C4' energy: -74.107
flat angles P-C4'-P energy: -53.247
tors. eta vs tors. theta energy: -44.192
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: 9
=====================================
Write number: 167
Temperature: 1.150000
Total energy: -543.874662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.874662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.874662 (E_RNA)
where:
Base-Base interactions energy: -219.938
where: short stacking energy: -171.633
Base-Backbone interact. energy: -0.580
local terms energy: -323.357044
where:
bonds (distance) C4'-P energy: -82.441
bonds (distance) P-C4' energy: -98.091
flat angles C4'-P-C4' energy: -69.806
flat angles P-C4'-P energy: -43.048
tors. eta vs tors. theta energy: -29.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 167
Temperature: 1.200000
Total energy: -514.691148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.691148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.691148 (E_RNA)
where:
Base-Base interactions energy: -212.125
where: short stacking energy: -156.123
Base-Backbone interact. energy: -0.881
local terms energy: -301.685472
where:
bonds (distance) C4'-P energy: -88.125
bonds (distance) P-C4' energy: -81.762
flat angles C4'-P-C4' energy: -71.130
flat angles P-C4'-P energy: -50.808
tors. eta vs tors. theta energy: -9.861
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: 8, replica: 5
=====================================
Write number: 167
Temperature: 1.250000
Total energy: -395.211485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -395.211485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -395.211485 (E_RNA)
where:
Base-Base interactions energy: -126.690
where: short stacking energy: -107.034
Base-Backbone interact. energy: 1.379
local terms energy: -269.901146
where:
bonds (distance) C4'-P energy: -79.773
bonds (distance) P-C4' energy: -89.030
flat angles C4'-P-C4' energy: -67.576
flat angles P-C4'-P energy: -34.802
tors. eta vs tors. theta energy: 1.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 167
Temperature: 1.300000
Total energy: -395.445892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -395.445892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -395.445892 (E_RNA)
where:
Base-Base interactions energy: -114.561
where: short stacking energy: -93.832
Base-Backbone interact. energy: 2.041
local terms energy: -282.925998
where:
bonds (distance) C4'-P energy: -83.309
bonds (distance) P-C4' energy: -83.874
flat angles C4'-P-C4' energy: -87.123
flat angles P-C4'-P energy: -46.199
tors. eta vs tors. theta energy: 17.580
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 167
Temperature: 1.350000
Total energy: -382.280050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -382.280050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -382.280050 (E_RNA)
where:
Base-Base interactions energy: -120.912
where: short stacking energy: -108.938
Base-Backbone interact. energy: 4.149
local terms energy: -265.517519
where:
bonds (distance) C4'-P energy: -86.270
bonds (distance) P-C4' energy: -85.422
flat angles C4'-P-C4' energy: -76.204
flat angles P-C4'-P energy: -34.770
tors. eta vs tors. theta energy: 17.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 168
Temperature: 0.900000
Total energy: -1218.230289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1218.230289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1218.230289 (E_RNA)
where:
Base-Base interactions energy: -746.160
where: short stacking energy: -425.461
Base-Backbone interact. energy: -0.994
local terms energy: -471.075516
where:
bonds (distance) C4'-P energy: -85.388
bonds (distance) P-C4' energy: -91.387
flat angles C4'-P-C4' energy: -110.364
flat angles P-C4'-P energy: -58.120
tors. eta vs tors. theta energy: -125.816
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 168
Temperature: 0.950000
Total energy: -1152.244080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1152.244080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1152.244080 (E_RNA)
where:
Base-Base interactions energy: -671.001
where: short stacking energy: -393.497
Base-Backbone interact. energy: 1.586
local terms energy: -482.829080
where:
bonds (distance) C4'-P energy: -93.198
bonds (distance) P-C4' energy: -84.091
flat angles C4'-P-C4' energy: -106.322
flat angles P-C4'-P energy: -70.707
tors. eta vs tors. theta energy: -128.512
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 168
Temperature: 1.000000
Total energy: -949.392673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -949.392673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -949.392673 (E_RNA)
where:
Base-Base interactions energy: -525.447
where: short stacking energy: -310.419
Base-Backbone interact. energy: -2.365
local terms energy: -421.581333
where:
bonds (distance) C4'-P energy: -91.834
bonds (distance) P-C4' energy: -90.263
flat angles C4'-P-C4' energy: -91.701
flat angles P-C4'-P energy: -65.672
tors. eta vs tors. theta energy: -82.112
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: 6
=====================================
Write number: 168
Temperature: 1.050000
Total energy: -765.090653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -765.090653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -765.090653 (E_RNA)
where:
Base-Base interactions energy: -400.279
where: short stacking energy: -239.938
Base-Backbone interact. energy: -0.381
local terms energy: -364.430362
where:
bonds (distance) C4'-P energy: -77.274
bonds (distance) P-C4' energy: -87.902
flat angles C4'-P-C4' energy: -92.037
flat angles P-C4'-P energy: -52.009
tors. eta vs tors. theta energy: -55.209
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 168
Temperature: 1.100000
Total energy: -718.168312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -718.168312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -718.168312 (E_RNA)
where:
Base-Base interactions energy: -374.348
where: short stacking energy: -232.754
Base-Backbone interact. energy: 0.553
local terms energy: -344.373129
where:
bonds (distance) C4'-P energy: -72.983
bonds (distance) P-C4' energy: -81.263
flat angles C4'-P-C4' energy: -95.079
flat angles P-C4'-P energy: -61.080
tors. eta vs tors. theta energy: -33.968
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: 6, replica: 9
=====================================
Write number: 168
Temperature: 1.150000
Total energy: -564.784152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -564.784152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -564.784152 (E_RNA)
where:
Base-Base interactions energy: -265.803
where: short stacking energy: -196.375
Base-Backbone interact. energy: -0.608
local terms energy: -298.373752
where:
bonds (distance) C4'-P energy: -73.710
bonds (distance) P-C4' energy: -81.633
flat angles C4'-P-C4' energy: -86.850
flat angles P-C4'-P energy: -35.492
tors. eta vs tors. theta energy: -20.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 168
Temperature: 1.200000
Total energy: -492.311676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.311676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.311676 (E_RNA)
where:
Base-Base interactions energy: -192.196
where: short stacking energy: -140.201
Base-Backbone interact. energy: -3.498
local terms energy: -296.617360
where:
bonds (distance) C4'-P energy: -92.888
bonds (distance) P-C4' energy: -82.941
flat angles C4'-P-C4' energy: -70.214
flat angles P-C4'-P energy: -45.513
tors. eta vs tors. theta energy: -5.061
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: 8, replica: 5
=====================================
Write number: 168
Temperature: 1.250000
Total energy: -400.306534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -400.306534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -400.306534 (E_RNA)
where:
Base-Base interactions energy: -136.971
where: short stacking energy: -109.387
Base-Backbone interact. energy: -1.292
local terms energy: -262.043528
where:
bonds (distance) C4'-P energy: -72.399
bonds (distance) P-C4' energy: -94.646
flat angles C4'-P-C4' energy: -64.262
flat angles P-C4'-P energy: -42.345
tors. eta vs tors. theta energy: 11.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 168
Temperature: 1.300000
Total energy: -393.930617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.930617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -393.930617 (E_RNA)
where:
Base-Base interactions energy: -130.716
where: short stacking energy: -117.510
Base-Backbone interact. energy: 1.791
local terms energy: -265.005493
where:
bonds (distance) C4'-P energy: -80.970
bonds (distance) P-C4' energy: -87.078
flat angles C4'-P-C4' energy: -64.096
flat angles P-C4'-P energy: -35.330
tors. eta vs tors. theta energy: 2.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 168
Temperature: 1.350000
Total energy: -338.409357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.409357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.409357 (E_RNA)
where:
Base-Base interactions energy: -123.548
where: short stacking energy: -111.468
Base-Backbone interact. energy: -0.806
local terms energy: -214.055382
where:
bonds (distance) C4'-P energy: -79.032
bonds (distance) P-C4' energy: -74.305
flat angles C4'-P-C4' energy: -37.555
flat angles P-C4'-P energy: -40.651
tors. eta vs tors. theta energy: 17.487
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 169
Temperature: 0.900000
Total energy: -1229.677508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1229.677508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1229.677508 (E_RNA)
where:
Base-Base interactions energy: -752.626
where: short stacking energy: -410.189
Base-Backbone interact. energy: -2.814
local terms energy: -474.238170
where:
bonds (distance) C4'-P energy: -77.705
bonds (distance) P-C4' energy: -102.906
flat angles C4'-P-C4' energy: -99.899
flat angles P-C4'-P energy: -72.806
tors. eta vs tors. theta energy: -120.921
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: 169
Temperature: 0.950000
Total energy: -1138.694022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1138.694022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1138.694022 (E_RNA)
where:
Base-Base interactions energy: -669.456
where: short stacking energy: -388.848
Base-Backbone interact. energy: 2.530
local terms energy: -471.768075
where:
bonds (distance) C4'-P energy: -102.088
bonds (distance) P-C4' energy: -78.817
flat angles C4'-P-C4' energy: -99.071
flat angles P-C4'-P energy: -67.228
tors. eta vs tors. theta energy: -124.563
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: 2
=====================================
Write number: 169
Temperature: 1.000000
Total energy: -970.142063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -970.142063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -970.142063 (E_RNA)
where:
Base-Base interactions energy: -549.795
where: short stacking energy: -313.322
Base-Backbone interact. energy: -0.511
local terms energy: -419.835446
where:
bonds (distance) C4'-P energy: -88.992
bonds (distance) P-C4' energy: -97.120
flat angles C4'-P-C4' energy: -82.483
flat angles P-C4'-P energy: -65.764
tors. eta vs tors. theta energy: -85.476
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: 7
=====================================
Write number: 169
Temperature: 1.050000
Total energy: -779.248190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -779.248190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -779.248190 (E_RNA)
where:
Base-Base interactions energy: -405.578
where: short stacking energy: -258.488
Base-Backbone interact. energy: 0.831
local terms energy: -374.500828
where:
bonds (distance) C4'-P energy: -83.581
bonds (distance) P-C4' energy: -95.352
flat angles C4'-P-C4' energy: -77.996
flat angles P-C4'-P energy: -60.359
tors. eta vs tors. theta energy: -57.212
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 169
Temperature: 1.100000
Total energy: -721.043552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -721.043552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -721.043552 (E_RNA)
where:
Base-Base interactions energy: -369.373
where: short stacking energy: -235.297
Base-Backbone interact. energy: -0.095
local terms energy: -351.575725
where:
bonds (distance) C4'-P energy: -86.055
bonds (distance) P-C4' energy: -90.347
flat angles C4'-P-C4' energy: -70.690
flat angles P-C4'-P energy: -49.466
tors. eta vs tors. theta energy: -55.018
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 169
Temperature: 1.150000
Total energy: -583.269617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -583.269617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -583.269617 (E_RNA)
where:
Base-Base interactions energy: -269.516
where: short stacking energy: -201.859
Base-Backbone interact. energy: 5.044
local terms energy: -318.797440
where:
bonds (distance) C4'-P energy: -77.384
bonds (distance) P-C4' energy: -86.065
flat angles C4'-P-C4' energy: -75.427
flat angles P-C4'-P energy: -37.590
tors. eta vs tors. theta energy: -42.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 169
Temperature: 1.200000
Total energy: -472.302259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -472.302259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.302259 (E_RNA)
where:
Base-Base interactions energy: -190.539
where: short stacking energy: -144.755
Base-Backbone interact. energy: -2.757
local terms energy: -279.006871
where:
bonds (distance) C4'-P energy: -68.956
bonds (distance) P-C4' energy: -81.364
flat angles C4'-P-C4' energy: -80.652
flat angles P-C4'-P energy: -41.374
tors. eta vs tors. theta energy: -6.661
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 169
Temperature: 1.250000
Total energy: -412.212817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.212817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.212817 (E_RNA)
where:
Base-Base interactions energy: -154.125
where: short stacking energy: -119.868
Base-Backbone interact. energy: -1.106
local terms energy: -256.981976
where:
bonds (distance) C4'-P energy: -75.638
bonds (distance) P-C4' energy: -81.699
flat angles C4'-P-C4' energy: -62.897
flat angles P-C4'-P energy: -42.233
tors. eta vs tors. theta energy: 5.485
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 169
Temperature: 1.300000
Total energy: -364.016831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.016831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.016831 (E_RNA)
where:
Base-Base interactions energy: -112.998
where: short stacking energy: -107.592
Base-Backbone interact. energy: -0.619
local terms energy: -250.399994
where:
bonds (distance) C4'-P energy: -76.631
bonds (distance) P-C4' energy: -79.677
flat angles C4'-P-C4' energy: -63.132
flat angles P-C4'-P energy: -43.955
tors. eta vs tors. theta energy: 12.996
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: 169
Temperature: 1.350000
Total energy: -342.871959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.871959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.871959 (E_RNA)
where:
Base-Base interactions energy: -96.529
where: short stacking energy: -89.476
Base-Backbone interact. energy: 1.032
local terms energy: -247.374492
where:
bonds (distance) C4'-P energy: -81.312
bonds (distance) P-C4' energy: -88.786
flat angles C4'-P-C4' energy: -62.628
flat angles P-C4'-P energy: -26.258
tors. eta vs tors. theta energy: 11.610
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 170
Temperature: 0.900000
Total energy: -1247.835193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1247.835193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1247.835193 (E_RNA)
where:
Base-Base interactions energy: -766.397
where: short stacking energy: -407.884
Base-Backbone interact. energy: -2.228
local terms energy: -479.210286
where:
bonds (distance) C4'-P energy: -90.436
bonds (distance) P-C4' energy: -97.457
flat angles C4'-P-C4' energy: -107.092
flat angles P-C4'-P energy: -63.361
tors. eta vs tors. theta energy: -120.865
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: 170
Temperature: 0.950000
Total energy: -1202.638518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1202.638518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1202.638518 (E_RNA)
where:
Base-Base interactions energy: -706.942
where: short stacking energy: -406.867
Base-Backbone interact. energy: -0.937
local terms energy: -494.758787
where:
bonds (distance) C4'-P energy: -91.960
bonds (distance) P-C4' energy: -95.261
flat angles C4'-P-C4' energy: -103.747
flat angles P-C4'-P energy: -66.337
tors. eta vs tors. theta energy: -137.455
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: 2
=====================================
Write number: 170
Temperature: 1.000000
Total energy: -976.199841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -976.199841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -976.199841 (E_RNA)
where:
Base-Base interactions energy: -578.338
where: short stacking energy: -326.922
Base-Backbone interact. energy: -0.744
local terms energy: -397.118117
where:
bonds (distance) C4'-P energy: -71.129
bonds (distance) P-C4' energy: -92.149
flat angles C4'-P-C4' energy: -93.583
flat angles P-C4'-P energy: -50.220
tors. eta vs tors. theta energy: -90.036
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 170
Temperature: 1.050000
Total energy: -780.955164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -780.955164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -780.955164 (E_RNA)
where:
Base-Base interactions energy: -428.235
where: short stacking energy: -253.290
Base-Backbone interact. energy: 0.453
local terms energy: -353.172909
where:
bonds (distance) C4'-P energy: -83.890
bonds (distance) P-C4' energy: -89.015
flat angles C4'-P-C4' energy: -90.680
flat angles P-C4'-P energy: -49.340
tors. eta vs tors. theta energy: -40.248
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: 170
Temperature: 1.100000
Total energy: -734.039971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -734.039971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -734.039971 (E_RNA)
where:
Base-Base interactions energy: -380.083
where: short stacking energy: -243.627
Base-Backbone interact. energy: -0.763
local terms energy: -353.194802
where:
bonds (distance) C4'-P energy: -83.137
bonds (distance) P-C4' energy: -100.307
flat angles C4'-P-C4' energy: -81.366
flat angles P-C4'-P energy: -49.700
tors. eta vs tors. theta energy: -38.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 170
Temperature: 1.150000
Total energy: -520.553774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.553774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.553774 (E_RNA)
where:
Base-Base interactions energy: -206.050
where: short stacking energy: -154.032
Base-Backbone interact. energy: 0.338
local terms energy: -314.841849
where:
bonds (distance) C4'-P energy: -73.645
bonds (distance) P-C4' energy: -93.179
flat angles C4'-P-C4' energy: -84.861
flat angles P-C4'-P energy: -46.179
tors. eta vs tors. theta energy: -16.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 170
Temperature: 1.200000
Total energy: -472.462338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -472.462338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.462338 (E_RNA)
where:
Base-Base interactions energy: -170.657
where: short stacking energy: -152.128
Base-Backbone interact. energy: -0.291
local terms energy: -301.514250
where:
bonds (distance) C4'-P energy: -82.518
bonds (distance) P-C4' energy: -80.660
flat angles C4'-P-C4' energy: -78.800
flat angles P-C4'-P energy: -44.777
tors. eta vs tors. theta energy: -14.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 170
Temperature: 1.250000
Total energy: -408.447295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -408.447295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -408.447295 (E_RNA)
where:
Base-Base interactions energy: -133.251
where: short stacking energy: -119.574
Base-Backbone interact. energy: -0.446
local terms energy: -274.751093
where:
bonds (distance) C4'-P energy: -64.430
bonds (distance) P-C4' energy: -77.519
flat angles C4'-P-C4' energy: -85.244
flat angles P-C4'-P energy: -40.837
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: 9, replica: 8
=====================================
Write number: 170
Temperature: 1.300000
Total energy: -383.454886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -383.454886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -383.454886 (E_RNA)
where:
Base-Base interactions energy: -148.465
where: short stacking energy: -124.205
Base-Backbone interact. energy: 3.012
local terms energy: -238.001760
where:
bonds (distance) C4'-P energy: -76.197
bonds (distance) P-C4' energy: -78.477
flat angles C4'-P-C4' energy: -54.579
flat angles P-C4'-P energy: -26.272
tors. eta vs tors. theta energy: -2.477
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 170
Temperature: 1.350000
Total energy: -352.633073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.633073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.633073 (E_RNA)
where:
Base-Base interactions energy: -100.658
where: short stacking energy: -92.429
Base-Backbone interact. energy: -1.782
local terms energy: -250.192803
where:
bonds (distance) C4'-P energy: -86.698
bonds (distance) P-C4' energy: -76.151
flat angles C4'-P-C4' energy: -64.213
flat angles P-C4'-P energy: -33.954
tors. eta vs tors. theta energy: 10.823
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 171
Temperature: 0.900000
Total energy: -1211.278301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1211.278301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1211.278301 (E_RNA)
where:
Base-Base interactions energy: -743.609
where: short stacking energy: -416.344
Base-Backbone interact. energy: -0.734
local terms energy: -466.935246
where:
bonds (distance) C4'-P energy: -85.167
bonds (distance) P-C4' energy: -90.890
flat angles C4'-P-C4' energy: -109.213
flat angles P-C4'-P energy: -59.229
tors. eta vs tors. theta energy: -122.437
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 171
Temperature: 0.950000
Total energy: -1131.318432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1131.318432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1131.318432 (E_RNA)
where:
Base-Base interactions energy: -678.301
where: short stacking energy: -401.174
Base-Backbone interact. energy: -0.045
local terms energy: -452.973306
where:
bonds (distance) C4'-P energy: -86.711
bonds (distance) P-C4' energy: -76.122
flat angles C4'-P-C4' energy: -101.519
flat angles P-C4'-P energy: -66.989
tors. eta vs tors. theta energy: -121.631
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 171
Temperature: 1.000000
Total energy: -983.382864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -983.382864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -983.382864 (E_RNA)
where:
Base-Base interactions energy: -555.248
where: short stacking energy: -327.012
Base-Backbone interact. energy: 0.368
local terms energy: -428.503390
where:
bonds (distance) C4'-P energy: -97.127
bonds (distance) P-C4' energy: -76.217
flat angles C4'-P-C4' energy: -99.444
flat angles P-C4'-P energy: -67.071
tors. eta vs tors. theta energy: -88.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 171
Temperature: 1.050000
Total energy: -819.198348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -819.198348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -819.198348 (E_RNA)
where:
Base-Base interactions energy: -422.897
where: short stacking energy: -264.909
Base-Backbone interact. energy: -0.881
local terms energy: -395.420513
where:
bonds (distance) C4'-P energy: -86.945
bonds (distance) P-C4' energy: -92.618
flat angles C4'-P-C4' energy: -92.901
flat angles P-C4'-P energy: -58.122
tors. eta vs tors. theta energy: -64.834
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: 7
=====================================
Write number: 171
Temperature: 1.100000
Total energy: -762.609206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -762.609206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -762.609206 (E_RNA)
where:
Base-Base interactions energy: -398.907
where: short stacking energy: -258.886
Base-Backbone interact. energy: -1.012
local terms energy: -362.690733
where:
bonds (distance) C4'-P energy: -80.020
bonds (distance) P-C4' energy: -88.164
flat angles C4'-P-C4' energy: -81.353
flat angles P-C4'-P energy: -53.629
tors. eta vs tors. theta energy: -59.524
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: 9
=====================================
Write number: 171
Temperature: 1.150000
Total energy: -529.082509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.082509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.082509 (E_RNA)
where:
Base-Base interactions energy: -218.659
where: short stacking energy: -181.557
Base-Backbone interact. energy: -0.240
local terms energy: -310.183451
where:
bonds (distance) C4'-P energy: -83.452
bonds (distance) P-C4' energy: -83.588
flat angles C4'-P-C4' energy: -77.915
flat angles P-C4'-P energy: -52.169
tors. eta vs tors. theta energy: -13.059
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 171
Temperature: 1.200000
Total energy: -472.428201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -472.428201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.428201 (E_RNA)
where:
Base-Base interactions energy: -175.333
where: short stacking energy: -159.711
Base-Backbone interact. energy: -1.397
local terms energy: -295.698758
where:
bonds (distance) C4'-P energy: -80.954
bonds (distance) P-C4' energy: -93.784
flat angles C4'-P-C4' energy: -61.426
flat angles P-C4'-P energy: -44.181
tors. eta vs tors. theta energy: -15.354
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: 8
=====================================
Write number: 171
Temperature: 1.250000
Total energy: -431.452771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -431.452771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -431.452771 (E_RNA)
where:
Base-Base interactions energy: -167.968
where: short stacking energy: -117.234
Base-Backbone interact. energy: 2.566
local terms energy: -266.050970
where:
bonds (distance) C4'-P energy: -70.225
bonds (distance) P-C4' energy: -82.949
flat angles C4'-P-C4' energy: -83.867
flat angles P-C4'-P energy: -38.579
tors. eta vs tors. theta energy: 9.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 171
Temperature: 1.300000
Total energy: -378.424695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -378.424695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -378.424695 (E_RNA)
where:
Base-Base interactions energy: -142.626
where: short stacking energy: -122.685
Base-Backbone interact. energy: 0.142
local terms energy: -235.940574
where:
bonds (distance) C4'-P energy: -79.982
bonds (distance) P-C4' energy: -77.459
flat angles C4'-P-C4' energy: -53.568
flat angles P-C4'-P energy: -40.904
tors. eta vs tors. theta energy: 15.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 171
Temperature: 1.350000
Total energy: -354.118589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.118589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.118589 (E_RNA)
where:
Base-Base interactions energy: -128.649
where: short stacking energy: -112.417
Base-Backbone interact. energy: 4.862
local terms energy: -230.332310
where:
bonds (distance) C4'-P energy: -57.147
bonds (distance) P-C4' energy: -77.398
flat angles C4'-P-C4' energy: -59.738
flat angles P-C4'-P energy: -40.674
tors. eta vs tors. theta energy: 4.625
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: 1, replica: 1
=====================================
Write number: 172
Temperature: 0.900000
Total energy: -1210.910477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1210.910477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1210.910477 (E_RNA)
where:
Base-Base interactions energy: -743.190
where: short stacking energy: -419.530
Base-Backbone interact. energy: 1.969
local terms energy: -469.690061
where:
bonds (distance) C4'-P energy: -90.648
bonds (distance) P-C4' energy: -98.838
flat angles C4'-P-C4' energy: -100.153
flat angles P-C4'-P energy: -57.411
tors. eta vs tors. theta energy: -122.641
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 172
Temperature: 0.950000
Total energy: -1125.673238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1125.673238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1125.673238 (E_RNA)
where:
Base-Base interactions energy: -658.769
where: short stacking energy: -389.838
Base-Backbone interact. energy: 1.743
local terms energy: -468.646846
where:
bonds (distance) C4'-P energy: -90.670
bonds (distance) P-C4' energy: -97.203
flat angles C4'-P-C4' energy: -96.692
flat angles P-C4'-P energy: -61.582
tors. eta vs tors. theta energy: -122.499
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 172
Temperature: 1.000000
Total energy: -998.299737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -998.299737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -998.299737 (E_RNA)
where:
Base-Base interactions energy: -580.357
where: short stacking energy: -335.532
Base-Backbone interact. energy: 0.588
local terms energy: -418.531058
where:
bonds (distance) C4'-P energy: -67.348
bonds (distance) P-C4' energy: -99.135
flat angles C4'-P-C4' energy: -95.755
flat angles P-C4'-P energy: -55.709
tors. eta vs tors. theta energy: -100.584
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 172
Temperature: 1.050000
Total energy: -874.026953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -874.026953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -874.026953 (E_RNA)
where:
Base-Base interactions energy: -448.202
where: short stacking energy: -288.038
Base-Backbone interact. energy: 0.769
local terms energy: -426.593966
where:
bonds (distance) C4'-P energy: -108.697
bonds (distance) P-C4' energy: -87.783
flat angles C4'-P-C4' energy: -96.136
flat angles P-C4'-P energy: -58.618
tors. eta vs tors. theta energy: -75.360
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 172
Temperature: 1.100000
Total energy: -702.594330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -702.594330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -702.594330 (E_RNA)
where:
Base-Base interactions energy: -360.935
where: short stacking energy: -219.925
Base-Backbone interact. energy: -1.095
local terms energy: -340.564462
where:
bonds (distance) C4'-P energy: -78.634
bonds (distance) P-C4' energy: -82.149
flat angles C4'-P-C4' energy: -87.954
flat angles P-C4'-P energy: -50.350
tors. eta vs tors. theta energy: -41.478
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 172
Temperature: 1.150000
Total energy: -504.082588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.082588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.082588 (E_RNA)
where:
Base-Base interactions energy: -190.829
where: short stacking energy: -169.050
Base-Backbone interact. energy: 1.802
local terms energy: -315.055728
where:
bonds (distance) C4'-P energy: -85.062
bonds (distance) P-C4' energy: -84.282
flat angles C4'-P-C4' energy: -67.470
flat angles P-C4'-P energy: -49.911
tors. eta vs tors. theta energy: -28.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 172
Temperature: 1.200000
Total energy: -448.372925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -448.372925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -448.372925 (E_RNA)
where:
Base-Base interactions energy: -158.607
where: short stacking energy: -128.202
Base-Backbone interact. energy: -0.656
local terms energy: -289.109941
where:
bonds (distance) C4'-P energy: -72.283
bonds (distance) P-C4' energy: -73.769
flat angles C4'-P-C4' energy: -95.348
flat angles P-C4'-P energy: -48.778
tors. eta vs tors. theta energy: 1.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 172
Temperature: 1.250000
Total energy: -406.882293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.882293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -406.882293 (E_RNA)
where:
Base-Base interactions energy: -137.933
where: short stacking energy: -112.185
Base-Backbone interact. energy: -1.323
local terms energy: -267.626366
where:
bonds (distance) C4'-P energy: -71.859
bonds (distance) P-C4' energy: -83.998
flat angles C4'-P-C4' energy: -55.689
flat angles P-C4'-P energy: -44.268
tors. eta vs tors. theta energy: -11.813
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: 5
=====================================
Write number: 172
Temperature: 1.300000
Total energy: -402.903976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -402.903976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -402.903976 (E_RNA)
where:
Base-Base interactions energy: -121.447
where: short stacking energy: -98.497
Base-Backbone interact. energy: 3.662
local terms energy: -285.118933
where:
bonds (distance) C4'-P energy: -83.506
bonds (distance) P-C4' energy: -85.809
flat angles C4'-P-C4' energy: -67.179
flat angles P-C4'-P energy: -53.654
tors. eta vs tors. theta energy: 5.030
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: 10
=====================================
Write number: 172
Temperature: 1.350000
Total energy: -356.123091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.123091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.123091 (E_RNA)
where:
Base-Base interactions energy: -136.756
where: short stacking energy: -134.019
Base-Backbone interact. energy: -0.781
local terms energy: -218.586499
where:
bonds (distance) C4'-P energy: -65.186
bonds (distance) P-C4' energy: -66.703
flat angles C4'-P-C4' energy: -59.674
flat angles P-C4'-P energy: -36.385
tors. eta vs tors. theta energy: 9.361
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 173
Temperature: 0.900000
Total energy: -1200.230914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1200.230914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1200.230914 (E_RNA)
where:
Base-Base interactions energy: -719.348
where: short stacking energy: -403.767
Base-Backbone interact. energy: -2.456
local terms energy: -478.427540
where:
bonds (distance) C4'-P energy: -84.433
bonds (distance) P-C4' energy: -97.954
flat angles C4'-P-C4' energy: -104.322
flat angles P-C4'-P energy: -74.052
tors. eta vs tors. theta energy: -117.666
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: 4
=====================================
Write number: 173
Temperature: 0.950000
Total energy: -1152.777160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1152.777160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1152.777160 (E_RNA)
where:
Base-Base interactions energy: -685.432
where: short stacking energy: -420.482
Base-Backbone interact. energy: -0.575
local terms energy: -466.770404
where:
bonds (distance) C4'-P energy: -98.077
bonds (distance) P-C4' energy: -81.220
flat angles C4'-P-C4' energy: -98.304
flat angles P-C4'-P energy: -67.146
tors. eta vs tors. theta energy: -122.023
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 173
Temperature: 1.000000
Total energy: -935.743535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -935.743535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -935.743535 (E_RNA)
where:
Base-Base interactions energy: -521.404
where: short stacking energy: -298.542
Base-Backbone interact. energy: -2.604
local terms energy: -411.735241
where:
bonds (distance) C4'-P energy: -91.456
bonds (distance) P-C4' energy: -98.304
flat angles C4'-P-C4' energy: -91.943
flat angles P-C4'-P energy: -58.433
tors. eta vs tors. theta energy: -71.598
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 173
Temperature: 1.050000
Total energy: -849.046273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -849.046273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -849.046273 (E_RNA)
where:
Base-Base interactions energy: -447.461
where: short stacking energy: -278.393
Base-Backbone interact. energy: -2.734
local terms energy: -398.851001
where:
bonds (distance) C4'-P energy: -84.324
bonds (distance) P-C4' energy: -78.328
flat angles C4'-P-C4' energy: -92.140
flat angles P-C4'-P energy: -65.733
tors. eta vs tors. theta energy: -78.326
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 173
Temperature: 1.100000
Total energy: -669.010979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -669.010979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -669.010979 (E_RNA)
where:
Base-Base interactions energy: -324.402
where: short stacking energy: -209.935
Base-Backbone interact. energy: -1.107
local terms energy: -343.501767
where:
bonds (distance) C4'-P energy: -81.323
bonds (distance) P-C4' energy: -87.020
flat angles C4'-P-C4' energy: -74.791
flat angles P-C4'-P energy: -61.864
tors. eta vs tors. theta energy: -38.504
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: 6, replica: 8
=====================================
Write number: 173
Temperature: 1.150000
Total energy: -490.240799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.240799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.240799 (E_RNA)
where:
Base-Base interactions energy: -173.848
where: short stacking energy: -133.959
Base-Backbone interact. energy: -2.451
local terms energy: -313.942260
where:
bonds (distance) C4'-P energy: -78.335
bonds (distance) P-C4' energy: -93.594
flat angles C4'-P-C4' energy: -84.098
flat angles P-C4'-P energy: -55.161
tors. eta vs tors. theta energy: -2.754
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: 7, replica: 9
=====================================
Write number: 173
Temperature: 1.200000
Total energy: -449.100945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -449.100945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -449.100945 (E_RNA)
where:
Base-Base interactions energy: -191.140
where: short stacking energy: -155.015
Base-Backbone interact. energy: 1.903
local terms energy: -259.863230
where:
bonds (distance) C4'-P energy: -62.198
bonds (distance) P-C4' energy: -84.788
flat angles C4'-P-C4' energy: -69.360
flat angles P-C4'-P energy: -43.040
tors. eta vs tors. theta energy: -0.477
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: 8, replica: 5
=====================================
Write number: 173
Temperature: 1.250000
Total energy: -423.041437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -423.041437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -423.041437 (E_RNA)
where:
Base-Base interactions energy: -161.988
where: short stacking energy: -128.874
Base-Backbone interact. energy: -1.578
local terms energy: -259.476171
where:
bonds (distance) C4'-P energy: -61.988
bonds (distance) P-C4' energy: -79.484
flat angles C4'-P-C4' energy: -69.848
flat angles P-C4'-P energy: -47.917
tors. eta vs tors. theta energy: -0.239
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 173
Temperature: 1.300000
Total energy: -389.032952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -389.032952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -389.032952 (E_RNA)
where:
Base-Base interactions energy: -153.938
where: short stacking energy: -136.028
Base-Backbone interact. energy: -2.282
local terms energy: -232.812532
where:
bonds (distance) C4'-P energy: -79.761
bonds (distance) P-C4' energy: -67.811
flat angles C4'-P-C4' energy: -57.773
flat angles P-C4'-P energy: -30.518
tors. eta vs tors. theta energy: 3.050
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 173
Temperature: 1.350000
Total energy: -334.709281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.709281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.709281 (E_RNA)
where:
Base-Base interactions energy: -84.669
where: short stacking energy: -82.712
Base-Backbone interact. energy: 1.640
local terms energy: -251.679754
where:
bonds (distance) C4'-P energy: -71.303
bonds (distance) P-C4' energy: -87.478
flat angles C4'-P-C4' energy: -73.064
flat angles P-C4'-P energy: -38.685
tors. eta vs tors. theta energy: 18.850
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: 1
=====================================
Write number: 174
Temperature: 0.900000
Total energy: -1236.909314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1236.909314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1236.909314 (E_RNA)
where:
Base-Base interactions energy: -749.503
where: short stacking energy: -423.022
Base-Backbone interact. energy: -0.407
local terms energy: -486.998833
where:
bonds (distance) C4'-P energy: -91.512
bonds (distance) P-C4' energy: -97.926
flat angles C4'-P-C4' energy: -103.435
flat angles P-C4'-P energy: -66.947
tors. eta vs tors. theta energy: -127.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 174
Temperature: 0.950000
Total energy: -1159.425960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1159.425960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1159.425960 (E_RNA)
where:
Base-Base interactions energy: -689.300
where: short stacking energy: -402.482
Base-Backbone interact. energy: -0.027
local terms energy: -470.098419
where:
bonds (distance) C4'-P energy: -99.296
bonds (distance) P-C4' energy: -86.746
flat angles C4'-P-C4' energy: -101.948
flat angles P-C4'-P energy: -61.654
tors. eta vs tors. theta energy: -120.455
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: 2
=====================================
Write number: 174
Temperature: 1.000000
Total energy: -959.234907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -959.234907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -959.234907 (E_RNA)
where:
Base-Base interactions energy: -536.571
where: short stacking energy: -315.783
Base-Backbone interact. energy: -1.544
local terms energy: -421.120442
where:
bonds (distance) C4'-P energy: -98.847
bonds (distance) P-C4' energy: -87.040
flat angles C4'-P-C4' energy: -90.241
flat angles P-C4'-P energy: -56.783
tors. eta vs tors. theta energy: -88.209
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 174
Temperature: 1.050000
Total energy: -819.606508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -819.606508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -819.606508 (E_RNA)
where:
Base-Base interactions energy: -444.827
where: short stacking energy: -267.269
Base-Backbone interact. energy: 6.336
local terms energy: -381.115161
where:
bonds (distance) C4'-P energy: -79.763
bonds (distance) P-C4' energy: -94.212
flat angles C4'-P-C4' energy: -95.701
flat angles P-C4'-P energy: -57.842
tors. eta vs tors. theta energy: -53.598
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: 7
=====================================
Write number: 174
Temperature: 1.100000
Total energy: -669.462318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -669.462318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -669.462318 (E_RNA)
where:
Base-Base interactions energy: -330.831
where: short stacking energy: -240.617
Base-Backbone interact. energy: -0.015
local terms energy: -338.616277
where:
bonds (distance) C4'-P energy: -75.882
bonds (distance) P-C4' energy: -90.124
flat angles C4'-P-C4' energy: -78.865
flat angles P-C4'-P energy: -53.984
tors. eta vs tors. theta energy: -39.762
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: 8
=====================================
Write number: 174
Temperature: 1.150000
Total energy: -541.530788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.530788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.530788 (E_RNA)
where:
Base-Base interactions energy: -213.903
where: short stacking energy: -185.356
Base-Backbone interact. energy: -2.602
local terms energy: -325.026132
where:
bonds (distance) C4'-P energy: -68.205
bonds (distance) P-C4' energy: -86.585
flat angles C4'-P-C4' energy: -85.752
flat angles P-C4'-P energy: -55.752
tors. eta vs tors. theta energy: -28.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 174
Temperature: 1.200000
Total energy: -424.918977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -424.918977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -424.918977 (E_RNA)
where:
Base-Base interactions energy: -149.736
where: short stacking energy: -127.944
Base-Backbone interact. energy: 0.970
local terms energy: -276.153344
where:
bonds (distance) C4'-P energy: -78.482
bonds (distance) P-C4' energy: -68.206
flat angles C4'-P-C4' energy: -73.953
flat angles P-C4'-P energy: -52.879
tors. eta vs tors. theta energy: -2.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 174
Temperature: 1.250000
Total energy: -424.335604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -424.335604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -424.335604 (E_RNA)
where:
Base-Base interactions energy: -139.351
where: short stacking energy: -122.435
Base-Backbone interact. energy: -0.888
local terms energy: -284.097418
where:
bonds (distance) C4'-P energy: -77.340
bonds (distance) P-C4' energy: -82.318
flat angles C4'-P-C4' energy: -71.398
flat angles P-C4'-P energy: -53.515
tors. eta vs tors. theta energy: 0.473
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: 3
=====================================
Write number: 174
Temperature: 1.300000
Total energy: -403.334840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.334840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -403.334840 (E_RNA)
where:
Base-Base interactions energy: -152.668
where: short stacking energy: -140.949
Base-Backbone interact. energy: -0.306
local terms energy: -250.360264
where:
bonds (distance) C4'-P energy: -80.379
bonds (distance) P-C4' energy: -91.275
flat angles C4'-P-C4' energy: -52.248
flat angles P-C4'-P energy: -30.618
tors. eta vs tors. theta energy: 4.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 174
Temperature: 1.350000
Total energy: -346.543451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.543451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.543451 (E_RNA)
where:
Base-Base interactions energy: -112.245
where: short stacking energy: -88.199
Base-Backbone interact. energy: 0.940
local terms energy: -235.238697
where:
bonds (distance) C4'-P energy: -60.632
bonds (distance) P-C4' energy: -83.710
flat angles C4'-P-C4' energy: -67.428
flat angles P-C4'-P energy: -32.469
tors. eta vs tors. theta energy: 9.001
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 175
Temperature: 0.900000
Total energy: -1224.367414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1224.367414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1224.367414 (E_RNA)
where:
Base-Base interactions energy: -739.010
where: short stacking energy: -427.981
Base-Backbone interact. energy: -2.391
local terms energy: -482.965913
where:
bonds (distance) C4'-P energy: -85.053
bonds (distance) P-C4' energy: -99.944
flat angles C4'-P-C4' energy: -98.497
flat angles P-C4'-P energy: -73.571
tors. eta vs tors. theta energy: -125.901
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 175
Temperature: 0.950000
Total energy: -1172.633384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1172.633384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1172.633384 (E_RNA)
where:
Base-Base interactions energy: -710.793
where: short stacking energy: -392.938
Base-Backbone interact. energy: 0.806
local terms energy: -462.645739
where:
bonds (distance) C4'-P energy: -84.523
bonds (distance) P-C4' energy: -83.557
flat angles C4'-P-C4' energy: -103.970
flat angles P-C4'-P energy: -72.439
tors. eta vs tors. theta energy: -118.156
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: 3, replica: 2
=====================================
Write number: 175
Temperature: 1.000000
Total energy: -1028.158358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1028.158358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1028.158358 (E_RNA)
where:
Base-Base interactions energy: -583.328
where: short stacking energy: -338.202
Base-Backbone interact. energy: -3.260
local terms energy: -441.570772
where:
bonds (distance) C4'-P energy: -83.344
bonds (distance) P-C4' energy: -101.235
flat angles C4'-P-C4' energy: -89.350
flat angles P-C4'-P energy: -77.949
tors. eta vs tors. theta energy: -89.693
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: 4, replica: 6
=====================================
Write number: 175
Temperature: 1.050000
Total energy: -796.144619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -796.144619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -796.144619 (E_RNA)
where:
Base-Base interactions energy: -424.479
where: short stacking energy: -268.090
Base-Backbone interact. energy: 1.617
local terms energy: -373.282707
where:
bonds (distance) C4'-P energy: -75.488
bonds (distance) P-C4' energy: -85.142
flat angles C4'-P-C4' energy: -99.283
flat angles P-C4'-P energy: -49.932
tors. eta vs tors. theta energy: -63.438
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: 7
=====================================
Write number: 175
Temperature: 1.100000
Total energy: -678.977307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -678.977307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -678.977307 (E_RNA)
where:
Base-Base interactions energy: -344.055
where: short stacking energy: -217.962
Base-Backbone interact. energy: -1.503
local terms energy: -333.419069
where:
bonds (distance) C4'-P energy: -82.306
bonds (distance) P-C4' energy: -76.034
flat angles C4'-P-C4' energy: -87.161
flat angles P-C4'-P energy: -56.284
tors. eta vs tors. theta energy: -31.634
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 175
Temperature: 1.150000
Total energy: -554.008445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -554.008445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -554.008445 (E_RNA)
where:
Base-Base interactions energy: -253.197
where: short stacking energy: -182.935
Base-Backbone interact. energy: 2.743
local terms energy: -303.554919
where:
bonds (distance) C4'-P energy: -77.178
bonds (distance) P-C4' energy: -82.263
flat angles C4'-P-C4' energy: -67.753
flat angles P-C4'-P energy: -44.880
tors. eta vs tors. theta energy: -31.482
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: 5
=====================================
Write number: 175
Temperature: 1.200000
Total energy: -455.707371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -455.707371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -455.707371 (E_RNA)
where:
Base-Base interactions energy: -169.198
where: short stacking energy: -133.522
Base-Backbone interact. energy: -1.435
local terms energy: -285.074080
where:
bonds (distance) C4'-P energy: -88.704
bonds (distance) P-C4' energy: -91.567
flat angles C4'-P-C4' energy: -76.853
flat angles P-C4'-P energy: -34.618
tors. eta vs tors. theta energy: 6.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 175
Temperature: 1.250000
Total energy: -382.743605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -382.743605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -382.743605 (E_RNA)
where:
Base-Base interactions energy: -125.606
where: short stacking energy: -118.408
Base-Backbone interact. energy: 2.798
local terms energy: -259.935788
where:
bonds (distance) C4'-P energy: -79.309
bonds (distance) P-C4' energy: -74.027
flat angles C4'-P-C4' energy: -66.795
flat angles P-C4'-P energy: -55.454
tors. eta vs tors. theta energy: 15.649
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: 9
=====================================
Write number: 175
Temperature: 1.300000
Total energy: -399.382427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -399.382427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -399.382427 (E_RNA)
where:
Base-Base interactions energy: -136.912
where: short stacking energy: -113.237
Base-Backbone interact. energy: 1.828
local terms energy: -264.298123
where:
bonds (distance) C4'-P energy: -73.291
bonds (distance) P-C4' energy: -85.682
flat angles C4'-P-C4' energy: -66.922
flat angles P-C4'-P energy: -54.044
tors. eta vs tors. theta energy: 15.642
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 175
Temperature: 1.350000
Total energy: -347.823057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.823057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.823057 (E_RNA)
where:
Base-Base interactions energy: -119.221
where: short stacking energy: -116.143
Base-Backbone interact. energy: -0.791
local terms energy: -227.811410
where:
bonds (distance) C4'-P energy: -81.638
bonds (distance) P-C4' energy: -77.217
flat angles C4'-P-C4' energy: -50.888
flat angles P-C4'-P energy: -36.666
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: 1, replica: 1
=====================================
Write number: 176
Temperature: 0.900000
Total energy: -1213.132068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1213.132068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1213.132068 (E_RNA)
where:
Base-Base interactions energy: -741.496
where: short stacking energy: -420.108
Base-Backbone interact. energy: -2.643
local terms energy: -468.992802
where:
bonds (distance) C4'-P energy: -87.069
bonds (distance) P-C4' energy: -93.366
flat angles C4'-P-C4' energy: -108.714
flat angles P-C4'-P energy: -56.657
tors. eta vs tors. theta energy: -123.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 176
Temperature: 0.950000
Total energy: -1141.346609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1141.346609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1141.346609 (E_RNA)
where:
Base-Base interactions energy: -687.130
where: short stacking energy: -390.259
Base-Backbone interact. energy: 2.458
local terms energy: -456.674544
where:
bonds (distance) C4'-P energy: -74.444
bonds (distance) P-C4' energy: -92.109
flat angles C4'-P-C4' energy: -102.676
flat angles P-C4'-P energy: -73.589
tors. eta vs tors. theta energy: -113.857
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: 3, replica: 2
=====================================
Write number: 176
Temperature: 1.000000
Total energy: -1021.320951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1021.320951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1021.320951 (E_RNA)
where:
Base-Base interactions energy: -588.168
where: short stacking energy: -350.337
Base-Backbone interact. energy: -2.126
local terms energy: -431.027733
where:
bonds (distance) C4'-P energy: -84.511
bonds (distance) P-C4' energy: -91.393
flat angles C4'-P-C4' energy: -98.689
flat angles P-C4'-P energy: -54.924
tors. eta vs tors. theta energy: -101.511
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: 6
=====================================
Write number: 176
Temperature: 1.050000
Total energy: -830.750904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -830.750904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -830.750904 (E_RNA)
where:
Base-Base interactions energy: -448.495
where: short stacking energy: -284.149
Base-Backbone interact. energy: 0.926
local terms energy: -383.182125
where:
bonds (distance) C4'-P energy: -75.821
bonds (distance) P-C4' energy: -88.850
flat angles C4'-P-C4' energy: -95.863
flat angles P-C4'-P energy: -50.574
tors. eta vs tors. theta energy: -72.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 176
Temperature: 1.100000
Total energy: -716.199986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -716.199986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -716.199986 (E_RNA)
where:
Base-Base interactions energy: -363.931
where: short stacking energy: -229.837
Base-Backbone interact. energy: -1.677
local terms energy: -350.592396
where:
bonds (distance) C4'-P energy: -95.151
bonds (distance) P-C4' energy: -91.413
flat angles C4'-P-C4' energy: -76.327
flat angles P-C4'-P energy: -50.892
tors. eta vs tors. theta energy: -36.808
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: 8
=====================================
Write number: 176
Temperature: 1.150000
Total energy: -554.445643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -554.445643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -554.445643 (E_RNA)
where:
Base-Base interactions energy: -226.630
where: short stacking energy: -192.151
Base-Backbone interact. energy: -2.105
local terms energy: -325.711079
where:
bonds (distance) C4'-P energy: -73.195
bonds (distance) P-C4' energy: -90.626
flat angles C4'-P-C4' energy: -78.304
flat angles P-C4'-P energy: -44.933
tors. eta vs tors. theta energy: -38.653
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: 5
=====================================
Write number: 176
Temperature: 1.200000
Total energy: -467.465353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -467.465353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -467.465353 (E_RNA)
where:
Base-Base interactions energy: -172.571
where: short stacking energy: -142.752
Base-Backbone interact. energy: 9.617
local terms energy: -304.511288
where:
bonds (distance) C4'-P energy: -95.263
bonds (distance) P-C4' energy: -95.377
flat angles C4'-P-C4' energy: -60.782
flat angles P-C4'-P energy: -44.866
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: 8, replica: 3
=====================================
Write number: 176
Temperature: 1.250000
Total energy: -393.276718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.276718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -393.276718 (E_RNA)
where:
Base-Base interactions energy: -140.909
where: short stacking energy: -124.829
Base-Backbone interact. energy: -0.532
local terms energy: -251.836168
where:
bonds (distance) C4'-P energy: -64.158
bonds (distance) P-C4' energy: -77.610
flat angles C4'-P-C4' energy: -52.499
flat angles P-C4'-P energy: -49.333
tors. eta vs tors. theta energy: -8.236
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 176
Temperature: 1.300000
Total energy: -373.938566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.938566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.938566 (E_RNA)
where:
Base-Base interactions energy: -111.589
where: short stacking energy: -97.243
Base-Backbone interact. energy: -1.557
local terms energy: -260.792460
where:
bonds (distance) C4'-P energy: -78.572
bonds (distance) P-C4' energy: -83.059
flat angles C4'-P-C4' energy: -65.514
flat angles P-C4'-P energy: -38.116
tors. eta vs tors. theta energy: 4.469
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: 10
=====================================
Write number: 176
Temperature: 1.350000
Total energy: -372.879160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -372.879160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -372.879160 (E_RNA)
where:
Base-Base interactions energy: -100.075
where: short stacking energy: -94.330
Base-Backbone interact. energy: 0.236
local terms energy: -273.040629
where:
bonds (distance) C4'-P energy: -79.761
bonds (distance) P-C4' energy: -84.067
flat angles C4'-P-C4' energy: -65.356
flat angles P-C4'-P energy: -49.771
tors. eta vs tors. theta energy: 5.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 177
Temperature: 0.900000
Total energy: -1192.829819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1192.829819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1192.829819 (E_RNA)
where:
Base-Base interactions energy: -715.200
where: short stacking energy: -433.413
Base-Backbone interact. energy: -1.609
local terms energy: -476.020875
where:
bonds (distance) C4'-P energy: -91.130
bonds (distance) P-C4' energy: -93.930
flat angles C4'-P-C4' energy: -94.073
flat angles P-C4'-P energy: -80.015
tors. eta vs tors. theta energy: -116.872
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: 4
=====================================
Write number: 177
Temperature: 0.950000
Total energy: -1174.155815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1174.155815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1174.155815 (E_RNA)
where:
Base-Base interactions energy: -708.160
where: short stacking energy: -401.594
Base-Backbone interact. energy: -0.045
local terms energy: -465.950886
where:
bonds (distance) C4'-P energy: -83.249
bonds (distance) P-C4' energy: -96.689
flat angles C4'-P-C4' energy: -101.144
flat angles P-C4'-P energy: -65.171
tors. eta vs tors. theta energy: -119.698
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 177
Temperature: 1.000000
Total energy: -1009.276656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1009.276656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1009.276656 (E_RNA)
where:
Base-Base interactions energy: -596.413
where: short stacking energy: -326.151
Base-Backbone interact. energy: -1.458
local terms energy: -411.405632
where:
bonds (distance) C4'-P energy: -81.474
bonds (distance) P-C4' energy: -92.914
flat angles C4'-P-C4' energy: -99.673
flat angles P-C4'-P energy: -56.098
tors. eta vs tors. theta energy: -81.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 177
Temperature: 1.050000
Total energy: -851.703906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -851.703906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -851.703906 (E_RNA)
where:
Base-Base interactions energy: -447.561
where: short stacking energy: -296.588
Base-Backbone interact. energy: -0.353
local terms energy: -403.790656
where:
bonds (distance) C4'-P energy: -91.013
bonds (distance) P-C4' energy: -89.800
flat angles C4'-P-C4' energy: -86.263
flat angles P-C4'-P energy: -61.659
tors. eta vs tors. theta energy: -75.055
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: 5, replica: 7
=====================================
Write number: 177
Temperature: 1.100000
Total energy: -649.405981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -649.405981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -649.405981 (E_RNA)
where:
Base-Base interactions energy: -311.814
where: short stacking energy: -197.960
Base-Backbone interact. energy: -0.050
local terms energy: -337.541811
where:
bonds (distance) C4'-P energy: -84.347
bonds (distance) P-C4' energy: -92.960
flat angles C4'-P-C4' energy: -81.359
flat angles P-C4'-P energy: -53.246
tors. eta vs tors. theta energy: -25.630
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: 5
=====================================
Write number: 177
Temperature: 1.150000
Total energy: -498.005790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.005790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.005790 (E_RNA)
where:
Base-Base interactions energy: -184.096
where: short stacking energy: -170.465
Base-Backbone interact. energy: 4.146
local terms energy: -318.055877
where:
bonds (distance) C4'-P energy: -78.522
bonds (distance) P-C4' energy: -88.012
flat angles C4'-P-C4' energy: -87.850
flat angles P-C4'-P energy: -41.349
tors. eta vs tors. theta energy: -22.322
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 177
Temperature: 1.200000
Total energy: -454.640444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -454.640444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -454.640444 (E_RNA)
where:
Base-Base interactions energy: -158.883
where: short stacking energy: -125.458
Base-Backbone interact. energy: -0.982
local terms energy: -294.775895
where:
bonds (distance) C4'-P energy: -81.375
bonds (distance) P-C4' energy: -94.964
flat angles C4'-P-C4' energy: -75.671
flat angles P-C4'-P energy: -41.797
tors. eta vs tors. theta energy: -0.969
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 177
Temperature: 1.250000
Total energy: -415.528222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -415.528222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -415.528222 (E_RNA)
where:
Base-Base interactions energy: -142.371
where: short stacking energy: -126.432
Base-Backbone interact. energy: -0.971
local terms energy: -272.185506
where:
bonds (distance) C4'-P energy: -87.671
bonds (distance) P-C4' energy: -80.088
flat angles C4'-P-C4' energy: -59.589
flat angles P-C4'-P energy: -40.667
tors. eta vs tors. theta energy: -4.170
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 177
Temperature: 1.300000
Total energy: -381.552698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -381.552698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -381.552698 (E_RNA)
where:
Base-Base interactions energy: -127.693
where: short stacking energy: -116.610
Base-Backbone interact. energy: -0.739
local terms energy: -253.120908
where:
bonds (distance) C4'-P energy: -78.574
bonds (distance) P-C4' energy: -75.438
flat angles C4'-P-C4' energy: -68.262
flat angles P-C4'-P energy: -42.584
tors. eta vs tors. theta energy: 11.738
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 177
Temperature: 1.350000
Total energy: -352.287400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.287400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.287400 (E_RNA)
where:
Base-Base interactions energy: -116.899
where: short stacking energy: -100.680
Base-Backbone interact. energy: -0.018
local terms energy: -235.369820
where:
bonds (distance) C4'-P energy: -78.292
bonds (distance) P-C4' energy: -71.595
flat angles C4'-P-C4' energy: -58.844
flat angles P-C4'-P energy: -36.989
tors. eta vs tors. theta energy: 10.350
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: 178
Temperature: 0.900000
Total energy: -1222.717244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1222.717244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1222.717244 (E_RNA)
where:
Base-Base interactions energy: -738.279
where: short stacking energy: -439.000
Base-Backbone interact. energy: 1.393
local terms energy: -485.831168
where:
bonds (distance) C4'-P energy: -81.738
bonds (distance) P-C4' energy: -89.840
flat angles C4'-P-C4' energy: -109.359
flat angles P-C4'-P energy: -70.478
tors. eta vs tors. theta energy: -134.417
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: 178
Temperature: 0.950000
Total energy: -1164.646031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1164.646031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1164.646031 (E_RNA)
where:
Base-Base interactions energy: -678.297
where: short stacking energy: -412.698
Base-Backbone interact. energy: -0.177
local terms energy: -486.172513
where:
bonds (distance) C4'-P energy: -94.297
bonds (distance) P-C4' energy: -97.245
flat angles C4'-P-C4' energy: -95.221
flat angles P-C4'-P energy: -71.500
tors. eta vs tors. theta energy: -127.909
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 178
Temperature: 1.000000
Total energy: -1055.086373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1055.086373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1055.086373 (E_RNA)
where:
Base-Base interactions energy: -608.264
where: short stacking energy: -354.756
Base-Backbone interact. energy: -0.417
local terms energy: -446.405776
where:
bonds (distance) C4'-P energy: -85.109
bonds (distance) P-C4' energy: -94.360
flat angles C4'-P-C4' energy: -100.160
flat angles P-C4'-P energy: -61.984
tors. eta vs tors. theta energy: -104.793
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: 178
Temperature: 1.050000
Total energy: -839.703790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -839.703790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -839.703790 (E_RNA)
where:
Base-Base interactions energy: -463.690
where: short stacking energy: -291.793
Base-Backbone interact. energy: -1.419
local terms energy: -374.595447
where:
bonds (distance) C4'-P energy: -83.562
bonds (distance) P-C4' energy: -90.083
flat angles C4'-P-C4' energy: -83.028
flat angles P-C4'-P energy: -44.396
tors. eta vs tors. theta energy: -73.527
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 178
Temperature: 1.100000
Total energy: -669.580193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -669.580193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -669.580193 (E_RNA)
where:
Base-Base interactions energy: -329.190
where: short stacking energy: -222.761
Base-Backbone interact. energy: -1.308
local terms energy: -339.081722
where:
bonds (distance) C4'-P energy: -77.558
bonds (distance) P-C4' energy: -88.194
flat angles C4'-P-C4' energy: -74.472
flat angles P-C4'-P energy: -53.424
tors. eta vs tors. theta energy: -45.434
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: 5
=====================================
Write number: 178
Temperature: 1.150000
Total energy: -487.275313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.275313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.275313 (E_RNA)
where:
Base-Base interactions energy: -201.180
where: short stacking energy: -176.532
Base-Backbone interact. energy: 0.762
local terms energy: -286.857695
where:
bonds (distance) C4'-P energy: -70.530
bonds (distance) P-C4' energy: -93.305
flat angles C4'-P-C4' energy: -75.755
flat angles P-C4'-P energy: -35.149
tors. eta vs tors. theta energy: -12.119
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 178
Temperature: 1.200000
Total energy: -439.526263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -439.526263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -439.526263 (E_RNA)
where:
Base-Base interactions energy: -168.302
where: short stacking energy: -133.053
Base-Backbone interact. energy: 1.955
local terms energy: -273.178944
where:
bonds (distance) C4'-P energy: -67.281
bonds (distance) P-C4' energy: -82.122
flat angles C4'-P-C4' energy: -76.267
flat angles P-C4'-P energy: -46.499
tors. eta vs tors. theta energy: -1.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 178
Temperature: 1.250000
Total energy: -449.183094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -449.183094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -449.183094 (E_RNA)
where:
Base-Base interactions energy: -176.891
where: short stacking energy: -128.314
Base-Backbone interact. energy: -0.390
local terms energy: -271.902166
where:
bonds (distance) C4'-P energy: -80.793
bonds (distance) P-C4' energy: -80.720
flat angles C4'-P-C4' energy: -76.459
flat angles P-C4'-P energy: -25.915
tors. eta vs tors. theta energy: -8.016
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: 10
=====================================
Write number: 178
Temperature: 1.300000
Total energy: -374.849202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -374.849202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -374.849202 (E_RNA)
where:
Base-Base interactions energy: -111.440
where: short stacking energy: -107.596
Base-Backbone interact. energy: -0.465
local terms energy: -262.944106
where:
bonds (distance) C4'-P energy: -85.268
bonds (distance) P-C4' energy: -75.268
flat angles C4'-P-C4' energy: -63.042
flat angles P-C4'-P energy: -39.020
tors. eta vs tors. theta energy: -0.345
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 178
Temperature: 1.350000
Total energy: -355.439168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.439168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.439168 (E_RNA)
where:
Base-Base interactions energy: -104.336
where: short stacking energy: -82.548
Base-Backbone interact. energy: -1.329
local terms energy: -249.774932
where:
bonds (distance) C4'-P energy: -74.295
bonds (distance) P-C4' energy: -83.126
flat angles C4'-P-C4' energy: -74.954
flat angles P-C4'-P energy: -37.607
tors. eta vs tors. theta energy: 20.207
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: 1
=====================================
Write number: 179
Temperature: 0.900000
Total energy: -1238.578691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1238.578691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1238.578691 (E_RNA)
where:
Base-Base interactions energy: -735.061
where: short stacking energy: -440.708
Base-Backbone interact. energy: -1.446
local terms energy: -502.071520
where:
bonds (distance) C4'-P energy: -87.668
bonds (distance) P-C4' energy: -92.105
flat angles C4'-P-C4' energy: -112.475
flat angles P-C4'-P energy: -76.910
tors. eta vs tors. theta energy: -132.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 179
Temperature: 0.950000
Total energy: -1149.470795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1149.470795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1149.470795 (E_RNA)
where:
Base-Base interactions energy: -669.392
where: short stacking energy: -405.110
Base-Backbone interact. energy: -0.913
local terms energy: -479.165397
where:
bonds (distance) C4'-P energy: -95.138
bonds (distance) P-C4' energy: -86.731
flat angles C4'-P-C4' energy: -104.063
flat angles P-C4'-P energy: -61.193
tors. eta vs tors. theta energy: -132.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 179
Temperature: 1.000000
Total energy: -1021.373188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1021.373188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1021.373188 (E_RNA)
where:
Base-Base interactions energy: -609.293
where: short stacking energy: -324.793
Base-Backbone interact. energy: -1.862
local terms energy: -410.217431
where:
bonds (distance) C4'-P energy: -77.647
bonds (distance) P-C4' energy: -89.843
flat angles C4'-P-C4' energy: -88.827
flat angles P-C4'-P energy: -58.511
tors. eta vs tors. theta energy: -95.390
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: 6
=====================================
Write number: 179
Temperature: 1.050000
Total energy: -875.515462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -875.515462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -875.515462 (E_RNA)
where:
Base-Base interactions energy: -464.149
where: short stacking energy: -298.395
Base-Backbone interact. energy: -0.568
local terms energy: -410.798378
where:
bonds (distance) C4'-P energy: -98.533
bonds (distance) P-C4' energy: -94.686
flat angles C4'-P-C4' energy: -92.401
flat angles P-C4'-P energy: -65.324
tors. eta vs tors. theta energy: -59.854
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: 5, replica: 7
=====================================
Write number: 179
Temperature: 1.100000
Total energy: -678.594158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -678.594158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -678.594158 (E_RNA)
where:
Base-Base interactions energy: -335.627
where: short stacking energy: -239.049
Base-Backbone interact. energy: -1.342
local terms energy: -341.624393
where:
bonds (distance) C4'-P energy: -94.000
bonds (distance) P-C4' energy: -85.616
flat angles C4'-P-C4' energy: -79.181
flat angles P-C4'-P energy: -41.708
tors. eta vs tors. theta energy: -41.120
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 179
Temperature: 1.150000
Total energy: -518.205224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.205224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.205224 (E_RNA)
where:
Base-Base interactions energy: -190.124
where: short stacking energy: -163.981
Base-Backbone interact. energy: -0.433
local terms energy: -327.647705
where:
bonds (distance) C4'-P energy: -83.023
bonds (distance) P-C4' energy: -94.206
flat angles C4'-P-C4' energy: -82.479
flat angles P-C4'-P energy: -54.602
tors. eta vs tors. theta energy: -13.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 179
Temperature: 1.200000
Total energy: -447.875138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -447.875138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -447.875138 (E_RNA)
where:
Base-Base interactions energy: -161.388
where: short stacking energy: -149.040
Base-Backbone interact. energy: 1.047
local terms energy: -287.534261
where:
bonds (distance) C4'-P energy: -67.471
bonds (distance) P-C4' energy: -92.882
flat angles C4'-P-C4' energy: -65.983
flat angles P-C4'-P energy: -37.982
tors. eta vs tors. theta energy: -23.216
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: 9
=====================================
Write number: 179
Temperature: 1.250000
Total energy: -465.579745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -465.579745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -465.579745 (E_RNA)
where:
Base-Base interactions energy: -194.010
where: short stacking energy: -141.813
Base-Backbone interact. energy: -1.254
local terms energy: -270.315319
where:
bonds (distance) C4'-P energy: -83.624
bonds (distance) P-C4' energy: -76.878
flat angles C4'-P-C4' energy: -55.901
flat angles P-C4'-P energy: -39.973
tors. eta vs tors. theta energy: -13.939
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: 10
=====================================
Write number: 179
Temperature: 1.300000
Total energy: -406.470086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.470086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -406.470086 (E_RNA)
where:
Base-Base interactions energy: -132.838
where: short stacking energy: -100.411
Base-Backbone interact. energy: -1.305
local terms energy: -272.327141
where:
bonds (distance) C4'-P energy: -79.201
bonds (distance) P-C4' energy: -76.203
flat angles C4'-P-C4' energy: -79.033
flat angles P-C4'-P energy: -35.968
tors. eta vs tors. theta energy: -1.923
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: 10, replica: 3
=====================================
Write number: 179
Temperature: 1.350000
Total energy: -347.832472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.832472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.832472 (E_RNA)
where:
Base-Base interactions energy: -113.525
where: short stacking energy: -105.330
Base-Backbone interact. energy: -0.965
local terms energy: -233.342366
where:
bonds (distance) C4'-P energy: -65.423
bonds (distance) P-C4' energy: -84.301
flat angles C4'-P-C4' energy: -52.148
flat angles P-C4'-P energy: -48.699
tors. eta vs tors. theta energy: 17.229
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: 1, replica: 1
=====================================
Write number: 180
Temperature: 0.900000
Total energy: -1231.926269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1231.926269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1231.926269 (E_RNA)
where:
Base-Base interactions energy: -748.556
where: short stacking energy: -427.600
Base-Backbone interact. energy: -0.892
local terms energy: -482.478065
where:
bonds (distance) C4'-P energy: -76.740
bonds (distance) P-C4' energy: -92.108
flat angles C4'-P-C4' energy: -103.575
flat angles P-C4'-P energy: -74.035
tors. eta vs tors. theta energy: -136.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 180
Temperature: 0.950000
Total energy: -1159.657817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1159.657817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1159.657817 (E_RNA)
where:
Base-Base interactions energy: -680.635
where: short stacking energy: -382.551
Base-Backbone interact. energy: 0.844
local terms energy: -479.865967
where:
bonds (distance) C4'-P energy: -101.516
bonds (distance) P-C4' energy: -91.415
flat angles C4'-P-C4' energy: -99.749
flat angles P-C4'-P energy: -66.433
tors. eta vs tors. theta energy: -120.753
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: 2
=====================================
Write number: 180
Temperature: 1.000000
Total energy: -953.211394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -953.211394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -953.211394 (E_RNA)
where:
Base-Base interactions energy: -541.408
where: short stacking energy: -294.325
Base-Backbone interact. energy: -2.477
local terms energy: -409.327372
where:
bonds (distance) C4'-P energy: -90.969
bonds (distance) P-C4' energy: -86.831
flat angles C4'-P-C4' energy: -94.757
flat angles P-C4'-P energy: -66.546
tors. eta vs tors. theta energy: -70.224
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: 4, replica: 6
=====================================
Write number: 180
Temperature: 1.050000
Total energy: -813.214938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -813.214938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -813.214938 (E_RNA)
where:
Base-Base interactions energy: -426.344
where: short stacking energy: -266.460
Base-Backbone interact. energy: -0.457
local terms energy: -386.414390
where:
bonds (distance) C4'-P energy: -87.194
bonds (distance) P-C4' energy: -91.309
flat angles C4'-P-C4' energy: -80.351
flat angles P-C4'-P energy: -63.361
tors. eta vs tors. theta energy: -64.198
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 180
Temperature: 1.100000
Total energy: -671.885905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -671.885905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -671.885905 (E_RNA)
where:
Base-Base interactions energy: -310.013
where: short stacking energy: -215.996
Base-Backbone interact. energy: 8.259
local terms energy: -370.132120
where:
bonds (distance) C4'-P energy: -80.762
bonds (distance) P-C4' energy: -95.094
flat angles C4'-P-C4' energy: -79.971
flat angles P-C4'-P energy: -62.848
tors. eta vs tors. theta energy: -51.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 180
Temperature: 1.150000
Total energy: -523.699073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.699073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.699073 (E_RNA)
where:
Base-Base interactions energy: -201.431
where: short stacking energy: -160.152
Base-Backbone interact. energy: -0.276
local terms energy: -321.992132
where:
bonds (distance) C4'-P energy: -81.462
bonds (distance) P-C4' energy: -85.487
flat angles C4'-P-C4' energy: -88.141
flat angles P-C4'-P energy: -50.234
tors. eta vs tors. theta energy: -16.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 180
Temperature: 1.200000
Total energy: -451.311791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -451.311791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -451.311791 (E_RNA)
where:
Base-Base interactions energy: -162.870
where: short stacking energy: -159.582
Base-Backbone interact. energy: -0.073
local terms energy: -288.368548
where:
bonds (distance) C4'-P energy: -66.126
bonds (distance) P-C4' energy: -80.174
flat angles C4'-P-C4' energy: -75.142
flat angles P-C4'-P energy: -38.352
tors. eta vs tors. theta energy: -28.574
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 180
Temperature: 1.250000
Total energy: -445.954023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -445.954023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -445.954023 (E_RNA)
where:
Base-Base interactions energy: -167.710
where: short stacking energy: -115.902
Base-Backbone interact. energy: 1.505
local terms energy: -279.749845
where:
bonds (distance) C4'-P energy: -88.721
bonds (distance) P-C4' energy: -81.484
flat angles C4'-P-C4' energy: -72.435
flat angles P-C4'-P energy: -43.659
tors. eta vs tors. theta energy: 6.549
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 180
Temperature: 1.300000
Total energy: -359.867708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.867708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.867708 (E_RNA)
where:
Base-Base interactions energy: -117.213
where: short stacking energy: -104.128
Base-Backbone interact. energy: 1.471
local terms energy: -244.125472
where:
bonds (distance) C4'-P energy: -65.761
bonds (distance) P-C4' energy: -85.510
flat angles C4'-P-C4' energy: -74.266
flat angles P-C4'-P energy: -40.757
tors. eta vs tors. theta energy: 22.168
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 180
Temperature: 1.350000
Total energy: -383.358805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -383.358805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -383.358805 (E_RNA)
where:
Base-Base interactions energy: -144.868
where: short stacking energy: -125.633
Base-Backbone interact. energy: -0.135
local terms energy: -238.355778
where:
bonds (distance) C4'-P energy: -66.524
bonds (distance) P-C4' energy: -86.824
flat angles C4'-P-C4' energy: -57.173
flat angles P-C4'-P energy: -28.554
tors. eta vs tors. theta energy: 0.720
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 181
Temperature: 0.900000
Total energy: -1220.185401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1220.185401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1220.185401 (E_RNA)
where:
Base-Base interactions energy: -759.821
where: short stacking energy: -418.325
Base-Backbone interact. energy: -1.067
local terms energy: -459.297370
where:
bonds (distance) C4'-P energy: -86.205
bonds (distance) P-C4' energy: -88.310
flat angles C4'-P-C4' energy: -106.859
flat angles P-C4'-P energy: -64.316
tors. eta vs tors. theta energy: -113.607
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: 4
=====================================
Write number: 181
Temperature: 0.950000
Total energy: -1169.952795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1169.952795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1169.952795 (E_RNA)
where:
Base-Base interactions energy: -691.011
where: short stacking energy: -395.437
Base-Backbone interact. energy: -1.021
local terms energy: -477.920698
where:
bonds (distance) C4'-P energy: -92.910
bonds (distance) P-C4' energy: -92.705
flat angles C4'-P-C4' energy: -96.583
flat angles P-C4'-P energy: -70.851
tors. eta vs tors. theta energy: -124.871
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: 2
=====================================
Write number: 181
Temperature: 1.000000
Total energy: -989.780644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -989.780644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -989.780644 (E_RNA)
where:
Base-Base interactions energy: -556.511
where: short stacking energy: -308.723
Base-Backbone interact. energy: -1.461
local terms energy: -431.808245
where:
bonds (distance) C4'-P energy: -85.008
bonds (distance) P-C4' energy: -96.038
flat angles C4'-P-C4' energy: -98.451
flat angles P-C4'-P energy: -67.561
tors. eta vs tors. theta energy: -84.750
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 181
Temperature: 1.050000
Total energy: -807.601431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -807.601431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -807.601431 (E_RNA)
where:
Base-Base interactions energy: -443.780
where: short stacking energy: -263.794
Base-Backbone interact. energy: -0.919
local terms energy: -362.902431
where:
bonds (distance) C4'-P energy: -91.772
bonds (distance) P-C4' energy: -67.858
flat angles C4'-P-C4' energy: -88.167
flat angles P-C4'-P energy: -54.516
tors. eta vs tors. theta energy: -60.589
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: 7
=====================================
Write number: 181
Temperature: 1.100000
Total energy: -687.865512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -687.865512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -687.865512 (E_RNA)
where:
Base-Base interactions energy: -313.705
where: short stacking energy: -209.416
Base-Backbone interact. energy: -2.825
local terms energy: -371.335403
where:
bonds (distance) C4'-P energy: -90.344
bonds (distance) P-C4' energy: -99.269
flat angles C4'-P-C4' energy: -89.845
flat angles P-C4'-P energy: -61.529
tors. eta vs tors. theta energy: -30.349
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 181
Temperature: 1.150000
Total energy: -486.475506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -486.475506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -486.475506 (E_RNA)
where:
Base-Base interactions energy: -163.049
where: short stacking energy: -153.636
Base-Backbone interact. energy: -0.089
local terms energy: -323.337493
where:
bonds (distance) C4'-P energy: -86.629
bonds (distance) P-C4' energy: -97.457
flat angles C4'-P-C4' energy: -83.084
flat angles P-C4'-P energy: -49.830
tors. eta vs tors. theta energy: -6.338
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: 5
=====================================
Write number: 181
Temperature: 1.200000
Total energy: -460.218196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -460.218196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -460.218196 (E_RNA)
where:
Base-Base interactions energy: -175.590
where: short stacking energy: -149.299
Base-Backbone interact. energy: 3.080
local terms energy: -287.708358
where:
bonds (distance) C4'-P energy: -78.735
bonds (distance) P-C4' energy: -64.950
flat angles C4'-P-C4' energy: -79.705
flat angles P-C4'-P energy: -52.471
tors. eta vs tors. theta energy: -11.847
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: 8, replica: 3
=====================================
Write number: 181
Temperature: 1.250000
Total energy: -411.055863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.055863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.055863 (E_RNA)
where:
Base-Base interactions energy: -142.769
where: short stacking energy: -126.535
Base-Backbone interact. energy: 0.075
local terms energy: -268.362511
where:
bonds (distance) C4'-P energy: -74.352
bonds (distance) P-C4' energy: -76.794
flat angles C4'-P-C4' energy: -61.352
flat angles P-C4'-P energy: -42.941
tors. eta vs tors. theta energy: -12.923
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 181
Temperature: 1.300000
Total energy: -390.654186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -390.654186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -390.654186 (E_RNA)
where:
Base-Base interactions energy: -129.050
where: short stacking energy: -125.590
Base-Backbone interact. energy: 0.917
local terms energy: -262.521301
where:
bonds (distance) C4'-P energy: -84.614
bonds (distance) P-C4' energy: -78.462
flat angles C4'-P-C4' energy: -54.106
flat angles P-C4'-P energy: -38.684
tors. eta vs tors. theta energy: -6.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 181
Temperature: 1.350000
Total energy: -360.262926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.262926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.262926 (E_RNA)
where:
Base-Base interactions energy: -111.180
where: short stacking energy: -78.798
Base-Backbone interact. energy: 1.434
local terms energy: -250.516845
where:
bonds (distance) C4'-P energy: -58.251
bonds (distance) P-C4' energy: -89.660
flat angles C4'-P-C4' energy: -69.036
flat angles P-C4'-P energy: -45.641
tors. eta vs tors. theta energy: 12.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 182
Temperature: 0.900000
Total energy: -1221.046501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1221.046501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1221.046501 (E_RNA)
where:
Base-Base interactions energy: -747.827
where: short stacking energy: -410.753
Base-Backbone interact. energy: -2.221
local terms energy: -470.997911
where:
bonds (distance) C4'-P energy: -92.749
bonds (distance) P-C4' energy: -86.527
flat angles C4'-P-C4' energy: -105.272
flat angles P-C4'-P energy: -66.669
tors. eta vs tors. theta energy: -119.782
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: 4
=====================================
Write number: 182
Temperature: 0.950000
Total energy: -1195.748914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1195.748914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1195.748914 (E_RNA)
where:
Base-Base interactions energy: -716.554
where: short stacking energy: -439.288
Base-Backbone interact. energy: 0.211
local terms energy: -479.406442
where:
bonds (distance) C4'-P energy: -87.942
bonds (distance) P-C4' energy: -95.680
flat angles C4'-P-C4' energy: -106.437
flat angles P-C4'-P energy: -63.233
tors. eta vs tors. theta energy: -126.114
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: 182
Temperature: 1.000000
Total energy: -942.986089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -942.986089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -942.986089 (E_RNA)
where:
Base-Base interactions energy: -534.195
where: short stacking energy: -322.705
Base-Backbone interact. energy: -2.411
local terms energy: -406.380086
where:
bonds (distance) C4'-P energy: -90.991
bonds (distance) P-C4' energy: -89.248
flat angles C4'-P-C4' energy: -94.131
flat angles P-C4'-P energy: -45.764
tors. eta vs tors. theta energy: -86.245
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 182
Temperature: 1.050000
Total energy: -760.407830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -760.407830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -760.407830 (E_RNA)
where:
Base-Base interactions energy: -382.841
where: short stacking energy: -219.272
Base-Backbone interact. energy: -0.930
local terms energy: -376.637137
where:
bonds (distance) C4'-P energy: -92.685
bonds (distance) P-C4' energy: -86.236
flat angles C4'-P-C4' energy: -90.179
flat angles P-C4'-P energy: -62.231
tors. eta vs tors. theta energy: -45.306
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: 7
=====================================
Write number: 182
Temperature: 1.100000
Total energy: -669.584709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -669.584709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -669.584709 (E_RNA)
where:
Base-Base interactions energy: -308.051
where: short stacking energy: -213.975
Base-Backbone interact. energy: -3.608
local terms energy: -357.925180
where:
bonds (distance) C4'-P energy: -78.222
bonds (distance) P-C4' energy: -93.383
flat angles C4'-P-C4' energy: -86.641
flat angles P-C4'-P energy: -53.512
tors. eta vs tors. theta energy: -46.168
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 182
Temperature: 1.150000
Total energy: -522.421429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.421429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.421429 (E_RNA)
where:
Base-Base interactions energy: -202.827
where: short stacking energy: -193.606
Base-Backbone interact. energy: -0.928
local terms energy: -318.666525
where:
bonds (distance) C4'-P energy: -70.331
bonds (distance) P-C4' energy: -92.268
flat angles C4'-P-C4' energy: -69.656
flat angles P-C4'-P energy: -51.470
tors. eta vs tors. theta energy: -34.942
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: 5
=====================================
Write number: 182
Temperature: 1.200000
Total energy: -436.357933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -436.357933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -436.357933 (E_RNA)
where:
Base-Base interactions energy: -139.842
where: short stacking energy: -125.822
Base-Backbone interact. energy: 6.714
local terms energy: -303.229616
where:
bonds (distance) C4'-P energy: -78.045
bonds (distance) P-C4' energy: -91.722
flat angles C4'-P-C4' energy: -71.195
flat angles P-C4'-P energy: -61.840
tors. eta vs tors. theta energy: -0.428
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 182
Temperature: 1.250000
Total energy: -421.817951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.817951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -421.817951 (E_RNA)
where:
Base-Base interactions energy: -135.998
where: short stacking energy: -123.210
Base-Backbone interact. energy: -2.181
local terms energy: -283.638487
where:
bonds (distance) C4'-P energy: -81.328
bonds (distance) P-C4' energy: -78.396
flat angles C4'-P-C4' energy: -77.894
flat angles P-C4'-P energy: -44.423
tors. eta vs tors. theta energy: -1.598
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: 9
=====================================
Write number: 182
Temperature: 1.300000
Total energy: -388.207347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -388.207347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -388.207347 (E_RNA)
where:
Base-Base interactions energy: -149.087
where: short stacking energy: -127.507
Base-Backbone interact. energy: 0.819
local terms energy: -239.939450
where:
bonds (distance) C4'-P energy: -70.696
bonds (distance) P-C4' energy: -86.284
flat angles C4'-P-C4' energy: -56.791
flat angles P-C4'-P energy: -28.923
tors. eta vs tors. theta energy: 2.754
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 182
Temperature: 1.350000
Total energy: -336.041446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.041446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.041446 (E_RNA)
where:
Base-Base interactions energy: -114.021
where: short stacking energy: -105.930
Base-Backbone interact. energy: 8.994
local terms energy: -231.014700
where:
bonds (distance) C4'-P energy: -68.949
bonds (distance) P-C4' energy: -79.676
flat angles C4'-P-C4' energy: -46.272
flat angles P-C4'-P energy: -44.199
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: 1, replica: 1
=====================================
Write number: 183
Temperature: 0.900000
Total energy: -1236.881139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1236.881139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1236.881139 (E_RNA)
where:
Base-Base interactions energy: -756.817
where: short stacking energy: -429.438
Base-Backbone interact. energy: -5.287
local terms energy: -474.777451
where:
bonds (distance) C4'-P energy: -89.385
bonds (distance) P-C4' energy: -96.491
flat angles C4'-P-C4' energy: -105.911
flat angles P-C4'-P energy: -65.790
tors. eta vs tors. theta energy: -117.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 183
Temperature: 0.950000
Total energy: -1153.681920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1153.681920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1153.681920 (E_RNA)
where:
Base-Base interactions energy: -698.253
where: short stacking energy: -400.353
Base-Backbone interact. energy: 0.730
local terms energy: -456.159242
where:
bonds (distance) C4'-P energy: -81.926
bonds (distance) P-C4' energy: -92.586
flat angles C4'-P-C4' energy: -96.156
flat angles P-C4'-P energy: -67.551
tors. eta vs tors. theta energy: -117.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 183
Temperature: 1.000000
Total energy: -931.128892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -931.128892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -931.128892 (E_RNA)
where:
Base-Base interactions energy: -514.775
where: short stacking energy: -330.977
Base-Backbone interact. energy: -0.040
local terms energy: -416.313758
where:
bonds (distance) C4'-P energy: -85.522
bonds (distance) P-C4' energy: -93.325
flat angles C4'-P-C4' energy: -90.615
flat angles P-C4'-P energy: -64.862
tors. eta vs tors. theta energy: -81.990
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: 6
=====================================
Write number: 183
Temperature: 1.050000
Total energy: -760.968301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -760.968301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -760.968301 (E_RNA)
where:
Base-Base interactions energy: -371.631
where: short stacking energy: -242.265
Base-Backbone interact. energy: -2.699
local terms energy: -386.638427
where:
bonds (distance) C4'-P energy: -92.039
bonds (distance) P-C4' energy: -89.301
flat angles C4'-P-C4' energy: -106.742
flat angles P-C4'-P energy: -53.530
tors. eta vs tors. theta energy: -45.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 183
Temperature: 1.100000
Total energy: -701.148263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -701.148263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -701.148263 (E_RNA)
where:
Base-Base interactions energy: -342.533
where: short stacking energy: -219.737
Base-Backbone interact. energy: 5.303
local terms energy: -363.918539
where:
bonds (distance) C4'-P energy: -91.548
bonds (distance) P-C4' energy: -87.252
flat angles C4'-P-C4' energy: -94.786
flat angles P-C4'-P energy: -46.790
tors. eta vs tors. theta energy: -43.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 183
Temperature: 1.150000
Total energy: -487.364798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.364798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.364798 (E_RNA)
where:
Base-Base interactions energy: -200.907
where: short stacking energy: -166.875
Base-Backbone interact. energy: 0.893
local terms energy: -287.350959
where:
bonds (distance) C4'-P energy: -76.838
bonds (distance) P-C4' energy: -90.368
flat angles C4'-P-C4' energy: -64.941
flat angles P-C4'-P energy: -52.947
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: 7, replica: 8
=====================================
Write number: 183
Temperature: 1.200000
Total energy: -490.975225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.975225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.975225 (E_RNA)
where:
Base-Base interactions energy: -195.751
where: short stacking energy: -178.197
Base-Backbone interact. energy: 0.784
local terms energy: -296.008740
where:
bonds (distance) C4'-P energy: -80.706
bonds (distance) P-C4' energy: -90.658
flat angles C4'-P-C4' energy: -67.024
flat angles P-C4'-P energy: -31.260
tors. eta vs tors. theta energy: -26.361
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 183
Temperature: 1.250000
Total energy: -376.427683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -376.427683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -376.427683 (E_RNA)
where:
Base-Base interactions energy: -126.688
where: short stacking energy: -112.608
Base-Backbone interact. energy: -0.259
local terms energy: -249.480601
where:
bonds (distance) C4'-P energy: -84.331
bonds (distance) P-C4' energy: -84.693
flat angles C4'-P-C4' energy: -66.547
flat angles P-C4'-P energy: -37.650
tors. eta vs tors. theta energy: 23.740
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: 9, replica: 3
=====================================
Write number: 183
Temperature: 1.300000
Total energy: -385.991612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -385.991612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -385.991612 (E_RNA)
where:
Base-Base interactions energy: -154.133
where: short stacking energy: -133.787
Base-Backbone interact. energy: 1.935
local terms energy: -233.793858
where:
bonds (distance) C4'-P energy: -60.460
bonds (distance) P-C4' energy: -63.548
flat angles C4'-P-C4' energy: -75.638
flat angles P-C4'-P energy: -42.070
tors. eta vs tors. theta energy: 7.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 183
Temperature: 1.350000
Total energy: -349.170243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.170243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.170243 (E_RNA)
where:
Base-Base interactions energy: -110.957
where: short stacking energy: -97.698
Base-Backbone interact. energy: -1.194
local terms energy: -237.019739
where:
bonds (distance) C4'-P energy: -63.248
bonds (distance) P-C4' energy: -87.455
flat angles C4'-P-C4' energy: -64.778
flat angles P-C4'-P energy: -24.193
tors. eta vs tors. theta energy: 2.655
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 184
Temperature: 0.900000
Total energy: -1248.324899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1248.324899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1248.324899 (E_RNA)
where:
Base-Base interactions energy: -769.366
where: short stacking energy: -446.510
Base-Backbone interact. energy: 0.051
local terms energy: -479.009788
where:
bonds (distance) C4'-P energy: -80.210
bonds (distance) P-C4' energy: -93.241
flat angles C4'-P-C4' energy: -104.150
flat angles P-C4'-P energy: -68.461
tors. eta vs tors. theta energy: -132.947
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: 184
Temperature: 0.950000
Total energy: -1156.348290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1156.348290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1156.348290 (E_RNA)
where:
Base-Base interactions energy: -680.859
where: short stacking energy: -408.795
Base-Backbone interact. energy: -0.155
local terms energy: -475.333705
where:
bonds (distance) C4'-P energy: -98.277
bonds (distance) P-C4' energy: -89.820
flat angles C4'-P-C4' energy: -95.082
flat angles P-C4'-P energy: -73.769
tors. eta vs tors. theta energy: -118.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 184
Temperature: 1.000000
Total energy: -966.880002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -966.880002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -966.880002 (E_RNA)
where:
Base-Base interactions energy: -563.270
where: short stacking energy: -337.931
Base-Backbone interact. energy: -0.085
local terms energy: -403.524761
where:
bonds (distance) C4'-P energy: -74.048
bonds (distance) P-C4' energy: -92.311
flat angles C4'-P-C4' energy: -83.320
flat angles P-C4'-P energy: -66.053
tors. eta vs tors. theta energy: -87.794
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 184
Temperature: 1.050000
Total energy: -791.207383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -791.207383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -791.207383 (E_RNA)
where:
Base-Base interactions energy: -413.565
where: short stacking energy: -244.244
Base-Backbone interact. energy: -2.262
local terms energy: -375.380984
where:
bonds (distance) C4'-P energy: -88.498
bonds (distance) P-C4' energy: -92.395
flat angles C4'-P-C4' energy: -87.940
flat angles P-C4'-P energy: -54.321
tors. eta vs tors. theta energy: -52.227
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 184
Temperature: 1.100000
Total energy: -696.431892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -696.431892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -696.431892 (E_RNA)
where:
Base-Base interactions energy: -364.790
where: short stacking energy: -251.433
Base-Backbone interact. energy: 0.972
local terms energy: -332.613271
where:
bonds (distance) C4'-P energy: -74.235
bonds (distance) P-C4' energy: -76.430
flat angles C4'-P-C4' energy: -74.099
flat angles P-C4'-P energy: -40.615
tors. eta vs tors. theta energy: -67.233
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: 5
=====================================
Write number: 184
Temperature: 1.150000
Total energy: -532.969319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.969319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.969319 (E_RNA)
where:
Base-Base interactions energy: -217.448
where: short stacking energy: -164.080
Base-Backbone interact. energy: -2.360
local terms energy: -313.161407
where:
bonds (distance) C4'-P energy: -75.295
bonds (distance) P-C4' energy: -70.810
flat angles C4'-P-C4' energy: -91.992
flat angles P-C4'-P energy: -50.121
tors. eta vs tors. theta energy: -24.944
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 184
Temperature: 1.200000
Total energy: -476.443924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.443924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.443924 (E_RNA)
where:
Base-Base interactions energy: -179.457
where: short stacking energy: -156.832
Base-Backbone interact. energy: 1.662
local terms energy: -298.648226
where:
bonds (distance) C4'-P energy: -82.727
bonds (distance) P-C4' energy: -81.229
flat angles C4'-P-C4' energy: -76.415
flat angles P-C4'-P energy: -48.563
tors. eta vs tors. theta energy: -9.713
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: 9
=====================================
Write number: 184
Temperature: 1.250000
Total energy: -408.603558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -408.603558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -408.603558 (E_RNA)
where:
Base-Base interactions energy: -142.087
where: short stacking energy: -122.859
Base-Backbone interact. energy: -2.206
local terms energy: -264.310150
where:
bonds (distance) C4'-P energy: -81.455
bonds (distance) P-C4' energy: -67.277
flat angles C4'-P-C4' energy: -81.340
flat angles P-C4'-P energy: -41.221
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: 9, replica: 3
=====================================
Write number: 184
Temperature: 1.300000
Total energy: -365.580661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.580661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.580661 (E_RNA)
where:
Base-Base interactions energy: -100.897
where: short stacking energy: -92.583
Base-Backbone interact. energy: -0.840
local terms energy: -263.843729
where:
bonds (distance) C4'-P energy: -85.016
bonds (distance) P-C4' energy: -80.471
flat angles C4'-P-C4' energy: -67.745
flat angles P-C4'-P energy: -43.553
tors. eta vs tors. theta energy: 12.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 184
Temperature: 1.350000
Total energy: -370.648954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.648954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.648954 (E_RNA)
where:
Base-Base interactions energy: -131.376
where: short stacking energy: -111.346
Base-Backbone interact. energy: 4.318
local terms energy: -243.591065
where:
bonds (distance) C4'-P energy: -59.597
bonds (distance) P-C4' energy: -70.536
flat angles C4'-P-C4' energy: -66.433
flat angles P-C4'-P energy: -50.571
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: 1, replica: 1
=====================================
Write number: 185
Temperature: 0.900000
Total energy: -1278.677182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1278.677182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1278.677182 (E_RNA)
where:
Base-Base interactions energy: -775.251
where: short stacking energy: -428.045
Base-Backbone interact. energy: -3.315
local terms energy: -500.110887
where:
bonds (distance) C4'-P energy: -93.030
bonds (distance) P-C4' energy: -87.360
flat angles C4'-P-C4' energy: -105.075
flat angles P-C4'-P energy: -78.633
tors. eta vs tors. theta energy: -136.012
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: 4
=====================================
Write number: 185
Temperature: 0.950000
Total energy: -1086.791553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1086.791553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1086.791553 (E_RNA)
where:
Base-Base interactions energy: -622.617
where: short stacking energy: -363.448
Base-Backbone interact. energy: -1.140
local terms energy: -463.034650
where:
bonds (distance) C4'-P energy: -89.605
bonds (distance) P-C4' energy: -98.960
flat angles C4'-P-C4' energy: -99.620
flat angles P-C4'-P energy: -67.198
tors. eta vs tors. theta energy: -107.652
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: 2
=====================================
Write number: 185
Temperature: 1.000000
Total energy: -993.204429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -993.204429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -993.204429 (E_RNA)
where:
Base-Base interactions energy: -571.698
where: short stacking energy: -332.134
Base-Backbone interact. energy: -1.250
local terms energy: -420.256642
where:
bonds (distance) C4'-P energy: -85.131
bonds (distance) P-C4' energy: -87.864
flat angles C4'-P-C4' energy: -90.348
flat angles P-C4'-P energy: -59.131
tors. eta vs tors. theta energy: -97.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 185
Temperature: 1.050000
Total energy: -808.714069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -808.714069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -808.714069 (E_RNA)
where:
Base-Base interactions energy: -421.150
where: short stacking energy: -258.741
Base-Backbone interact. energy: -0.389
local terms energy: -387.174701
where:
bonds (distance) C4'-P energy: -89.542
bonds (distance) P-C4' energy: -90.914
flat angles C4'-P-C4' energy: -95.501
flat angles P-C4'-P energy: -59.647
tors. eta vs tors. theta energy: -51.570
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: 7
=====================================
Write number: 185
Temperature: 1.100000
Total energy: -694.288980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -694.288980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -694.288980 (E_RNA)
where:
Base-Base interactions energy: -353.847
where: short stacking energy: -231.271
Base-Backbone interact. energy: 0.601
local terms energy: -341.043150
where:
bonds (distance) C4'-P energy: -91.077
bonds (distance) P-C4' energy: -87.964
flat angles C4'-P-C4' energy: -74.535
flat angles P-C4'-P energy: -49.813
tors. eta vs tors. theta energy: -37.655
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 185
Temperature: 1.150000
Total energy: -480.330111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -480.330111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -480.330111 (E_RNA)
where:
Base-Base interactions energy: -172.479
where: short stacking energy: -169.699
Base-Backbone interact. energy: -0.144
local terms energy: -307.706802
where:
bonds (distance) C4'-P energy: -80.855
bonds (distance) P-C4' energy: -68.751
flat angles C4'-P-C4' energy: -92.967
flat angles P-C4'-P energy: -49.986
tors. eta vs tors. theta energy: -15.148
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 185
Temperature: 1.200000
Total energy: -453.489601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -453.489601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -453.489601 (E_RNA)
where:
Base-Base interactions energy: -155.771
where: short stacking energy: -147.416
Base-Backbone interact. energy: 8.481
local terms energy: -306.198711
where:
bonds (distance) C4'-P energy: -74.769
bonds (distance) P-C4' energy: -83.857
flat angles C4'-P-C4' energy: -75.122
flat angles P-C4'-P energy: -48.901
tors. eta vs tors. theta energy: -23.549
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 185
Temperature: 1.250000
Total energy: -397.267016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -397.267016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -397.267016 (E_RNA)
where:
Base-Base interactions energy: -126.675
where: short stacking energy: -114.708
Base-Backbone interact. energy: -1.033
local terms energy: -269.558460
where:
bonds (distance) C4'-P energy: -78.759
bonds (distance) P-C4' energy: -77.804
flat angles C4'-P-C4' energy: -75.382
flat angles P-C4'-P energy: -50.861
tors. eta vs tors. theta energy: 13.247
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: 9
=====================================
Write number: 185
Temperature: 1.300000
Total energy: -377.140148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -377.140148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -377.140148 (E_RNA)
where:
Base-Base interactions energy: -136.983
where: short stacking energy: -109.236
Base-Backbone interact. energy: -1.145
local terms energy: -239.012431
where:
bonds (distance) C4'-P energy: -74.807
bonds (distance) P-C4' energy: -82.879
flat angles C4'-P-C4' energy: -49.398
flat angles P-C4'-P energy: -37.391
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: 10, replica: 10
=====================================
Write number: 185
Temperature: 1.350000
Total energy: -356.388059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.388059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.388059 (E_RNA)
where:
Base-Base interactions energy: -97.914
where: short stacking energy: -83.417
Base-Backbone interact. energy: 0.046
local terms energy: -258.519785
where:
bonds (distance) C4'-P energy: -85.274
bonds (distance) P-C4' energy: -78.405
flat angles C4'-P-C4' energy: -69.639
flat angles P-C4'-P energy: -43.374
tors. eta vs tors. theta energy: 18.172
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 186
Temperature: 0.900000
Total energy: -1244.730243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1244.730243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1244.730243 (E_RNA)
where:
Base-Base interactions energy: -760.700
where: short stacking energy: -422.846
Base-Backbone interact. energy: -1.102
local terms energy: -482.927554
where:
bonds (distance) C4'-P energy: -95.770
bonds (distance) P-C4' energy: -100.160
flat angles C4'-P-C4' energy: -97.909
flat angles P-C4'-P energy: -69.033
tors. eta vs tors. theta energy: -120.055
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: 2, replica: 4
=====================================
Write number: 186
Temperature: 0.950000
Total energy: -1138.339920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1138.339920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1138.339920 (E_RNA)
where:
Base-Base interactions energy: -693.171
where: short stacking energy: -390.565
Base-Backbone interact. energy: -1.922
local terms energy: -443.247516
where:
bonds (distance) C4'-P energy: -71.760
bonds (distance) P-C4' energy: -91.466
flat angles C4'-P-C4' energy: -102.557
flat angles P-C4'-P energy: -65.189
tors. eta vs tors. theta energy: -112.276
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: 2
=====================================
Write number: 186
Temperature: 1.000000
Total energy: -987.445407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -987.445407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -987.445407 (E_RNA)
where:
Base-Base interactions energy: -562.552
where: short stacking energy: -337.100
Base-Backbone interact. energy: -0.797
local terms energy: -424.096474
where:
bonds (distance) C4'-P energy: -83.184
bonds (distance) P-C4' energy: -93.873
flat angles C4'-P-C4' energy: -98.597
flat angles P-C4'-P energy: -57.034
tors. eta vs tors. theta energy: -91.409
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: 6
=====================================
Write number: 186
Temperature: 1.050000
Total energy: -808.080508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -808.080508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -808.080508 (E_RNA)
where:
Base-Base interactions energy: -420.445
where: short stacking energy: -283.666
Base-Backbone interact. energy: -0.546
local terms energy: -387.088696
where:
bonds (distance) C4'-P energy: -97.011
bonds (distance) P-C4' energy: -79.327
flat angles C4'-P-C4' energy: -90.817
flat angles P-C4'-P energy: -60.664
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: 7
=====================================
Write number: 186
Temperature: 1.100000
Total energy: -721.930513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -721.930513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -721.930513 (E_RNA)
where:
Base-Base interactions energy: -375.773
where: short stacking energy: -251.502
Base-Backbone interact. energy: 6.377
local terms energy: -352.534104
where:
bonds (distance) C4'-P energy: -90.546
bonds (distance) P-C4' energy: -83.051
flat angles C4'-P-C4' energy: -83.818
flat angles P-C4'-P energy: -37.755
tors. eta vs tors. theta energy: -57.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 186
Temperature: 1.150000
Total energy: -490.652298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.652298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.652298 (E_RNA)
where:
Base-Base interactions energy: -168.669
where: short stacking energy: -168.838
Base-Backbone interact. energy: 0.223
local terms energy: -322.206516
where:
bonds (distance) C4'-P energy: -75.915
bonds (distance) P-C4' energy: -96.710
flat angles C4'-P-C4' energy: -84.057
flat angles P-C4'-P energy: -45.734
tors. eta vs tors. theta energy: -19.790
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 186
Temperature: 1.200000
Total energy: -468.169888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -468.169888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -468.169888 (E_RNA)
where:
Base-Base interactions energy: -184.431
where: short stacking energy: -172.636
Base-Backbone interact. energy: 1.081
local terms energy: -284.819639
where:
bonds (distance) C4'-P energy: -78.626
bonds (distance) P-C4' energy: -81.395
flat angles C4'-P-C4' energy: -69.415
flat angles P-C4'-P energy: -45.939
tors. eta vs tors. theta energy: -9.446
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: 3
=====================================
Write number: 186
Temperature: 1.250000
Total energy: -416.478288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.478288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.478288 (E_RNA)
where:
Base-Base interactions energy: -150.402
where: short stacking energy: -142.604
Base-Backbone interact. energy: -0.331
local terms energy: -265.745704
where:
bonds (distance) C4'-P energy: -74.763
bonds (distance) P-C4' energy: -77.703
flat angles C4'-P-C4' energy: -74.572
flat angles P-C4'-P energy: -28.330
tors. eta vs tors. theta energy: -10.378
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: 9
=====================================
Write number: 186
Temperature: 1.300000
Total energy: -363.959339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.959339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.959339 (E_RNA)
where:
Base-Base interactions energy: -104.062
where: short stacking energy: -94.063
Base-Backbone interact. energy: -1.769
local terms energy: -258.128795
where:
bonds (distance) C4'-P energy: -81.237
bonds (distance) P-C4' energy: -77.246
flat angles C4'-P-C4' energy: -63.710
flat angles P-C4'-P energy: -41.804
tors. eta vs tors. theta energy: 5.867
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 186
Temperature: 1.350000
Total energy: -366.772330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.772330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.772330 (E_RNA)
where:
Base-Base interactions energy: -128.959
where: short stacking energy: -96.666
Base-Backbone interact. energy: -2.263
local terms energy: -235.551075
where:
bonds (distance) C4'-P energy: -86.576
bonds (distance) P-C4' energy: -83.940
flat angles C4'-P-C4' energy: -58.723
flat angles P-C4'-P energy: -29.907
tors. eta vs tors. theta energy: 23.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 187
Temperature: 0.900000
Total energy: -1245.873532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1245.873532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1245.873532 (E_RNA)
where:
Base-Base interactions energy: -753.216
where: short stacking energy: -457.233
Base-Backbone interact. energy: -2.193
local terms energy: -490.464472
where:
bonds (distance) C4'-P energy: -91.443
bonds (distance) P-C4' energy: -90.841
flat angles C4'-P-C4' energy: -101.428
flat angles P-C4'-P energy: -73.786
tors. eta vs tors. theta energy: -132.968
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 187
Temperature: 0.950000
Total energy: -1135.977542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1135.977542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1135.977542 (E_RNA)
where:
Base-Base interactions energy: -675.525
where: short stacking energy: -368.802
Base-Backbone interact. energy: -0.856
local terms energy: -459.596849
where:
bonds (distance) C4'-P energy: -99.439
bonds (distance) P-C4' energy: -91.096
flat angles C4'-P-C4' energy: -101.730
flat angles P-C4'-P energy: -60.200
tors. eta vs tors. theta energy: -107.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 187
Temperature: 1.000000
Total energy: -991.019836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -991.019836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -991.019836 (E_RNA)
where:
Base-Base interactions energy: -567.348
where: short stacking energy: -333.550
Base-Backbone interact. energy: -1.477
local terms energy: -422.195247
where:
bonds (distance) C4'-P energy: -85.494
bonds (distance) P-C4' energy: -81.371
flat angles C4'-P-C4' energy: -94.619
flat angles P-C4'-P energy: -64.596
tors. eta vs tors. theta energy: -96.115
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 187
Temperature: 1.050000
Total energy: -837.446783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -837.446783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -837.446783 (E_RNA)
where:
Base-Base interactions energy: -449.487
where: short stacking energy: -291.624
Base-Backbone interact. energy: -2.094
local terms energy: -385.864982
where:
bonds (distance) C4'-P energy: -75.275
bonds (distance) P-C4' energy: -91.125
flat angles C4'-P-C4' energy: -85.898
flat angles P-C4'-P energy: -68.096
tors. eta vs tors. theta energy: -65.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 187
Temperature: 1.100000
Total energy: -671.048679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -671.048679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -671.048679 (E_RNA)
where:
Base-Base interactions energy: -364.267
where: short stacking energy: -227.907
Base-Backbone interact. energy: 0.863
local terms energy: -307.644861
where:
bonds (distance) C4'-P energy: -88.591
bonds (distance) P-C4' energy: -75.962
flat angles C4'-P-C4' energy: -74.069
flat angles P-C4'-P energy: -34.321
tors. eta vs tors. theta energy: -34.702
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 187
Temperature: 1.150000
Total energy: -480.766203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -480.766203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -480.766203 (E_RNA)
where:
Base-Base interactions energy: -191.588
where: short stacking energy: -165.021
Base-Backbone interact. energy: -1.751
local terms energy: -287.426348
where:
bonds (distance) C4'-P energy: -73.968
bonds (distance) P-C4' energy: -82.366
flat angles C4'-P-C4' energy: -66.443
flat angles P-C4'-P energy: -40.624
tors. eta vs tors. theta energy: -24.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 187
Temperature: 1.200000
Total energy: -442.022873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -442.022873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -442.022873 (E_RNA)
where:
Base-Base interactions energy: -136.092
where: short stacking energy: -119.888
Base-Backbone interact. energy: -0.846
local terms energy: -305.084904
where:
bonds (distance) C4'-P energy: -88.137
bonds (distance) P-C4' energy: -93.726
flat angles C4'-P-C4' energy: -78.724
flat angles P-C4'-P energy: -46.459
tors. eta vs tors. theta energy: 1.961
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 187
Temperature: 1.250000
Total energy: -407.668572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.668572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -407.668572 (E_RNA)
where:
Base-Base interactions energy: -152.538
where: short stacking energy: -139.890
Base-Backbone interact. energy: -0.662
local terms energy: -254.468822
where:
bonds (distance) C4'-P energy: -66.507
bonds (distance) P-C4' energy: -81.803
flat angles C4'-P-C4' energy: -51.847
flat angles P-C4'-P energy: -41.312
tors. eta vs tors. theta energy: -13.001
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: 9
=====================================
Write number: 187
Temperature: 1.300000
Total energy: -368.236031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.236031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.236031 (E_RNA)
where:
Base-Base interactions energy: -123.557
where: short stacking energy: -102.219
Base-Backbone interact. energy: -1.999
local terms energy: -242.680518
where:
bonds (distance) C4'-P energy: -75.552
bonds (distance) P-C4' energy: -85.602
flat angles C4'-P-C4' energy: -72.181
flat angles P-C4'-P energy: -25.061
tors. eta vs tors. theta energy: 15.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 187
Temperature: 1.350000
Total energy: -358.471867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.471867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.471867 (E_RNA)
where:
Base-Base interactions energy: -131.019
where: short stacking energy: -105.045
Base-Backbone interact. energy: 0.041
local terms energy: -227.494279
where:
bonds (distance) C4'-P energy: -62.115
bonds (distance) P-C4' energy: -69.195
flat angles C4'-P-C4' energy: -72.570
flat angles P-C4'-P energy: -48.574
tors. eta vs tors. theta energy: 24.959
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: 1
=====================================
Write number: 188
Temperature: 0.900000
Total energy: -1250.430435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1250.430435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1250.430435 (E_RNA)
where:
Base-Base interactions energy: -776.018
where: short stacking energy: -453.652
Base-Backbone interact. energy: -3.294
local terms energy: -471.118387
where:
bonds (distance) C4'-P energy: -98.261
bonds (distance) P-C4' energy: -90.314
flat angles C4'-P-C4' energy: -90.991
flat angles P-C4'-P energy: -62.060
tors. eta vs tors. theta energy: -129.493
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: 188
Temperature: 0.950000
Total energy: -1130.374799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1130.374799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1130.374799 (E_RNA)
where:
Base-Base interactions energy: -680.007
where: short stacking energy: -409.441
Base-Backbone interact. energy: -1.933
local terms energy: -448.435248
where:
bonds (distance) C4'-P energy: -75.397
bonds (distance) P-C4' energy: -87.567
flat angles C4'-P-C4' energy: -89.841
flat angles P-C4'-P energy: -69.490
tors. eta vs tors. theta energy: -126.140
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: 2
=====================================
Write number: 188
Temperature: 1.000000
Total energy: -1033.454104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1033.454104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1033.454104 (E_RNA)
where:
Base-Base interactions energy: -603.814
where: short stacking energy: -355.081
Base-Backbone interact. energy: -2.214
local terms energy: -427.425917
where:
bonds (distance) C4'-P energy: -87.394
bonds (distance) P-C4' energy: -88.248
flat angles C4'-P-C4' energy: -95.333
flat angles P-C4'-P energy: -57.185
tors. eta vs tors. theta energy: -99.266
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: 6
=====================================
Write number: 188
Temperature: 1.050000
Total energy: -835.613787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -835.613787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -835.613787 (E_RNA)
where:
Base-Base interactions energy: -438.507
where: short stacking energy: -289.818
Base-Backbone interact. energy: 0.842
local terms energy: -397.948214
where:
bonds (distance) C4'-P energy: -91.299
bonds (distance) P-C4' energy: -83.871
flat angles C4'-P-C4' energy: -84.233
flat angles P-C4'-P energy: -68.799
tors. eta vs tors. theta energy: -69.747
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: 7
=====================================
Write number: 188
Temperature: 1.100000
Total energy: -713.805762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -713.805762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -713.805762 (E_RNA)
where:
Base-Base interactions energy: -345.081
where: short stacking energy: -213.070
Base-Backbone interact. energy: 2.402
local terms energy: -371.126508
where:
bonds (distance) C4'-P energy: -92.770
bonds (distance) P-C4' energy: -77.474
flat angles C4'-P-C4' energy: -88.742
flat angles P-C4'-P energy: -66.330
tors. eta vs tors. theta energy: -45.810
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: 8
=====================================
Write number: 188
Temperature: 1.150000
Total energy: -529.407237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.407237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.407237 (E_RNA)
where:
Base-Base interactions energy: -210.477
where: short stacking energy: -193.896
Base-Backbone interact. energy: -1.540
local terms energy: -317.389948
where:
bonds (distance) C4'-P energy: -82.109
bonds (distance) P-C4' energy: -94.463
flat angles C4'-P-C4' energy: -53.907
flat angles P-C4'-P energy: -51.316
tors. eta vs tors. theta energy: -35.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 188
Temperature: 1.200000
Total energy: -473.986126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -473.986126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -473.986126 (E_RNA)
where:
Base-Base interactions energy: -196.575
where: short stacking energy: -176.060
Base-Backbone interact. energy: -0.980
local terms energy: -276.430336
where:
bonds (distance) C4'-P energy: -76.332
bonds (distance) P-C4' energy: -72.823
flat angles C4'-P-C4' energy: -61.383
flat angles P-C4'-P energy: -46.157
tors. eta vs tors. theta energy: -19.735
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: 3
=====================================
Write number: 188
Temperature: 1.250000
Total energy: -439.916541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -439.916541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -439.916541 (E_RNA)
where:
Base-Base interactions energy: -160.944
where: short stacking energy: -126.471
Base-Backbone interact. energy: -1.158
local terms energy: -277.814995
where:
bonds (distance) C4'-P energy: -80.589
bonds (distance) P-C4' energy: -84.738
flat angles C4'-P-C4' energy: -65.406
flat angles P-C4'-P energy: -45.644
tors. eta vs tors. theta energy: -1.439
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 188
Temperature: 1.300000
Total energy: -385.600090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -385.600090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -385.600090 (E_RNA)
where:
Base-Base interactions energy: -129.031
where: short stacking energy: -106.255
Base-Backbone interact. energy: 0.174
local terms energy: -256.743942
where:
bonds (distance) C4'-P energy: -74.292
bonds (distance) P-C4' energy: -88.427
flat angles C4'-P-C4' energy: -50.782
flat angles P-C4'-P energy: -46.805
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: 10, replica: 10
=====================================
Write number: 188
Temperature: 1.350000
Total energy: -377.864056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -377.864056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -377.864056 (E_RNA)
where:
Base-Base interactions energy: -121.209
where: short stacking energy: -97.299
Base-Backbone interact. energy: 1.150
local terms energy: -257.804754
where:
bonds (distance) C4'-P energy: -79.564
bonds (distance) P-C4' energy: -78.826
flat angles C4'-P-C4' energy: -69.238
flat angles P-C4'-P energy: -40.756
tors. eta vs tors. theta energy: 10.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 189
Temperature: 0.900000
Total energy: -1247.914876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1247.914876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1247.914876 (E_RNA)
where:
Base-Base interactions energy: -744.836
where: short stacking energy: -429.423
Base-Backbone interact. energy: -2.000
local terms energy: -501.079232
where:
bonds (distance) C4'-P energy: -95.378
bonds (distance) P-C4' energy: -100.102
flat angles C4'-P-C4' energy: -106.763
flat angles P-C4'-P energy: -66.227
tors. eta vs tors. theta energy: -132.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 189
Temperature: 0.950000
Total energy: -1140.966531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1140.966531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1140.966531 (E_RNA)
where:
Base-Base interactions energy: -685.630
where: short stacking energy: -395.332
Base-Backbone interact. energy: -2.365
local terms energy: -452.971735
where:
bonds (distance) C4'-P energy: -82.388
bonds (distance) P-C4' energy: -89.859
flat angles C4'-P-C4' energy: -104.206
flat angles P-C4'-P energy: -56.064
tors. eta vs tors. theta energy: -120.455
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: 2
=====================================
Write number: 189
Temperature: 1.000000
Total energy: -1016.438686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1016.438686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1016.438686 (E_RNA)
where:
Base-Base interactions energy: -591.286
where: short stacking energy: -338.687
Base-Backbone interact. energy: 3.496
local terms energy: -428.648324
where:
bonds (distance) C4'-P energy: -92.541
bonds (distance) P-C4' energy: -83.767
flat angles C4'-P-C4' energy: -96.761
flat angles P-C4'-P energy: -56.439
tors. eta vs tors. theta energy: -99.141
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 189
Temperature: 1.050000
Total energy: -815.146674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -815.146674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -815.146674 (E_RNA)
where:
Base-Base interactions energy: -419.843
where: short stacking energy: -267.206
Base-Backbone interact. energy: 0.466
local terms energy: -395.769710
where:
bonds (distance) C4'-P energy: -78.482
bonds (distance) P-C4' energy: -91.473
flat angles C4'-P-C4' energy: -94.035
flat angles P-C4'-P energy: -64.894
tors. eta vs tors. theta energy: -66.886
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: 5, replica: 7
=====================================
Write number: 189
Temperature: 1.100000
Total energy: -687.695185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -687.695185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -687.695185 (E_RNA)
where:
Base-Base interactions energy: -341.974
where: short stacking energy: -220.247
Base-Backbone interact. energy: -0.891
local terms energy: -344.830402
where:
bonds (distance) C4'-P energy: -80.309
bonds (distance) P-C4' energy: -93.206
flat angles C4'-P-C4' energy: -80.762
flat angles P-C4'-P energy: -51.581
tors. eta vs tors. theta energy: -38.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 189
Temperature: 1.150000
Total energy: -508.445384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -508.445384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.445384 (E_RNA)
where:
Base-Base interactions energy: -194.088
where: short stacking energy: -165.263
Base-Backbone interact. energy: -1.202
local terms energy: -313.155406
where:
bonds (distance) C4'-P energy: -81.459
bonds (distance) P-C4' energy: -79.766
flat angles C4'-P-C4' energy: -85.572
flat angles P-C4'-P energy: -49.563
tors. eta vs tors. theta energy: -16.795
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 189
Temperature: 1.200000
Total energy: -451.782338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -451.782338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -451.782338 (E_RNA)
where:
Base-Base interactions energy: -162.676
where: short stacking energy: -128.899
Base-Backbone interact. energy: -0.753
local terms energy: -288.352679
where:
bonds (distance) C4'-P energy: -82.689
bonds (distance) P-C4' energy: -81.101
flat angles C4'-P-C4' energy: -57.272
flat angles P-C4'-P energy: -61.679
tors. eta vs tors. theta energy: -5.612
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: 8, replica: 3
=====================================
Write number: 189
Temperature: 1.250000
Total energy: -401.974599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -401.974599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -401.974599 (E_RNA)
where:
Base-Base interactions energy: -133.472
where: short stacking energy: -120.780
Base-Backbone interact. energy: -3.035
local terms energy: -265.467762
where:
bonds (distance) C4'-P energy: -68.515
bonds (distance) P-C4' energy: -89.664
flat angles C4'-P-C4' energy: -65.897
flat angles P-C4'-P energy: -44.232
tors. eta vs tors. theta energy: 2.840
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: 189
Temperature: 1.300000
Total energy: -392.672019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.672019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -392.672019 (E_RNA)
where:
Base-Base interactions energy: -131.110
where: short stacking energy: -123.570
Base-Backbone interact. energy: 3.675
local terms energy: -265.237544
where:
bonds (distance) C4'-P energy: -77.679
bonds (distance) P-C4' energy: -94.492
flat angles C4'-P-C4' energy: -65.120
flat angles P-C4'-P energy: -31.981
tors. eta vs tors. theta energy: 4.035
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 189
Temperature: 1.350000
Total energy: -359.200203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.200203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.200203 (E_RNA)
where:
Base-Base interactions energy: -122.772
where: short stacking energy: -102.101
Base-Backbone interact. energy: -1.126
local terms energy: -235.302660
where:
bonds (distance) C4'-P energy: -67.942
bonds (distance) P-C4' energy: -74.478
flat angles C4'-P-C4' energy: -65.237
flat angles P-C4'-P energy: -39.194
tors. eta vs tors. theta energy: 11.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 190
Temperature: 0.900000
Total energy: -1256.296107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1256.296107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1256.296107 (E_RNA)
where:
Base-Base interactions energy: -769.640
where: short stacking energy: -450.858
Base-Backbone interact. energy: -0.268
local terms energy: -486.388556
where:
bonds (distance) C4'-P energy: -79.467
bonds (distance) P-C4' energy: -91.406
flat angles C4'-P-C4' energy: -109.582
flat angles P-C4'-P energy: -71.113
tors. eta vs tors. theta energy: -134.821
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 190
Temperature: 0.950000
Total energy: -1164.136872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1164.136872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1164.136872 (E_RNA)
where:
Base-Base interactions energy: -703.482
where: short stacking energy: -398.380
Base-Backbone interact. energy: -3.013
local terms energy: -457.641349
where:
bonds (distance) C4'-P energy: -95.525
bonds (distance) P-C4' energy: -95.206
flat angles C4'-P-C4' energy: -90.117
flat angles P-C4'-P energy: -61.313
tors. eta vs tors. theta energy: -115.480
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 190
Temperature: 1.000000
Total energy: -1043.089836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1043.089836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1043.089836 (E_RNA)
where:
Base-Base interactions energy: -599.834
where: short stacking energy: -369.430
Base-Backbone interact. energy: -1.796
local terms energy: -441.459227
where:
bonds (distance) C4'-P energy: -74.913
bonds (distance) P-C4' energy: -93.980
flat angles C4'-P-C4' energy: -98.166
flat angles P-C4'-P energy: -64.557
tors. eta vs tors. theta energy: -109.842
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: 6
=====================================
Write number: 190
Temperature: 1.050000
Total energy: -816.885631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -816.885631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -816.885631 (E_RNA)
where:
Base-Base interactions energy: -413.609
where: short stacking energy: -279.300
Base-Backbone interact. energy: 3.844
local terms energy: -407.120781
where:
bonds (distance) C4'-P energy: -91.401
bonds (distance) P-C4' energy: -90.116
flat angles C4'-P-C4' energy: -82.833
flat angles P-C4'-P energy: -65.763
tors. eta vs tors. theta energy: -77.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 190
Temperature: 1.100000
Total energy: -698.669353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -698.669353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -698.669353 (E_RNA)
where:
Base-Base interactions energy: -342.744
where: short stacking energy: -244.015
Base-Backbone interact. energy: -2.004
local terms energy: -353.922225
where:
bonds (distance) C4'-P energy: -82.820
bonds (distance) P-C4' energy: -94.367
flat angles C4'-P-C4' energy: -80.598
flat angles P-C4'-P energy: -67.825
tors. eta vs tors. theta energy: -28.312
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 190
Temperature: 1.150000
Total energy: -551.009950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.009950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.009950 (E_RNA)
where:
Base-Base interactions energy: -224.988
where: short stacking energy: -207.539
Base-Backbone interact. energy: -0.658
local terms energy: -325.363613
where:
bonds (distance) C4'-P energy: -76.140
bonds (distance) P-C4' energy: -92.406
flat angles C4'-P-C4' energy: -81.256
flat angles P-C4'-P energy: -46.400
tors. eta vs tors. theta energy: -29.162
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 190
Temperature: 1.200000
Total energy: -443.915276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -443.915276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -443.915276 (E_RNA)
where:
Base-Base interactions energy: -170.264
where: short stacking energy: -161.801
Base-Backbone interact. energy: -1.695
local terms energy: -271.955697
where:
bonds (distance) C4'-P energy: -71.939
bonds (distance) P-C4' energy: -65.987
flat angles C4'-P-C4' energy: -79.083
flat angles P-C4'-P energy: -40.381
tors. eta vs tors. theta energy: -14.566
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 190
Temperature: 1.250000
Total energy: -485.236841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.236841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -485.236841 (E_RNA)
where:
Base-Base interactions energy: -195.495
where: short stacking energy: -173.571
Base-Backbone interact. energy: -0.338
local terms energy: -289.404224
where:
bonds (distance) C4'-P energy: -78.492
bonds (distance) P-C4' energy: -86.314
flat angles C4'-P-C4' energy: -76.797
flat angles P-C4'-P energy: -28.945
tors. eta vs tors. theta energy: -18.856
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: 10
=====================================
Write number: 190
Temperature: 1.300000
Total energy: -373.557191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.557191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.557191 (E_RNA)
where:
Base-Base interactions energy: -142.285
where: short stacking energy: -118.094
Base-Backbone interact. energy: -3.495
local terms energy: -227.776882
where:
bonds (distance) C4'-P energy: -60.720
bonds (distance) P-C4' energy: -63.049
flat angles C4'-P-C4' energy: -75.643
flat angles P-C4'-P energy: -42.735
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: 10, replica: 9
=====================================
Write number: 190
Temperature: 1.350000
Total energy: -372.455556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -372.455556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -372.455556 (E_RNA)
where:
Base-Base interactions energy: -131.807
where: short stacking energy: -128.610
Base-Backbone interact. energy: 1.043
local terms energy: -241.691560
where:
bonds (distance) C4'-P energy: -65.770
bonds (distance) P-C4' energy: -84.083
flat angles C4'-P-C4' energy: -52.849
flat angles P-C4'-P energy: -33.626
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: 1, replica: 1
=====================================
Write number: 191
Temperature: 0.900000
Total energy: -1247.246402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1247.246402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1247.246402 (E_RNA)
where:
Base-Base interactions energy: -734.552
where: short stacking energy: -417.399
Base-Backbone interact. energy: -0.720
local terms energy: -511.974482
where:
bonds (distance) C4'-P energy: -100.303
bonds (distance) P-C4' energy: -104.506
flat angles C4'-P-C4' energy: -103.841
flat angles P-C4'-P energy: -71.739
tors. eta vs tors. theta energy: -131.585
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 191
Temperature: 0.950000
Total energy: -1147.018810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1147.018810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1147.018810 (E_RNA)
where:
Base-Base interactions energy: -690.219
where: short stacking energy: -387.071
Base-Backbone interact. energy: -2.006
local terms energy: -454.793553
where:
bonds (distance) C4'-P energy: -90.216
bonds (distance) P-C4' energy: -85.705
flat angles C4'-P-C4' energy: -100.674
flat angles P-C4'-P energy: -67.317
tors. eta vs tors. theta energy: -110.882
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: 2
=====================================
Write number: 191
Temperature: 1.000000
Total energy: -993.120074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -993.120074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -993.120074 (E_RNA)
where:
Base-Base interactions energy: -575.837
where: short stacking energy: -322.679
Base-Backbone interact. energy: -2.613
local terms energy: -414.669864
where:
bonds (distance) C4'-P energy: -87.155
bonds (distance) P-C4' energy: -81.886
flat angles C4'-P-C4' energy: -90.185
flat angles P-C4'-P energy: -57.889
tors. eta vs tors. theta energy: -97.554
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 191
Temperature: 1.050000
Total energy: -801.405559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -801.405559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -801.405559 (E_RNA)
where:
Base-Base interactions energy: -431.299
where: short stacking energy: -265.867
Base-Backbone interact. energy: -0.711
local terms energy: -369.395590
where:
bonds (distance) C4'-P energy: -82.130
bonds (distance) P-C4' energy: -93.269
flat angles C4'-P-C4' energy: -89.493
flat angles P-C4'-P energy: -38.562
tors. eta vs tors. theta energy: -65.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 191
Temperature: 1.100000
Total energy: -709.404725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -709.404725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -709.404725 (E_RNA)
where:
Base-Base interactions energy: -344.150
where: short stacking energy: -232.317
Base-Backbone interact. energy: -0.950
local terms energy: -364.304801
where:
bonds (distance) C4'-P energy: -76.097
bonds (distance) P-C4' energy: -88.888
flat angles C4'-P-C4' energy: -81.892
flat angles P-C4'-P energy: -56.090
tors. eta vs tors. theta energy: -61.338
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: 3
=====================================
Write number: 191
Temperature: 1.150000
Total energy: -497.116030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.116030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.116030 (E_RNA)
where:
Base-Base interactions energy: -199.550
where: short stacking energy: -179.238
Base-Backbone interact. energy: -1.562
local terms energy: -296.004286
where:
bonds (distance) C4'-P energy: -80.410
bonds (distance) P-C4' energy: -89.757
flat angles C4'-P-C4' energy: -68.175
flat angles P-C4'-P energy: -37.983
tors. eta vs tors. theta energy: -19.680
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: 7, replica: 8
=====================================
Write number: 191
Temperature: 1.200000
Total energy: -465.694374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -465.694374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -465.694374 (E_RNA)
where:
Base-Base interactions energy: -172.334
where: short stacking energy: -154.921
Base-Backbone interact. energy: -0.866
local terms energy: -292.493911
where:
bonds (distance) C4'-P energy: -70.555
bonds (distance) P-C4' energy: -91.845
flat angles C4'-P-C4' energy: -76.889
flat angles P-C4'-P energy: -40.940
tors. eta vs tors. theta energy: -12.265
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: 5
=====================================
Write number: 191
Temperature: 1.250000
Total energy: -468.135911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -468.135911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -468.135911 (E_RNA)
where:
Base-Base interactions energy: -185.268
where: short stacking energy: -140.045
Base-Backbone interact. energy: -0.917
local terms energy: -281.950572
where:
bonds (distance) C4'-P energy: -91.216
bonds (distance) P-C4' energy: -85.506
flat angles C4'-P-C4' energy: -70.951
flat angles P-C4'-P energy: -31.819
tors. eta vs tors. theta energy: -2.458
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 191
Temperature: 1.300000
Total energy: -379.821774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -379.821774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -379.821774 (E_RNA)
where:
Base-Base interactions energy: -147.686
where: short stacking energy: -134.315
Base-Backbone interact. energy: 3.261
local terms energy: -235.397521
where:
bonds (distance) C4'-P energy: -63.225
bonds (distance) P-C4' energy: -81.438
flat angles C4'-P-C4' energy: -53.544
flat angles P-C4'-P energy: -38.332
tors. eta vs tors. theta energy: 1.141
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 191
Temperature: 1.350000
Total energy: -347.297570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.297570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.297570 (E_RNA)
where:
Base-Base interactions energy: -93.349
where: short stacking energy: -83.762
Base-Backbone interact. energy: -1.273
local terms energy: -252.675167
where:
bonds (distance) C4'-P energy: -85.675
bonds (distance) P-C4' energy: -95.338
flat angles C4'-P-C4' energy: -52.794
flat angles P-C4'-P energy: -27.434
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: 1, replica: 1
=====================================
Write number: 192
Temperature: 0.900000
Total energy: -1236.950942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1236.950942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1236.950942 (E_RNA)
where:
Base-Base interactions energy: -757.717
where: short stacking energy: -422.148
Base-Backbone interact. energy: -1.543
local terms energy: -477.690222
where:
bonds (distance) C4'-P energy: -99.859
bonds (distance) P-C4' energy: -78.288
flat angles C4'-P-C4' energy: -102.891
flat angles P-C4'-P energy: -69.815
tors. eta vs tors. theta energy: -126.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 192
Temperature: 0.950000
Total energy: -1116.615876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1116.615876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1116.615876 (E_RNA)
where:
Base-Base interactions energy: -685.359
where: short stacking energy: -380.631
Base-Backbone interact. energy: 1.685
local terms energy: -432.942511
where:
bonds (distance) C4'-P energy: -81.044
bonds (distance) P-C4' energy: -86.573
flat angles C4'-P-C4' energy: -102.047
flat angles P-C4'-P energy: -61.800
tors. eta vs tors. theta energy: -101.479
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: 2
=====================================
Write number: 192
Temperature: 1.000000
Total energy: -999.665477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -999.665477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -999.665477 (E_RNA)
where:
Base-Base interactions energy: -577.699
where: short stacking energy: -332.885
Base-Backbone interact. energy: -2.021
local terms energy: -419.945403
where:
bonds (distance) C4'-P energy: -82.776
bonds (distance) P-C4' energy: -97.346
flat angles C4'-P-C4' energy: -90.551
flat angles P-C4'-P energy: -59.973
tors. eta vs tors. theta energy: -89.299
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 192
Temperature: 1.050000
Total energy: -764.698481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -764.698481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -764.698481 (E_RNA)
where:
Base-Base interactions energy: -405.735
where: short stacking energy: -257.117
Base-Backbone interact. energy: -1.490
local terms energy: -357.474443
where:
bonds (distance) C4'-P energy: -86.220
bonds (distance) P-C4' energy: -86.162
flat angles C4'-P-C4' energy: -90.816
flat angles P-C4'-P energy: -46.944
tors. eta vs tors. theta energy: -47.332
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: 7
=====================================
Write number: 192
Temperature: 1.100000
Total energy: -689.010360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -689.010360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -689.010360 (E_RNA)
where:
Base-Base interactions energy: -331.570
where: short stacking energy: -240.072
Base-Backbone interact. energy: 5.097
local terms energy: -362.537222
where:
bonds (distance) C4'-P energy: -91.145
bonds (distance) P-C4' energy: -82.131
flat angles C4'-P-C4' energy: -89.730
flat angles P-C4'-P energy: -52.613
tors. eta vs tors. theta energy: -46.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 192
Temperature: 1.150000
Total energy: -537.613630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.613630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.613630 (E_RNA)
where:
Base-Base interactions energy: -204.355
where: short stacking energy: -166.341
Base-Backbone interact. energy: 0.096
local terms energy: -333.355108
where:
bonds (distance) C4'-P energy: -79.387
bonds (distance) P-C4' energy: -92.270
flat angles C4'-P-C4' energy: -87.893
flat angles P-C4'-P energy: -47.511
tors. eta vs tors. theta energy: -26.295
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: 8
=====================================
Write number: 192
Temperature: 1.200000
Total energy: -431.783912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -431.783912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -431.783912 (E_RNA)
where:
Base-Base interactions energy: -148.249
where: short stacking energy: -135.799
Base-Backbone interact. energy: 1.650
local terms energy: -285.184904
where:
bonds (distance) C4'-P energy: -69.591
bonds (distance) P-C4' energy: -97.225
flat angles C4'-P-C4' energy: -73.055
flat angles P-C4'-P energy: -49.083
tors. eta vs tors. theta energy: 3.769
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: 5
=====================================
Write number: 192
Temperature: 1.250000
Total energy: -419.314861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.314861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.314861 (E_RNA)
where:
Base-Base interactions energy: -145.943
where: short stacking energy: -126.205
Base-Backbone interact. energy: 0.090
local terms energy: -273.461990
where:
bonds (distance) C4'-P energy: -82.906
bonds (distance) P-C4' energy: -82.585
flat angles C4'-P-C4' energy: -69.788
flat angles P-C4'-P energy: -31.064
tors. eta vs tors. theta energy: -7.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 192
Temperature: 1.300000
Total energy: -398.658784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -398.658784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -398.658784 (E_RNA)
where:
Base-Base interactions energy: -152.636
where: short stacking energy: -120.926
Base-Backbone interact. energy: 1.226
local terms energy: -247.249109
where:
bonds (distance) C4'-P energy: -64.217
bonds (distance) P-C4' energy: -76.650
flat angles C4'-P-C4' energy: -69.619
flat angles P-C4'-P energy: -47.628
tors. eta vs tors. theta energy: 10.866
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: 10
=====================================
Write number: 192
Temperature: 1.350000
Total energy: -373.629066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.629066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.629066 (E_RNA)
where:
Base-Base interactions energy: -102.701
where: short stacking energy: -89.444
Base-Backbone interact. energy: 0.804
local terms energy: -271.731256
where:
bonds (distance) C4'-P energy: -82.140
bonds (distance) P-C4' energy: -83.128
flat angles C4'-P-C4' energy: -77.041
flat angles P-C4'-P energy: -34.370
tors. eta vs tors. theta energy: 4.947
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 193
Temperature: 0.900000
Total energy: -1254.687225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1254.687225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1254.687225 (E_RNA)
where:
Base-Base interactions energy: -760.835
where: short stacking energy: -417.889
Base-Backbone interact. energy: -3.144
local terms energy: -490.707950
where:
bonds (distance) C4'-P energy: -93.204
bonds (distance) P-C4' energy: -98.361
flat angles C4'-P-C4' energy: -102.648
flat angles P-C4'-P energy: -73.404
tors. eta vs tors. theta energy: -123.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 193
Temperature: 0.950000
Total energy: -1146.996215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1146.996215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1146.996215 (E_RNA)
where:
Base-Base interactions energy: -685.483
where: short stacking energy: -394.096
Base-Backbone interact. energy: 3.158
local terms energy: -464.670727
where:
bonds (distance) C4'-P energy: -85.989
bonds (distance) P-C4' energy: -86.070
flat angles C4'-P-C4' energy: -106.561
flat angles P-C4'-P energy: -68.004
tors. eta vs tors. theta energy: -118.046
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 193
Temperature: 1.000000
Total energy: -991.243460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -991.243460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -991.243460 (E_RNA)
where:
Base-Base interactions energy: -568.611
where: short stacking energy: -361.379
Base-Backbone interact. energy: 0.965
local terms energy: -423.596809
where:
bonds (distance) C4'-P energy: -78.091
bonds (distance) P-C4' energy: -81.095
flat angles C4'-P-C4' energy: -101.546
flat angles P-C4'-P energy: -55.254
tors. eta vs tors. theta energy: -107.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 193
Temperature: 1.050000
Total energy: -787.608280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -787.608280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -787.608280 (E_RNA)
where:
Base-Base interactions energy: -425.023
where: short stacking energy: -265.728
Base-Backbone interact. energy: -2.164
local terms energy: -360.421129
where:
bonds (distance) C4'-P energy: -89.879
bonds (distance) P-C4' energy: -74.245
flat angles C4'-P-C4' energy: -82.401
flat angles P-C4'-P energy: -59.611
tors. eta vs tors. theta energy: -54.286
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 193
Temperature: 1.100000
Total energy: -680.722640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -680.722640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -680.722640 (E_RNA)
where:
Base-Base interactions energy: -323.867
where: short stacking energy: -241.272
Base-Backbone interact. energy: -1.698
local terms energy: -355.157263
where:
bonds (distance) C4'-P energy: -81.467
bonds (distance) P-C4' energy: -81.369
flat angles C4'-P-C4' energy: -93.089
flat angles P-C4'-P energy: -54.349
tors. eta vs tors. theta energy: -44.883
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: 3
=====================================
Write number: 193
Temperature: 1.150000
Total energy: -621.140026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -621.140026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -621.140026 (E_RNA)
where:
Base-Base interactions energy: -302.384
where: short stacking energy: -202.928
Base-Backbone interact. energy: 0.119
local terms energy: -318.874522
where:
bonds (distance) C4'-P energy: -67.084
bonds (distance) P-C4' energy: -82.362
flat angles C4'-P-C4' energy: -84.500
flat angles P-C4'-P energy: -51.986
tors. eta vs tors. theta energy: -32.943
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 193
Temperature: 1.200000
Total energy: -469.719827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -469.719827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -469.719827 (E_RNA)
where:
Base-Base interactions energy: -190.323
where: short stacking energy: -163.442
Base-Backbone interact. energy: -0.357
local terms energy: -279.039718
where:
bonds (distance) C4'-P energy: -70.000
bonds (distance) P-C4' energy: -84.280
flat angles C4'-P-C4' energy: -79.276
flat angles P-C4'-P energy: -36.386
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: 8, replica: 5
=====================================
Write number: 193
Temperature: 1.250000
Total energy: -436.379471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -436.379471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -436.379471 (E_RNA)
where:
Base-Base interactions energy: -174.164
where: short stacking energy: -164.150
Base-Backbone interact. energy: -1.559
local terms energy: -260.656197
where:
bonds (distance) C4'-P energy: -77.193
bonds (distance) P-C4' energy: -73.259
flat angles C4'-P-C4' energy: -80.385
flat angles P-C4'-P energy: -23.728
tors. eta vs tors. theta energy: -6.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 193
Temperature: 1.300000
Total energy: -356.044033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.044033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.044033 (E_RNA)
where:
Base-Base interactions energy: -109.658
where: short stacking energy: -102.449
Base-Backbone interact. energy: -0.203
local terms energy: -246.182689
where:
bonds (distance) C4'-P energy: -60.537
bonds (distance) P-C4' energy: -77.992
flat angles C4'-P-C4' energy: -63.229
flat angles P-C4'-P energy: -40.149
tors. eta vs tors. theta energy: -4.275
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 193
Temperature: 1.350000
Total energy: -344.699624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.699624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.699624 (E_RNA)
where:
Base-Base interactions energy: -111.715
where: short stacking energy: -104.606
Base-Backbone interact. energy: 0.676
local terms energy: -233.660728
where:
bonds (distance) C4'-P energy: -65.397
bonds (distance) P-C4' energy: -79.667
flat angles C4'-P-C4' energy: -71.620
flat angles P-C4'-P energy: -33.796
tors. eta vs tors. theta energy: 16.819
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: 1, replica: 1
=====================================
Write number: 194
Temperature: 0.900000
Total energy: -1209.984021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1209.984021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1209.984021 (E_RNA)
where:
Base-Base interactions energy: -746.828
where: short stacking energy: -434.646
Base-Backbone interact. energy: -3.764
local terms energy: -459.391383
where:
bonds (distance) C4'-P energy: -83.943
bonds (distance) P-C4' energy: -84.326
flat angles C4'-P-C4' energy: -101.947
flat angles P-C4'-P energy: -61.148
tors. eta vs tors. theta energy: -128.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 194
Temperature: 0.950000
Total energy: -1123.957143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1123.957143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1123.957143 (E_RNA)
where:
Base-Base interactions energy: -645.696
where: short stacking energy: -374.728
Base-Backbone interact. energy: -1.158
local terms energy: -477.103118
where:
bonds (distance) C4'-P energy: -93.037
bonds (distance) P-C4' energy: -95.992
flat angles C4'-P-C4' energy: -99.344
flat angles P-C4'-P energy: -71.500
tors. eta vs tors. theta energy: -117.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 194
Temperature: 1.000000
Total energy: -973.653173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -973.653173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -973.653173 (E_RNA)
where:
Base-Base interactions energy: -531.229
where: short stacking energy: -299.715
Base-Backbone interact. energy: -2.182
local terms energy: -440.242230
where:
bonds (distance) C4'-P energy: -82.707
bonds (distance) P-C4' energy: -95.882
flat angles C4'-P-C4' energy: -94.522
flat angles P-C4'-P energy: -69.531
tors. eta vs tors. theta energy: -97.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 194
Temperature: 1.050000
Total energy: -766.577618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -766.577618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -766.577618 (E_RNA)
where:
Base-Base interactions energy: -391.444
where: short stacking energy: -218.018
Base-Backbone interact. energy: -1.923
local terms energy: -373.211177
where:
bonds (distance) C4'-P energy: -80.539
bonds (distance) P-C4' energy: -93.351
flat angles C4'-P-C4' energy: -94.733
flat angles P-C4'-P energy: -55.743
tors. eta vs tors. theta energy: -48.845
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: 5, replica: 3
=====================================
Write number: 194
Temperature: 1.100000
Total energy: -712.228599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -712.228599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -712.228599 (E_RNA)
where:
Base-Base interactions energy: -338.321
where: short stacking energy: -242.664
Base-Backbone interact. energy: 0.842
local terms energy: -374.749330
where:
bonds (distance) C4'-P energy: -82.719
bonds (distance) P-C4' energy: -92.853
flat angles C4'-P-C4' energy: -90.061
flat angles P-C4'-P energy: -56.246
tors. eta vs tors. theta energy: -52.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 194
Temperature: 1.150000
Total energy: -609.985008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -609.985008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -609.985008 (E_RNA)
where:
Base-Base interactions energy: -317.416
where: short stacking energy: -202.634
Base-Backbone interact. energy: -1.202
local terms energy: -291.366913
where:
bonds (distance) C4'-P energy: -77.560
bonds (distance) P-C4' energy: -77.728
flat angles C4'-P-C4' energy: -66.222
flat angles P-C4'-P energy: -42.780
tors. eta vs tors. theta energy: -27.076
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: 5
=====================================
Write number: 194
Temperature: 1.200000
Total energy: -439.743947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -439.743947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -439.743947 (E_RNA)
where:
Base-Base interactions energy: -160.697
where: short stacking energy: -149.847
Base-Backbone interact. energy: -1.255
local terms energy: -277.791997
where:
bonds (distance) C4'-P energy: -74.550
bonds (distance) P-C4' energy: -79.706
flat angles C4'-P-C4' energy: -79.468
flat angles P-C4'-P energy: -33.890
tors. eta vs tors. theta energy: -10.178
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 194
Temperature: 1.250000
Total energy: -392.967617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.967617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -392.967617 (E_RNA)
where:
Base-Base interactions energy: -159.170
where: short stacking energy: -122.757
Base-Backbone interact. energy: 0.114
local terms energy: -233.911894
where:
bonds (distance) C4'-P energy: -74.085
bonds (distance) P-C4' energy: -75.091
flat angles C4'-P-C4' energy: -70.868
flat angles P-C4'-P energy: -35.354
tors. eta vs tors. theta energy: 21.486
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: 10
=====================================
Write number: 194
Temperature: 1.300000
Total energy: -374.987663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -374.987663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -374.987663 (E_RNA)
where:
Base-Base interactions energy: -131.420
where: short stacking energy: -119.063
Base-Backbone interact. energy: 4.632
local terms energy: -248.199585
where:
bonds (distance) C4'-P energy: -62.495
bonds (distance) P-C4' energy: -79.828
flat angles C4'-P-C4' energy: -80.033
flat angles P-C4'-P energy: -29.583
tors. eta vs tors. theta energy: 3.740
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 194
Temperature: 1.350000
Total energy: -357.655375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.655375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.655375 (E_RNA)
where:
Base-Base interactions energy: -108.475
where: short stacking energy: -104.037
Base-Backbone interact. energy: 1.005
local terms energy: -250.184739
where:
bonds (distance) C4'-P energy: -76.803
bonds (distance) P-C4' energy: -64.973
flat angles C4'-P-C4' energy: -69.952
flat angles P-C4'-P energy: -43.762
tors. eta vs tors. theta energy: 5.306
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 195
Temperature: 0.900000
Total energy: -1213.411528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1213.411528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1213.411528 (E_RNA)
where:
Base-Base interactions energy: -744.190
where: short stacking energy: -411.117
Base-Backbone interact. energy: -1.599
local terms energy: -467.622389
where:
bonds (distance) C4'-P energy: -83.032
bonds (distance) P-C4' energy: -92.167
flat angles C4'-P-C4' energy: -99.850
flat angles P-C4'-P energy: -66.168
tors. eta vs tors. theta energy: -126.407
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: 4
=====================================
Write number: 195
Temperature: 0.950000
Total energy: -1111.826809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1111.826809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1111.826809 (E_RNA)
where:
Base-Base interactions energy: -645.634
where: short stacking energy: -396.801
Base-Backbone interact. energy: 0.595
local terms energy: -466.787911
where:
bonds (distance) C4'-P energy: -81.133
bonds (distance) P-C4' energy: -91.377
flat angles C4'-P-C4' energy: -110.637
flat angles P-C4'-P energy: -68.416
tors. eta vs tors. theta energy: -115.225
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: 195
Temperature: 1.000000
Total energy: -963.541097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -963.541097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -963.541097 (E_RNA)
where:
Base-Base interactions energy: -555.677
where: short stacking energy: -327.150
Base-Backbone interact. energy: -1.434
local terms energy: -406.429738
where:
bonds (distance) C4'-P energy: -91.344
bonds (distance) P-C4' energy: -68.233
flat angles C4'-P-C4' energy: -89.408
flat angles P-C4'-P energy: -65.224
tors. eta vs tors. theta energy: -92.221
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: 4, replica: 6
=====================================
Write number: 195
Temperature: 1.050000
Total energy: -765.301924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -765.301924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -765.301924 (E_RNA)
where:
Base-Base interactions energy: -395.345
where: short stacking energy: -254.433
Base-Backbone interact. energy: 3.509
local terms energy: -373.465692
where:
bonds (distance) C4'-P energy: -81.059
bonds (distance) P-C4' energy: -98.353
flat angles C4'-P-C4' energy: -93.959
flat angles P-C4'-P energy: -55.811
tors. eta vs tors. theta energy: -44.284
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: 5, replica: 3
=====================================
Write number: 195
Temperature: 1.100000
Total energy: -693.827268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -693.827268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -693.827268 (E_RNA)
where:
Base-Base interactions energy: -350.725
where: short stacking energy: -216.293
Base-Backbone interact. energy: 2.156
local terms energy: -345.258301
where:
bonds (distance) C4'-P energy: -85.815
bonds (distance) P-C4' energy: -85.767
flat angles C4'-P-C4' energy: -78.723
flat angles P-C4'-P energy: -58.380
tors. eta vs tors. theta energy: -36.573
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: 195
Temperature: 1.150000
Total energy: -615.600854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -615.600854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -615.600854 (E_RNA)
where:
Base-Base interactions energy: -300.445
where: short stacking energy: -185.621
Base-Backbone interact. energy: -1.476
local terms energy: -313.679786
where:
bonds (distance) C4'-P energy: -83.545
bonds (distance) P-C4' energy: -89.092
flat angles C4'-P-C4' energy: -95.683
flat angles P-C4'-P energy: -24.109
tors. eta vs tors. theta energy: -21.251
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 195
Temperature: 1.200000
Total energy: -451.260533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -451.260533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -451.260533 (E_RNA)
where:
Base-Base interactions energy: -168.935
where: short stacking energy: -130.959
Base-Backbone interact. energy: -2.919
local terms energy: -279.407036
where:
bonds (distance) C4'-P energy: -76.560
bonds (distance) P-C4' energy: -77.206
flat angles C4'-P-C4' energy: -77.973
flat angles P-C4'-P energy: -38.880
tors. eta vs tors. theta energy: -8.788
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 195
Temperature: 1.250000
Total energy: -424.923309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -424.923309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -424.923309 (E_RNA)
where:
Base-Base interactions energy: -161.284
where: short stacking energy: -124.727
Base-Backbone interact. energy: -0.433
local terms energy: -263.206482
where:
bonds (distance) C4'-P energy: -74.484
bonds (distance) P-C4' energy: -86.234
flat angles C4'-P-C4' energy: -69.034
flat angles P-C4'-P energy: -40.067
tors. eta vs tors. theta energy: 6.612
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 195
Temperature: 1.300000
Total energy: -382.331477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -382.331477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -382.331477 (E_RNA)
where:
Base-Base interactions energy: -108.347
where: short stacking energy: -96.266
Base-Backbone interact. energy: 2.110
local terms energy: -276.094294
where:
bonds (distance) C4'-P energy: -86.007
bonds (distance) P-C4' energy: -81.224
flat angles C4'-P-C4' energy: -63.548
flat angles P-C4'-P energy: -47.736
tors. eta vs tors. theta energy: 2.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 195
Temperature: 1.350000
Total energy: -379.139344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -379.139344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -379.139344 (E_RNA)
where:
Base-Base interactions energy: -119.249
where: short stacking energy: -105.579
Base-Backbone interact. energy: 0.903
local terms energy: -260.793234
where:
bonds (distance) C4'-P energy: -80.953
bonds (distance) P-C4' energy: -89.209
flat angles C4'-P-C4' energy: -57.581
flat angles P-C4'-P energy: -43.638
tors. eta vs tors. theta energy: 10.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 196
Temperature: 0.900000
Total energy: -1206.302856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1206.302856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1206.302856 (E_RNA)
where:
Base-Base interactions energy: -721.212
where: short stacking energy: -412.212
Base-Backbone interact. energy: -0.206
local terms energy: -484.884349
where:
bonds (distance) C4'-P energy: -87.249
bonds (distance) P-C4' energy: -90.105
flat angles C4'-P-C4' energy: -113.922
flat angles P-C4'-P energy: -72.079
tors. eta vs tors. theta energy: -121.529
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 196
Temperature: 0.950000
Total energy: -1122.440875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1122.440875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1122.440875 (E_RNA)
where:
Base-Base interactions energy: -662.802
where: short stacking energy: -404.286
Base-Backbone interact. energy: -1.756
local terms energy: -457.882912
where:
bonds (distance) C4'-P energy: -86.183
bonds (distance) P-C4' energy: -98.052
flat angles C4'-P-C4' energy: -99.991
flat angles P-C4'-P energy: -58.202
tors. eta vs tors. theta energy: -115.455
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: 2
=====================================
Write number: 196
Temperature: 1.000000
Total energy: -994.157581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -994.157581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -994.157581 (E_RNA)
where:
Base-Base interactions energy: -559.469
where: short stacking energy: -334.699
Base-Backbone interact. energy: -2.377
local terms energy: -432.311291
where:
bonds (distance) C4'-P energy: -86.021
bonds (distance) P-C4' energy: -96.255
flat angles C4'-P-C4' energy: -96.728
flat angles P-C4'-P energy: -55.649
tors. eta vs tors. theta energy: -97.658
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 196
Temperature: 1.050000
Total energy: -842.972487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -842.972487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -842.972487 (E_RNA)
where:
Base-Base interactions energy: -443.536
where: short stacking energy: -300.467
Base-Backbone interact. energy: -0.685
local terms energy: -398.751317
where:
bonds (distance) C4'-P energy: -95.093
bonds (distance) P-C4' energy: -80.301
flat angles C4'-P-C4' energy: -89.242
flat angles P-C4'-P energy: -62.850
tors. eta vs tors. theta energy: -71.264
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 196
Temperature: 1.100000
Total energy: -707.211173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -707.211173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -707.211173 (E_RNA)
where:
Base-Base interactions energy: -364.271
where: short stacking energy: -246.622
Base-Backbone interact. energy: 0.669
local terms energy: -343.609650
where:
bonds (distance) C4'-P energy: -77.593
bonds (distance) P-C4' energy: -86.494
flat angles C4'-P-C4' energy: -87.839
flat angles P-C4'-P energy: -41.166
tors. eta vs tors. theta energy: -50.517
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: 3
=====================================
Write number: 196
Temperature: 1.150000
Total energy: -663.063651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -663.063651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -663.063651 (E_RNA)
where:
Base-Base interactions energy: -321.285
where: short stacking energy: -217.251
Base-Backbone interact. energy: 1.776
local terms energy: -343.555159
where:
bonds (distance) C4'-P energy: -89.564
bonds (distance) P-C4' energy: -85.095
flat angles C4'-P-C4' energy: -81.883
flat angles P-C4'-P energy: -51.536
tors. eta vs tors. theta energy: -35.477
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 196
Temperature: 1.200000
Total energy: -447.300198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -447.300198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -447.300198 (E_RNA)
where:
Base-Base interactions energy: -177.684
where: short stacking energy: -143.159
Base-Backbone interact. energy: 0.698
local terms energy: -270.313534
where:
bonds (distance) C4'-P energy: -92.127
bonds (distance) P-C4' energy: -82.394
flat angles C4'-P-C4' energy: -66.052
flat angles P-C4'-P energy: -26.843
tors. eta vs tors. theta energy: -2.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 196
Temperature: 1.250000
Total energy: -418.412629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.412629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.412629 (E_RNA)
where:
Base-Base interactions energy: -137.332
where: short stacking energy: -126.280
Base-Backbone interact. energy: 0.716
local terms energy: -281.796281
where:
bonds (distance) C4'-P energy: -82.025
bonds (distance) P-C4' energy: -84.376
flat angles C4'-P-C4' energy: -69.826
flat angles P-C4'-P energy: -42.174
tors. eta vs tors. theta energy: -3.396
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: 9
=====================================
Write number: 196
Temperature: 1.300000
Total energy: -367.618059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.618059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.618059 (E_RNA)
where:
Base-Base interactions energy: -104.568
where: short stacking energy: -99.312
Base-Backbone interact. energy: -1.338
local terms energy: -261.711860
where:
bonds (distance) C4'-P energy: -75.077
bonds (distance) P-C4' energy: -83.552
flat angles C4'-P-C4' energy: -77.956
flat angles P-C4'-P energy: -31.672
tors. eta vs tors. theta energy: 6.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 196
Temperature: 1.350000
Total energy: -342.558015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.558015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.558015 (E_RNA)
where:
Base-Base interactions energy: -99.172
where: short stacking energy: -90.318
Base-Backbone interact. energy: -1.709
local terms energy: -241.676661
where:
bonds (distance) C4'-P energy: -91.721
bonds (distance) P-C4' energy: -82.131
flat angles C4'-P-C4' energy: -54.269
flat angles P-C4'-P energy: -25.020
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: 1, replica: 1
=====================================
Write number: 197
Temperature: 0.900000
Total energy: -1238.987047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1238.987047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1238.987047 (E_RNA)
where:
Base-Base interactions energy: -735.571
where: short stacking energy: -423.543
Base-Backbone interact. energy: -0.205
local terms energy: -503.210740
where:
bonds (distance) C4'-P energy: -90.564
bonds (distance) P-C4' energy: -100.202
flat angles C4'-P-C4' energy: -104.565
flat angles P-C4'-P energy: -81.443
tors. eta vs tors. theta energy: -126.436
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: 2, replica: 4
=====================================
Write number: 197
Temperature: 0.950000
Total energy: -1071.321712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1071.321712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1071.321712 (E_RNA)
where:
Base-Base interactions energy: -631.622
where: short stacking energy: -365.251
Base-Backbone interact. energy: -0.091
local terms energy: -439.608576
where:
bonds (distance) C4'-P energy: -78.347
bonds (distance) P-C4' energy: -91.405
flat angles C4'-P-C4' energy: -97.145
flat angles P-C4'-P energy: -72.025
tors. eta vs tors. theta energy: -100.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 197
Temperature: 1.000000
Total energy: -957.030655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -957.030655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -957.030655 (E_RNA)
where:
Base-Base interactions energy: -535.630
where: short stacking energy: -320.438
Base-Backbone interact. energy: 0.844
local terms energy: -422.244195
where:
bonds (distance) C4'-P energy: -96.271
bonds (distance) P-C4' energy: -91.347
flat angles C4'-P-C4' energy: -91.049
flat angles P-C4'-P energy: -60.401
tors. eta vs tors. theta energy: -83.176
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: 6
=====================================
Write number: 197
Temperature: 1.050000
Total energy: -781.049955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -781.049955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -781.049955 (E_RNA)
where:
Base-Base interactions energy: -397.071
where: short stacking energy: -265.119
Base-Backbone interact. energy: -1.176
local terms energy: -382.803542
where:
bonds (distance) C4'-P energy: -87.334
bonds (distance) P-C4' energy: -93.975
flat angles C4'-P-C4' energy: -84.544
flat angles P-C4'-P energy: -58.693
tors. eta vs tors. theta energy: -58.257
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 197
Temperature: 1.100000
Total energy: -696.043766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -696.043766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -696.043766 (E_RNA)
where:
Base-Base interactions energy: -352.836
where: short stacking energy: -233.324
Base-Backbone interact. energy: -1.287
local terms energy: -341.921164
where:
bonds (distance) C4'-P energy: -73.059
bonds (distance) P-C4' energy: -83.551
flat angles C4'-P-C4' energy: -70.144
flat angles P-C4'-P energy: -59.018
tors. eta vs tors. theta energy: -56.149
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 197
Temperature: 1.150000
Total energy: -683.552209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -683.552209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -683.552209 (E_RNA)
where:
Base-Base interactions energy: -327.233
where: short stacking energy: -211.148
Base-Backbone interact. energy: -1.619
local terms energy: -354.700369
where:
bonds (distance) C4'-P energy: -98.370
bonds (distance) P-C4' energy: -89.535
flat angles C4'-P-C4' energy: -85.290
flat angles P-C4'-P energy: -46.823
tors. eta vs tors. theta energy: -34.682
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: 7, replica: 5
=====================================
Write number: 197
Temperature: 1.200000
Total energy: -471.306388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -471.306388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -471.306388 (E_RNA)
where:
Base-Base interactions energy: -173.523
where: short stacking energy: -136.866
Base-Backbone interact. energy: 0.253
local terms energy: -298.036426
where:
bonds (distance) C4'-P energy: -79.156
bonds (distance) P-C4' energy: -89.994
flat angles C4'-P-C4' energy: -80.407
flat angles P-C4'-P energy: -46.139
tors. eta vs tors. theta energy: -2.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 197
Temperature: 1.250000
Total energy: -417.151162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.151162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.151162 (E_RNA)
where:
Base-Base interactions energy: -137.135
where: short stacking energy: -132.323
Base-Backbone interact. energy: 0.051
local terms energy: -280.067328
where:
bonds (distance) C4'-P energy: -67.684
bonds (distance) P-C4' energy: -90.820
flat angles C4'-P-C4' energy: -75.917
flat angles P-C4'-P energy: -38.535
tors. eta vs tors. theta energy: -7.111
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 197
Temperature: 1.300000
Total energy: -395.536209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -395.536209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -395.536209 (E_RNA)
where:
Base-Base interactions energy: -145.533
where: short stacking energy: -125.650
Base-Backbone interact. energy: -0.496
local terms energy: -249.506611
where:
bonds (distance) C4'-P energy: -65.507
bonds (distance) P-C4' energy: -85.531
flat angles C4'-P-C4' energy: -56.984
flat angles P-C4'-P energy: -40.242
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: 10
=====================================
Write number: 197
Temperature: 1.350000
Total energy: -343.853995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.853995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.853995 (E_RNA)
where:
Base-Base interactions energy: -106.338
where: short stacking energy: -94.761
Base-Backbone interact. energy: -3.881
local terms energy: -233.634441
where:
bonds (distance) C4'-P energy: -60.887
bonds (distance) P-C4' energy: -76.136
flat angles C4'-P-C4' energy: -83.269
flat angles P-C4'-P energy: -22.964
tors. eta vs tors. theta energy: 9.621
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 198
Temperature: 0.900000
Total energy: -1197.574905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1197.574905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1197.574905 (E_RNA)
where:
Base-Base interactions energy: -718.802
where: short stacking energy: -397.177
Base-Backbone interact. energy: -2.049
local terms energy: -476.724164
where:
bonds (distance) C4'-P energy: -87.683
bonds (distance) P-C4' energy: -93.912
flat angles C4'-P-C4' energy: -99.716
flat angles P-C4'-P energy: -72.408
tors. eta vs tors. theta energy: -123.005
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: 4
=====================================
Write number: 198
Temperature: 0.950000
Total energy: -1138.430416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1138.430416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1138.430416 (E_RNA)
where:
Base-Base interactions energy: -675.895
where: short stacking energy: -410.731
Base-Backbone interact. energy: -0.937
local terms energy: -461.598188
where:
bonds (distance) C4'-P energy: -89.480
bonds (distance) P-C4' energy: -94.266
flat angles C4'-P-C4' energy: -95.010
flat angles P-C4'-P energy: -66.440
tors. eta vs tors. theta energy: -116.402
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: 2
=====================================
Write number: 198
Temperature: 1.000000
Total energy: -950.580663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -950.580663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -950.580663 (E_RNA)
where:
Base-Base interactions energy: -548.188
where: short stacking energy: -338.884
Base-Backbone interact. energy: 0.992
local terms energy: -403.384385
where:
bonds (distance) C4'-P energy: -80.945
bonds (distance) P-C4' energy: -84.475
flat angles C4'-P-C4' energy: -96.133
flat angles P-C4'-P energy: -55.551
tors. eta vs tors. theta energy: -86.280
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: 198
Temperature: 1.050000
Total energy: -782.809860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -782.809860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -782.809860 (E_RNA)
where:
Base-Base interactions energy: -429.189
where: short stacking energy: -289.245
Base-Backbone interact. energy: -0.509
local terms energy: -353.111866
where:
bonds (distance) C4'-P energy: -73.296
bonds (distance) P-C4' energy: -82.526
flat angles C4'-P-C4' energy: -88.148
flat angles P-C4'-P energy: -49.244
tors. eta vs tors. theta energy: -59.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 198
Temperature: 1.100000
Total energy: -681.317630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -681.317630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -681.317630 (E_RNA)
where:
Base-Base interactions energy: -344.758
where: short stacking energy: -223.989
Base-Backbone interact. energy: -0.738
local terms energy: -335.822260
where:
bonds (distance) C4'-P energy: -73.541
bonds (distance) P-C4' energy: -97.647
flat angles C4'-P-C4' energy: -87.081
flat angles P-C4'-P energy: -51.177
tors. eta vs tors. theta energy: -26.376
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: 6, replica: 3
=====================================
Write number: 198
Temperature: 1.150000
Total energy: -642.744366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -642.744366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -642.744366 (E_RNA)
where:
Base-Base interactions energy: -307.647
where: short stacking energy: -202.051
Base-Backbone interact. energy: 0.192
local terms energy: -335.289081
where:
bonds (distance) C4'-P energy: -80.794
bonds (distance) P-C4' energy: -99.785
flat angles C4'-P-C4' energy: -74.922
flat angles P-C4'-P energy: -49.001
tors. eta vs tors. theta energy: -30.788
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 198
Temperature: 1.200000
Total energy: -446.032646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -446.032646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -446.032646 (E_RNA)
where:
Base-Base interactions energy: -155.967
where: short stacking energy: -141.922
Base-Backbone interact. energy: -0.581
local terms energy: -289.484738
where:
bonds (distance) C4'-P energy: -80.010
bonds (distance) P-C4' energy: -89.368
flat angles C4'-P-C4' energy: -68.685
flat angles P-C4'-P energy: -35.046
tors. eta vs tors. theta energy: -16.375
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: 8, replica: 8
=====================================
Write number: 198
Temperature: 1.250000
Total energy: -434.062501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -434.062501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -434.062501 (E_RNA)
where:
Base-Base interactions energy: -136.000
where: short stacking energy: -113.005
Base-Backbone interact. energy: 0.173
local terms energy: -298.235008
where:
bonds (distance) C4'-P energy: -79.750
bonds (distance) P-C4' energy: -90.175
flat angles C4'-P-C4' energy: -78.309
flat angles P-C4'-P energy: -53.840
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: 9, replica: 10
=====================================
Write number: 198
Temperature: 1.300000
Total energy: -391.303422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.303422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -391.303422 (E_RNA)
where:
Base-Base interactions energy: -136.196
where: short stacking energy: -124.111
Base-Backbone interact. energy: 0.094
local terms energy: -255.201184
where:
bonds (distance) C4'-P energy: -87.708
bonds (distance) P-C4' energy: -87.734
flat angles C4'-P-C4' energy: -63.120
flat angles P-C4'-P energy: -29.505
tors. eta vs tors. theta energy: 12.866
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: 9
=====================================
Write number: 198
Temperature: 1.350000
Total energy: -339.421370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.421370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.421370 (E_RNA)
where:
Base-Base interactions energy: -103.824
where: short stacking energy: -101.687
Base-Backbone interact. energy: 2.973
local terms energy: -238.569873
where:
bonds (distance) C4'-P energy: -68.716
bonds (distance) P-C4' energy: -85.772
flat angles C4'-P-C4' energy: -64.164
flat angles P-C4'-P energy: -27.579
tors. eta vs tors. theta energy: 7.662
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 199
Temperature: 0.900000
Total energy: -1226.518250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1226.518250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1226.518250 (E_RNA)
where:
Base-Base interactions energy: -751.678
where: short stacking energy: -414.150
Base-Backbone interact. energy: -0.875
local terms energy: -473.965189
where:
bonds (distance) C4'-P energy: -86.901
bonds (distance) P-C4' energy: -98.887
flat angles C4'-P-C4' energy: -102.841
flat angles P-C4'-P energy: -63.404
tors. eta vs tors. theta energy: -121.933
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 199
Temperature: 0.950000
Total energy: -1104.247187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1104.247187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1104.247187 (E_RNA)
where:
Base-Base interactions energy: -663.964
where: short stacking energy: -392.143
Base-Backbone interact. energy: -0.404
local terms energy: -439.878931
where:
bonds (distance) C4'-P energy: -89.528
bonds (distance) P-C4' energy: -89.517
flat angles C4'-P-C4' energy: -90.855
flat angles P-C4'-P energy: -49.345
tors. eta vs tors. theta energy: -120.634
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 199
Temperature: 1.000000
Total energy: -941.087628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -941.087628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -941.087628 (E_RNA)
where:
Base-Base interactions energy: -522.179
where: short stacking energy: -327.580
Base-Backbone interact. energy: -3.445
local terms energy: -415.463363
where:
bonds (distance) C4'-P energy: -79.443
bonds (distance) P-C4' energy: -92.364
flat angles C4'-P-C4' energy: -93.095
flat angles P-C4'-P energy: -64.534
tors. eta vs tors. theta energy: -86.028
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: 6
=====================================
Write number: 199
Temperature: 1.050000
Total energy: -804.214642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -804.214642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -804.214642 (E_RNA)
where:
Base-Base interactions energy: -438.672
where: short stacking energy: -268.059
Base-Backbone interact. energy: 7.111
local terms energy: -372.653681
where:
bonds (distance) C4'-P energy: -82.380
bonds (distance) P-C4' energy: -95.244
flat angles C4'-P-C4' energy: -82.947
flat angles P-C4'-P energy: -50.066
tors. eta vs tors. theta energy: -62.017
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: 5, replica: 7
=====================================
Write number: 199
Temperature: 1.100000
Total energy: -688.328165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -688.328165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -688.328165 (E_RNA)
where:
Base-Base interactions energy: -319.089
where: short stacking energy: -206.085
Base-Backbone interact. energy: 0.422
local terms energy: -369.661281
where:
bonds (distance) C4'-P energy: -92.159
bonds (distance) P-C4' energy: -76.351
flat angles C4'-P-C4' energy: -93.210
flat angles P-C4'-P energy: -66.074
tors. eta vs tors. theta energy: -41.866
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 199
Temperature: 1.150000
Total energy: -674.467061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -674.467061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -674.467061 (E_RNA)
where:
Base-Base interactions energy: -346.431
where: short stacking energy: -226.558
Base-Backbone interact. energy: -0.871
local terms energy: -327.164679
where:
bonds (distance) C4'-P energy: -67.823
bonds (distance) P-C4' energy: -84.556
flat angles C4'-P-C4' energy: -72.155
flat angles P-C4'-P energy: -57.332
tors. eta vs tors. theta energy: -45.298
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: 5
=====================================
Write number: 199
Temperature: 1.200000
Total energy: -465.844042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -465.844042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -465.844042 (E_RNA)
where:
Base-Base interactions energy: -172.174
where: short stacking energy: -153.988
Base-Backbone interact. energy: -0.748
local terms energy: -292.921955
where:
bonds (distance) C4'-P energy: -88.522
bonds (distance) P-C4' energy: -68.935
flat angles C4'-P-C4' energy: -83.495
flat angles P-C4'-P energy: -45.674
tors. eta vs tors. theta energy: -6.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 199
Temperature: 1.250000
Total energy: -439.349325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -439.349325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -439.349325 (E_RNA)
where:
Base-Base interactions energy: -157.667
where: short stacking energy: -123.211
Base-Backbone interact. energy: 0.228
local terms energy: -281.910778
where:
bonds (distance) C4'-P energy: -87.239
bonds (distance) P-C4' energy: -78.819
flat angles C4'-P-C4' energy: -81.681
flat angles P-C4'-P energy: -35.992
tors. eta vs tors. theta energy: 1.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 199
Temperature: 1.300000
Total energy: -373.405728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.405728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.405728 (E_RNA)
where:
Base-Base interactions energy: -116.920
where: short stacking energy: -95.488
Base-Backbone interact. energy: 3.186
local terms energy: -259.671962
where:
bonds (distance) C4'-P energy: -75.452
bonds (distance) P-C4' energy: -83.008
flat angles C4'-P-C4' energy: -79.105
flat angles P-C4'-P energy: -40.688
tors. eta vs tors. theta energy: 18.581
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 199
Temperature: 1.350000
Total energy: -368.888770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.888770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.888770 (E_RNA)
where:
Base-Base interactions energy: -111.056
where: short stacking energy: -109.509
Base-Backbone interact. energy: 0.508
local terms energy: -258.340622
where:
bonds (distance) C4'-P energy: -86.334
bonds (distance) P-C4' energy: -71.717
flat angles C4'-P-C4' energy: -60.391
flat angles P-C4'-P energy: -39.579
tors. eta vs tors. theta energy: -0.321
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 200
Temperature: 0.900000
Total energy: -1250.283396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1250.283396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1250.283396 (E_RNA)
where:
Base-Base interactions energy: -770.209
where: short stacking energy: -424.842
Base-Backbone interact. energy: -1.890
local terms energy: -478.184366
where:
bonds (distance) C4'-P energy: -101.870
bonds (distance) P-C4' energy: -90.389
flat angles C4'-P-C4' energy: -102.240
flat angles P-C4'-P energy: -59.017
tors. eta vs tors. theta energy: -124.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 200
Temperature: 0.950000
Total energy: -1123.006852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1123.006852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1123.006852 (E_RNA)
where:
Base-Base interactions energy: -666.794
where: short stacking energy: -395.166
Base-Backbone interact. energy: -1.135
local terms energy: -455.078569
where:
bonds (distance) C4'-P energy: -96.692
bonds (distance) P-C4' energy: -90.249
flat angles C4'-P-C4' energy: -99.368
flat angles P-C4'-P energy: -50.126
tors. eta vs tors. theta energy: -118.643
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: 2
=====================================
Write number: 200
Temperature: 1.000000
Total energy: -975.584560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -975.584560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -975.584560 (E_RNA)
where:
Base-Base interactions energy: -537.121
where: short stacking energy: -335.838
Base-Backbone interact. energy: -1.947
local terms energy: -436.516412
where:
bonds (distance) C4'-P energy: -87.404
bonds (distance) P-C4' energy: -104.419
flat angles C4'-P-C4' energy: -92.757
flat angles P-C4'-P energy: -55.371
tors. eta vs tors. theta energy: -96.565
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: 6
=====================================
Write number: 200
Temperature: 1.050000
Total energy: -794.771726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -794.771726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -794.771726 (E_RNA)
where:
Base-Base interactions energy: -414.191
where: short stacking energy: -276.385
Base-Backbone interact. energy: 0.972
local terms energy: -381.553368
where:
bonds (distance) C4'-P energy: -77.678
bonds (distance) P-C4' energy: -84.206
flat angles C4'-P-C4' energy: -100.236
flat angles P-C4'-P energy: -55.540
tors. eta vs tors. theta energy: -63.893
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: 7
=====================================
Write number: 200
Temperature: 1.100000
Total energy: -697.530270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -697.530270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -697.530270 (E_RNA)
where:
Base-Base interactions energy: -339.290
where: short stacking energy: -213.307
Base-Backbone interact. energy: -1.153
local terms energy: -357.086506
where:
bonds (distance) C4'-P energy: -91.857
bonds (distance) P-C4' energy: -78.955
flat angles C4'-P-C4' energy: -88.857
flat angles P-C4'-P energy: -51.147
tors. eta vs tors. theta energy: -46.270
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 200
Temperature: 1.150000
Total energy: -610.260783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -610.260783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -610.260783 (E_RNA)
where:
Base-Base interactions energy: -272.753
where: short stacking energy: -191.839
Base-Backbone interact. energy: -2.550
local terms energy: -334.957474
where:
bonds (distance) C4'-P energy: -82.891
bonds (distance) P-C4' energy: -75.919
flat angles C4'-P-C4' energy: -86.865
flat angles P-C4'-P energy: -57.439
tors. eta vs tors. theta energy: -31.842
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: 8
=====================================
Write number: 200
Temperature: 1.200000
Total energy: -466.140942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -466.140942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -466.140942 (E_RNA)
where:
Base-Base interactions energy: -178.135
where: short stacking energy: -133.639
Base-Backbone interact. energy: -2.559
local terms energy: -285.446987
where:
bonds (distance) C4'-P energy: -90.286
bonds (distance) P-C4' energy: -80.761
flat angles C4'-P-C4' energy: -58.313
flat angles P-C4'-P energy: -54.292
tors. eta vs tors. theta energy: -1.795
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 200
Temperature: 1.250000
Total energy: -456.366039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -456.366039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -456.366039 (E_RNA)
where:
Base-Base interactions energy: -179.514
where: short stacking energy: -123.832
Base-Backbone interact. energy: -0.121
local terms energy: -276.731058
where:
bonds (distance) C4'-P energy: -74.483
bonds (distance) P-C4' energy: -80.266
flat angles C4'-P-C4' energy: -84.790
flat angles P-C4'-P energy: -34.177
tors. eta vs tors. theta energy: -3.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 200
Temperature: 1.300000
Total energy: -359.367463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.367463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.367463 (E_RNA)
where:
Base-Base interactions energy: -103.784
where: short stacking energy: -86.781
Base-Backbone interact. energy: 0.342
local terms energy: -255.924999
where:
bonds (distance) C4'-P energy: -79.014
bonds (distance) P-C4' energy: -87.111
flat angles C4'-P-C4' energy: -71.622
flat angles P-C4'-P energy: -38.823
tors. eta vs tors. theta energy: 20.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 200
Temperature: 1.350000
Total energy: -342.148782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.148782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.148782 (E_RNA)
where:
Base-Base interactions energy: -101.942
where: short stacking energy: -97.314
Base-Backbone interact. energy: 1.424
local terms energy: -241.631085
where:
bonds (distance) C4'-P energy: -82.993
bonds (distance) P-C4' energy: -77.966
flat angles C4'-P-C4' energy: -71.919
flat angles P-C4'-P energy: -23.427
tors. eta vs tors. theta energy: 14.675
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 201
Temperature: 0.900000
Total energy: -1223.775378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1223.775378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1223.775378 (E_RNA)
where:
Base-Base interactions energy: -761.835
where: short stacking energy: -420.374
Base-Backbone interact. energy: 0.619
local terms energy: -462.559583
where:
bonds (distance) C4'-P energy: -90.340
bonds (distance) P-C4' energy: -89.541
flat angles C4'-P-C4' energy: -103.326
flat angles P-C4'-P energy: -62.818
tors. eta vs tors. theta energy: -116.536
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 201
Temperature: 0.950000
Total energy: -1104.649595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1104.649595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1104.649595 (E_RNA)
where:
Base-Base interactions energy: -650.413
where: short stacking energy: -377.269
Base-Backbone interact. energy: -1.418
local terms energy: -452.818838
where:
bonds (distance) C4'-P energy: -80.944
bonds (distance) P-C4' energy: -94.240
flat angles C4'-P-C4' energy: -109.876
flat angles P-C4'-P energy: -56.387
tors. eta vs tors. theta energy: -111.372
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: 201
Temperature: 1.000000
Total energy: -940.242743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -940.242743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -940.242743 (E_RNA)
where:
Base-Base interactions energy: -527.086
where: short stacking energy: -324.350
Base-Backbone interact. energy: 1.655
local terms energy: -414.812440
where:
bonds (distance) C4'-P energy: -86.518
bonds (distance) P-C4' energy: -89.498
flat angles C4'-P-C4' energy: -95.689
flat angles P-C4'-P energy: -59.931
tors. eta vs tors. theta energy: -83.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 201
Temperature: 1.050000
Total energy: -776.973774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -776.973774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -776.973774 (E_RNA)
where:
Base-Base interactions energy: -375.115
where: short stacking energy: -243.759
Base-Backbone interact. energy: -3.051
local terms energy: -398.807555
where:
bonds (distance) C4'-P energy: -81.562
bonds (distance) P-C4' energy: -106.560
flat angles C4'-P-C4' energy: -88.021
flat angles P-C4'-P energy: -50.175
tors. eta vs tors. theta energy: -72.490
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: 7
=====================================
Write number: 201
Temperature: 1.100000
Total energy: -772.661290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -772.661290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -772.661290 (E_RNA)
where:
Base-Base interactions energy: -408.589
where: short stacking energy: -264.499
Base-Backbone interact. energy: 3.995
local terms energy: -368.066965
where:
bonds (distance) C4'-P energy: -73.269
bonds (distance) P-C4' energy: -89.998
flat angles C4'-P-C4' energy: -92.948
flat angles P-C4'-P energy: -53.705
tors. eta vs tors. theta energy: -58.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 201
Temperature: 1.150000
Total energy: -666.285663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -666.285663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -666.285663 (E_RNA)
where:
Base-Base interactions energy: -319.319
where: short stacking energy: -207.861
Base-Backbone interact. energy: 1.866
local terms energy: -348.832695
where:
bonds (distance) C4'-P energy: -86.064
bonds (distance) P-C4' energy: -86.468
flat angles C4'-P-C4' energy: -77.318
flat angles P-C4'-P energy: -54.281
tors. eta vs tors. theta energy: -44.702
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 201
Temperature: 1.200000
Total energy: -480.631590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -480.631590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -480.631590 (E_RNA)
where:
Base-Base interactions energy: -182.795
where: short stacking energy: -158.669
Base-Backbone interact. energy: 1.136
local terms energy: -298.972618
where:
bonds (distance) C4'-P energy: -78.033
bonds (distance) P-C4' energy: -84.910
flat angles C4'-P-C4' energy: -80.309
flat angles P-C4'-P energy: -43.791
tors. eta vs tors. theta energy: -11.929
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 201
Temperature: 1.250000
Total energy: -417.154045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.154045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.154045 (E_RNA)
where:
Base-Base interactions energy: -141.809
where: short stacking energy: -115.823
Base-Backbone interact. energy: -1.317
local terms energy: -274.028427
where:
bonds (distance) C4'-P energy: -67.092
bonds (distance) P-C4' energy: -88.632
flat angles C4'-P-C4' energy: -66.927
flat angles P-C4'-P energy: -40.726
tors. eta vs tors. theta energy: -10.653
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: 9
=====================================
Write number: 201
Temperature: 1.300000
Total energy: -400.984569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -400.984569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -400.984569 (E_RNA)
where:
Base-Base interactions energy: -162.932
where: short stacking energy: -132.437
Base-Backbone interact. energy: 4.854
local terms energy: -242.906474
where:
bonds (distance) C4'-P energy: -76.142
bonds (distance) P-C4' energy: -87.380
flat angles C4'-P-C4' energy: -42.881
flat angles P-C4'-P energy: -43.184
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: 10, replica: 10
=====================================
Write number: 201
Temperature: 1.350000
Total energy: -345.892981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.892981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.892981 (E_RNA)
where:
Base-Base interactions energy: -109.109
where: short stacking energy: -105.533
Base-Backbone interact. energy: -0.782
local terms energy: -236.001687
where:
bonds (distance) C4'-P energy: -72.986
bonds (distance) P-C4' energy: -82.774
flat angles C4'-P-C4' energy: -73.388
flat angles P-C4'-P energy: -22.645
tors. eta vs tors. theta energy: 15.792
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: 1, replica: 1
=====================================
Write number: 202
Temperature: 0.900000
Total energy: -1211.981482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1211.981482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1211.981482 (E_RNA)
where:
Base-Base interactions energy: -715.868
where: short stacking energy: -407.288
Base-Backbone interact. energy: -1.736
local terms energy: -494.377457
where:
bonds (distance) C4'-P energy: -95.902
bonds (distance) P-C4' energy: -102.001
flat angles C4'-P-C4' energy: -108.666
flat angles P-C4'-P energy: -69.970
tors. eta vs tors. theta energy: -117.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 202
Temperature: 0.950000
Total energy: -1089.812815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1089.812815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1089.812815 (E_RNA)
where:
Base-Base interactions energy: -612.836
where: short stacking energy: -365.408
Base-Backbone interact. energy: -0.586
local terms energy: -476.390459
where:
bonds (distance) C4'-P energy: -98.176
bonds (distance) P-C4' energy: -87.336
flat angles C4'-P-C4' energy: -109.829
flat angles P-C4'-P energy: -68.952
tors. eta vs tors. theta energy: -112.097
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 202
Temperature: 1.000000
Total energy: -925.868278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -925.868278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -925.868278 (E_RNA)
where:
Base-Base interactions energy: -519.805
where: short stacking energy: -312.706
Base-Backbone interact. energy: -0.187
local terms energy: -405.876098
where:
bonds (distance) C4'-P energy: -92.272
bonds (distance) P-C4' energy: -80.129
flat angles C4'-P-C4' energy: -92.461
flat angles P-C4'-P energy: -60.418
tors. eta vs tors. theta energy: -80.596
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 202
Temperature: 1.050000
Total energy: -777.113033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -777.113033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -777.113033 (E_RNA)
where:
Base-Base interactions energy: -413.803
where: short stacking energy: -240.503
Base-Backbone interact. energy: 1.827
local terms energy: -365.137180
where:
bonds (distance) C4'-P energy: -82.564
bonds (distance) P-C4' energy: -81.747
flat angles C4'-P-C4' energy: -88.655
flat angles P-C4'-P energy: -47.213
tors. eta vs tors. theta energy: -64.958
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 202
Temperature: 1.100000
Total energy: -726.828691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -726.828691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -726.828691 (E_RNA)
where:
Base-Base interactions energy: -363.471
where: short stacking energy: -239.076
Base-Backbone interact. energy: -1.071
local terms energy: -362.286837
where:
bonds (distance) C4'-P energy: -82.566
bonds (distance) P-C4' energy: -90.131
flat angles C4'-P-C4' energy: -81.840
flat angles P-C4'-P energy: -53.781
tors. eta vs tors. theta energy: -53.969
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: 3
=====================================
Write number: 202
Temperature: 1.150000
Total energy: -655.607652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -655.607652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -655.607652 (E_RNA)
where:
Base-Base interactions energy: -332.049
where: short stacking energy: -236.842
Base-Backbone interact. energy: 1.821
local terms energy: -325.379809
where:
bonds (distance) C4'-P energy: -78.063
bonds (distance) P-C4' energy: -76.791
flat angles C4'-P-C4' energy: -87.406
flat angles P-C4'-P energy: -43.568
tors. eta vs tors. theta energy: -39.552
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: 8
=====================================
Write number: 202
Temperature: 1.200000
Total energy: -519.622590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.622590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.622590 (E_RNA)
where:
Base-Base interactions energy: -237.084
where: short stacking energy: -167.045
Base-Backbone interact. energy: -0.920
local terms energy: -281.618752
where:
bonds (distance) C4'-P energy: -76.418
bonds (distance) P-C4' energy: -77.262
flat angles C4'-P-C4' energy: -80.718
flat angles P-C4'-P energy: -43.769
tors. eta vs tors. theta energy: -3.452
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 202
Temperature: 1.250000
Total energy: -423.977970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -423.977970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -423.977970 (E_RNA)
where:
Base-Base interactions energy: -149.075
where: short stacking energy: -139.633
Base-Backbone interact. energy: 0.764
local terms energy: -275.666761
where:
bonds (distance) C4'-P energy: -78.391
bonds (distance) P-C4' energy: -60.148
flat angles C4'-P-C4' energy: -74.580
flat angles P-C4'-P energy: -55.664
tors. eta vs tors. theta energy: -6.883
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 202
Temperature: 1.300000
Total energy: -372.715799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -372.715799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -372.715799 (E_RNA)
where:
Base-Base interactions energy: -113.381
where: short stacking energy: -92.187
Base-Backbone interact. energy: 3.298
local terms energy: -262.633293
where:
bonds (distance) C4'-P energy: -91.898
bonds (distance) P-C4' energy: -80.686
flat angles C4'-P-C4' energy: -74.002
flat angles P-C4'-P energy: -41.850
tors. eta vs tors. theta energy: 25.803
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 202
Temperature: 1.350000
Total energy: -367.972585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.972585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.972585 (E_RNA)
where:
Base-Base interactions energy: -101.075
where: short stacking energy: -95.752
Base-Backbone interact. energy: 0.752
local terms energy: -267.649512
where:
bonds (distance) C4'-P energy: -76.354
bonds (distance) P-C4' energy: -85.585
flat angles C4'-P-C4' energy: -67.038
flat angles P-C4'-P energy: -40.799
tors. eta vs tors. theta energy: 2.127
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: 1
=====================================
Write number: 203
Temperature: 0.900000
Total energy: -1220.149554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1220.149554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1220.149554 (E_RNA)
where:
Base-Base interactions energy: -714.364
where: short stacking energy: -413.053
Base-Backbone interact. energy: -2.007
local terms energy: -503.778252
where:
bonds (distance) C4'-P energy: -97.253
bonds (distance) P-C4' energy: -92.643
flat angles C4'-P-C4' energy: -110.033
flat angles P-C4'-P energy: -80.223
tors. eta vs tors. theta energy: -123.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 203
Temperature: 0.950000
Total energy: -1087.971888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1087.971888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1087.971888 (E_RNA)
where:
Base-Base interactions energy: -636.989
where: short stacking energy: -386.274
Base-Backbone interact. energy: -1.706
local terms energy: -449.276317
where:
bonds (distance) C4'-P energy: -90.931
bonds (distance) P-C4' energy: -80.177
flat angles C4'-P-C4' energy: -99.281
flat angles P-C4'-P energy: -72.326
tors. eta vs tors. theta energy: -106.561
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 203
Temperature: 1.000000
Total energy: -958.259224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -958.259224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -958.259224 (E_RNA)
where:
Base-Base interactions energy: -547.156
where: short stacking energy: -317.568
Base-Backbone interact. energy: -2.158
local terms energy: -408.945379
where:
bonds (distance) C4'-P energy: -85.656
bonds (distance) P-C4' energy: -85.277
flat angles C4'-P-C4' energy: -78.552
flat angles P-C4'-P energy: -70.689
tors. eta vs tors. theta energy: -88.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 203
Temperature: 1.050000
Total energy: -773.831732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -773.831732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -773.831732 (E_RNA)
where:
Base-Base interactions energy: -414.548
where: short stacking energy: -270.455
Base-Backbone interact. energy: -1.770
local terms energy: -357.513631
where:
bonds (distance) C4'-P energy: -97.321
bonds (distance) P-C4' energy: -83.788
flat angles C4'-P-C4' energy: -71.761
flat angles P-C4'-P energy: -45.827
tors. eta vs tors. theta energy: -58.816
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: 7
=====================================
Write number: 203
Temperature: 1.100000
Total energy: -682.508997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -682.508997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -682.508997 (E_RNA)
where:
Base-Base interactions energy: -343.947
where: short stacking energy: -218.454
Base-Backbone interact. energy: -3.198
local terms energy: -335.363762
where:
bonds (distance) C4'-P energy: -73.448
bonds (distance) P-C4' energy: -90.094
flat angles C4'-P-C4' energy: -77.073
flat angles P-C4'-P energy: -56.163
tors. eta vs tors. theta energy: -38.586
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 203
Temperature: 1.150000
Total energy: -627.031145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -627.031145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -627.031145 (E_RNA)
where:
Base-Base interactions energy: -301.087
where: short stacking energy: -194.085
Base-Backbone interact. energy: -1.427
local terms energy: -324.516904
where:
bonds (distance) C4'-P energy: -74.701
bonds (distance) P-C4' energy: -93.834
flat angles C4'-P-C4' energy: -73.587
flat angles P-C4'-P energy: -48.940
tors. eta vs tors. theta energy: -33.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 203
Temperature: 1.200000
Total energy: -555.440992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -555.440992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -555.440992 (E_RNA)
where:
Base-Base interactions energy: -233.315
where: short stacking energy: -180.558
Base-Backbone interact. energy: -2.858
local terms energy: -319.268149
where:
bonds (distance) C4'-P energy: -77.044
bonds (distance) P-C4' energy: -84.786
flat angles C4'-P-C4' energy: -80.249
flat angles P-C4'-P energy: -60.256
tors. eta vs tors. theta energy: -16.932
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: 5
=====================================
Write number: 203
Temperature: 1.250000
Total energy: -439.744130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -439.744130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -439.744130 (E_RNA)
where:
Base-Base interactions energy: -159.862
where: short stacking energy: -145.430
Base-Backbone interact. energy: 2.748
local terms energy: -282.630235
where:
bonds (distance) C4'-P energy: -86.412
bonds (distance) P-C4' energy: -76.605
flat angles C4'-P-C4' energy: -69.163
flat angles P-C4'-P energy: -38.292
tors. eta vs tors. theta energy: -12.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 203
Temperature: 1.300000
Total energy: -388.562079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -388.562079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -388.562079 (E_RNA)
where:
Base-Base interactions energy: -117.365
where: short stacking energy: -99.989
Base-Backbone interact. energy: 0.344
local terms energy: -271.540547
where:
bonds (distance) C4'-P energy: -79.440
bonds (distance) P-C4' energy: -78.986
flat angles C4'-P-C4' energy: -86.118
flat angles P-C4'-P energy: -35.801
tors. eta vs tors. theta energy: 8.804
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 203
Temperature: 1.350000
Total energy: -354.646211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.646211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.646211 (E_RNA)
where:
Base-Base interactions energy: -100.821
where: short stacking energy: -90.671
Base-Backbone interact. energy: 3.102
local terms energy: -256.927324
where:
bonds (distance) C4'-P energy: -89.701
bonds (distance) P-C4' energy: -93.983
flat angles C4'-P-C4' energy: -59.139
flat angles P-C4'-P energy: -35.806
tors. eta vs tors. theta energy: 21.702
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 204
Temperature: 0.900000
Total energy: -1237.969426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1237.969426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1237.969426 (E_RNA)
where:
Base-Base interactions energy: -747.095
where: short stacking energy: -440.411
Base-Backbone interact. energy: -0.411
local terms energy: -490.463388
where:
bonds (distance) C4'-P energy: -98.674
bonds (distance) P-C4' energy: -102.729
flat angles C4'-P-C4' energy: -90.889
flat angles P-C4'-P energy: -64.376
tors. eta vs tors. theta energy: -133.796
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 204
Temperature: 0.950000
Total energy: -1095.851478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1095.851478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1095.851478 (E_RNA)
where:
Base-Base interactions energy: -637.529
where: short stacking energy: -354.365
Base-Backbone interact. energy: -1.334
local terms energy: -456.988624
where:
bonds (distance) C4'-P energy: -92.598
bonds (distance) P-C4' energy: -88.386
flat angles C4'-P-C4' energy: -108.446
flat angles P-C4'-P energy: -69.137
tors. eta vs tors. theta energy: -98.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 204
Temperature: 1.000000
Total energy: -940.837428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -940.837428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -940.837428 (E_RNA)
where:
Base-Base interactions energy: -545.070
where: short stacking energy: -313.679
Base-Backbone interact. energy: -2.517
local terms energy: -393.249757
where:
bonds (distance) C4'-P energy: -79.091
bonds (distance) P-C4' energy: -87.175
flat angles C4'-P-C4' energy: -94.194
flat angles P-C4'-P energy: -57.468
tors. eta vs tors. theta energy: -75.321
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 204
Temperature: 1.050000
Total energy: -819.669537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -819.669537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -819.669537 (E_RNA)
where:
Base-Base interactions energy: -431.907
where: short stacking energy: -289.781
Base-Backbone interact. energy: 2.174
local terms energy: -389.935820
where:
bonds (distance) C4'-P energy: -96.004
bonds (distance) P-C4' energy: -85.772
flat angles C4'-P-C4' energy: -87.244
flat angles P-C4'-P energy: -63.480
tors. eta vs tors. theta energy: -57.435
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: 7
=====================================
Write number: 204
Temperature: 1.100000
Total energy: -685.562651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -685.562651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -685.562651 (E_RNA)
where:
Base-Base interactions energy: -333.604
where: short stacking energy: -217.428
Base-Backbone interact. energy: -0.219
local terms energy: -351.739494
where:
bonds (distance) C4'-P energy: -93.604
bonds (distance) P-C4' energy: -81.908
flat angles C4'-P-C4' energy: -79.234
flat angles P-C4'-P energy: -41.845
tors. eta vs tors. theta energy: -55.148
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: 3
=====================================
Write number: 204
Temperature: 1.150000
Total energy: -664.317012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -664.317012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -664.317012 (E_RNA)
where:
Base-Base interactions energy: -332.993
where: short stacking energy: -206.305
Base-Backbone interact. energy: -1.645
local terms energy: -329.679300
where:
bonds (distance) C4'-P energy: -79.523
bonds (distance) P-C4' energy: -67.275
flat angles C4'-P-C4' energy: -92.667
flat angles P-C4'-P energy: -53.841
tors. eta vs tors. theta energy: -36.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 204
Temperature: 1.200000
Total energy: -538.819710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.819710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.819710 (E_RNA)
where:
Base-Base interactions energy: -250.948
where: short stacking energy: -167.422
Base-Backbone interact. energy: 0.127
local terms energy: -287.998336
where:
bonds (distance) C4'-P energy: -75.928
bonds (distance) P-C4' energy: -91.648
flat angles C4'-P-C4' energy: -66.201
flat angles P-C4'-P energy: -41.211
tors. eta vs tors. theta energy: -13.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 204
Temperature: 1.250000
Total energy: -416.873411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.873411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.873411 (E_RNA)
where:
Base-Base interactions energy: -143.631
where: short stacking energy: -120.532
Base-Backbone interact. energy: -0.729
local terms energy: -272.512915
where:
bonds (distance) C4'-P energy: -75.858
bonds (distance) P-C4' energy: -70.993
flat angles C4'-P-C4' energy: -85.759
flat angles P-C4'-P energy: -39.183
tors. eta vs tors. theta energy: -0.720
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 204
Temperature: 1.300000
Total energy: -364.354217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.354217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.354217 (E_RNA)
where:
Base-Base interactions energy: -115.118
where: short stacking energy: -109.260
Base-Backbone interact. energy: 1.031
local terms energy: -250.267062
where:
bonds (distance) C4'-P energy: -75.366
bonds (distance) P-C4' energy: -85.551
flat angles C4'-P-C4' energy: -60.821
flat angles P-C4'-P energy: -43.812
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: 10, replica: 9
=====================================
Write number: 204
Temperature: 1.350000
Total energy: -359.690408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.690408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.690408 (E_RNA)
where:
Base-Base interactions energy: -138.518
where: short stacking energy: -127.466
Base-Backbone interact. energy: -0.247
local terms energy: -220.925764
where:
bonds (distance) C4'-P energy: -60.960
bonds (distance) P-C4' energy: -82.460
flat angles C4'-P-C4' energy: -54.407
flat angles P-C4'-P energy: -33.250
tors. eta vs tors. theta energy: 10.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 205
Temperature: 0.900000
Total energy: -1227.364128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1227.364128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1227.364128 (E_RNA)
where:
Base-Base interactions energy: -746.659
where: short stacking energy: -426.205
Base-Backbone interact. energy: 0.466
local terms energy: -481.170877
where:
bonds (distance) C4'-P energy: -86.466
bonds (distance) P-C4' energy: -104.982
flat angles C4'-P-C4' energy: -105.472
flat angles P-C4'-P energy: -73.517
tors. eta vs tors. theta energy: -110.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 205
Temperature: 0.950000
Total energy: -1096.748648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1096.748648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1096.748648 (E_RNA)
where:
Base-Base interactions energy: -644.435
where: short stacking energy: -381.719
Base-Backbone interact. energy: -1.173
local terms energy: -451.140542
where:
bonds (distance) C4'-P energy: -94.991
bonds (distance) P-C4' energy: -93.939
flat angles C4'-P-C4' energy: -101.107
flat angles P-C4'-P energy: -61.139
tors. eta vs tors. theta energy: -99.964
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 205
Temperature: 1.000000
Total energy: -924.767083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -924.767083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -924.767083 (E_RNA)
where:
Base-Base interactions energy: -508.888
where: short stacking energy: -337.187
Base-Backbone interact. energy: -1.256
local terms energy: -414.622660
where:
bonds (distance) C4'-P energy: -83.395
bonds (distance) P-C4' energy: -81.868
flat angles C4'-P-C4' energy: -100.084
flat angles P-C4'-P energy: -57.797
tors. eta vs tors. theta energy: -91.480
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: 6
=====================================
Write number: 205
Temperature: 1.050000
Total energy: -819.623645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -819.623645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -819.623645 (E_RNA)
where:
Base-Base interactions energy: -424.542
where: short stacking energy: -281.118
Base-Backbone interact. energy: 0.165
local terms energy: -395.245892
where:
bonds (distance) C4'-P energy: -78.841
bonds (distance) P-C4' energy: -98.640
flat angles C4'-P-C4' energy: -87.670
flat angles P-C4'-P energy: -65.600
tors. eta vs tors. theta energy: -64.495
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: 7
=====================================
Write number: 205
Temperature: 1.100000
Total energy: -655.229104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -655.229104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -655.229104 (E_RNA)
where:
Base-Base interactions energy: -320.225
where: short stacking energy: -201.651
Base-Backbone interact. energy: 3.457
local terms energy: -338.461094
where:
bonds (distance) C4'-P energy: -69.966
bonds (distance) P-C4' energy: -89.628
flat angles C4'-P-C4' energy: -83.047
flat angles P-C4'-P energy: -54.896
tors. eta vs tors. theta energy: -40.924
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: 3
=====================================
Write number: 205
Temperature: 1.150000
Total energy: -690.377542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -690.377542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -690.377542 (E_RNA)
where:
Base-Base interactions energy: -369.840
where: short stacking energy: -207.644
Base-Backbone interact. energy: -0.610
local terms energy: -319.927613
where:
bonds (distance) C4'-P energy: -96.516
bonds (distance) P-C4' energy: -57.605
flat angles C4'-P-C4' energy: -75.741
flat angles P-C4'-P energy: -57.361
tors. eta vs tors. theta energy: -32.705
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 205
Temperature: 1.200000
Total energy: -524.023938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.023938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.023938 (E_RNA)
where:
Base-Base interactions energy: -195.030
where: short stacking energy: -148.631
Base-Backbone interact. energy: 0.699
local terms energy: -329.693462
where:
bonds (distance) C4'-P energy: -82.507
bonds (distance) P-C4' energy: -84.347
flat angles C4'-P-C4' energy: -79.866
flat angles P-C4'-P energy: -57.198
tors. eta vs tors. theta energy: -25.776
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 205
Temperature: 1.250000
Total energy: -413.879092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.879092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -413.879092 (E_RNA)
where:
Base-Base interactions energy: -128.464
where: short stacking energy: -118.399
Base-Backbone interact. energy: -1.401
local terms energy: -284.014171
where:
bonds (distance) C4'-P energy: -80.120
bonds (distance) P-C4' energy: -85.079
flat angles C4'-P-C4' energy: -78.758
flat angles P-C4'-P energy: -51.492
tors. eta vs tors. theta energy: 11.434
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 205
Temperature: 1.300000
Total energy: -372.449175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -372.449175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -372.449175 (E_RNA)
where:
Base-Base interactions energy: -125.493
where: short stacking energy: -102.895
Base-Backbone interact. energy: -1.272
local terms energy: -245.683590
where:
bonds (distance) C4'-P energy: -67.798
bonds (distance) P-C4' energy: -89.976
flat angles C4'-P-C4' energy: -70.970
flat angles P-C4'-P energy: -30.542
tors. eta vs tors. theta energy: 13.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 205
Temperature: 1.350000
Total energy: -372.389288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -372.389288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -372.389288 (E_RNA)
where:
Base-Base interactions energy: -137.111
where: short stacking energy: -101.482
Base-Backbone interact. energy: -0.970
local terms energy: -234.307872
where:
bonds (distance) C4'-P energy: -63.342
bonds (distance) P-C4' energy: -66.973
flat angles C4'-P-C4' energy: -68.263
flat angles P-C4'-P energy: -41.520
tors. eta vs tors. theta energy: 5.791
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: 1, replica: 1
=====================================
Write number: 206
Temperature: 0.900000
Total energy: -1212.738320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1212.738320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1212.738320 (E_RNA)
where:
Base-Base interactions energy: -724.185
where: short stacking energy: -412.697
Base-Backbone interact. energy: 0.663
local terms energy: -489.216474
where:
bonds (distance) C4'-P energy: -93.252
bonds (distance) P-C4' energy: -99.021
flat angles C4'-P-C4' energy: -102.301
flat angles P-C4'-P energy: -67.866
tors. eta vs tors. theta energy: -126.777
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: 4
=====================================
Write number: 206
Temperature: 0.950000
Total energy: -1074.845269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1074.845269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1074.845269 (E_RNA)
where:
Base-Base interactions energy: -654.694
where: short stacking energy: -368.713
Base-Backbone interact. energy: 0.755
local terms energy: -420.905933
where:
bonds (distance) C4'-P energy: -70.739
bonds (distance) P-C4' energy: -89.132
flat angles C4'-P-C4' energy: -101.767
flat angles P-C4'-P energy: -62.457
tors. eta vs tors. theta energy: -96.811
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 206
Temperature: 1.000000
Total energy: -913.124987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -913.124987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -913.124987 (E_RNA)
where:
Base-Base interactions energy: -495.116
where: short stacking energy: -296.487
Base-Backbone interact. energy: -1.790
local terms energy: -416.218404
where:
bonds (distance) C4'-P energy: -83.577
bonds (distance) P-C4' energy: -84.125
flat angles C4'-P-C4' energy: -97.353
flat angles P-C4'-P energy: -63.494
tors. eta vs tors. theta energy: -87.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 206
Temperature: 1.050000
Total energy: -790.354996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -790.354996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -790.354996 (E_RNA)
where:
Base-Base interactions energy: -403.601
where: short stacking energy: -256.658
Base-Backbone interact. energy: -0.052
local terms energy: -386.701680
where:
bonds (distance) C4'-P energy: -95.551
bonds (distance) P-C4' energy: -99.164
flat angles C4'-P-C4' energy: -84.143
flat angles P-C4'-P energy: -46.496
tors. eta vs tors. theta energy: -61.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 206
Temperature: 1.100000
Total energy: -686.818822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -686.818822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -686.818822 (E_RNA)
where:
Base-Base interactions energy: -343.196
where: short stacking energy: -247.891
Base-Backbone interact. energy: 0.062
local terms energy: -343.684199
where:
bonds (distance) C4'-P energy: -85.282
bonds (distance) P-C4' energy: -82.345
flat angles C4'-P-C4' energy: -77.747
flat angles P-C4'-P energy: -46.328
tors. eta vs tors. theta energy: -51.982
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: 7
=====================================
Write number: 206
Temperature: 1.150000
Total energy: -607.447982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -607.447982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -607.447982 (E_RNA)
where:
Base-Base interactions energy: -284.792
where: short stacking energy: -168.860
Base-Backbone interact. energy: -0.448
local terms energy: -322.207955
where:
bonds (distance) C4'-P energy: -81.772
bonds (distance) P-C4' energy: -69.867
flat angles C4'-P-C4' energy: -83.753
flat angles P-C4'-P energy: -58.327
tors. eta vs tors. theta energy: -28.489
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: 8
=====================================
Write number: 206
Temperature: 1.200000
Total energy: -518.179262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.179262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.179262 (E_RNA)
where:
Base-Base interactions energy: -232.617
where: short stacking energy: -158.115
Base-Backbone interact. energy: 1.264
local terms energy: -286.826587
where:
bonds (distance) C4'-P energy: -73.323
bonds (distance) P-C4' energy: -89.388
flat angles C4'-P-C4' energy: -64.297
flat angles P-C4'-P energy: -53.687
tors. eta vs tors. theta energy: -6.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 206
Temperature: 1.250000
Total energy: -422.373697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -422.373697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -422.373697 (E_RNA)
where:
Base-Base interactions energy: -166.925
where: short stacking energy: -122.369
Base-Backbone interact. energy: 0.977
local terms energy: -256.425347
where:
bonds (distance) C4'-P energy: -83.101
bonds (distance) P-C4' energy: -67.534
flat angles C4'-P-C4' energy: -72.581
flat angles P-C4'-P energy: -30.755
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: 9, replica: 5
=====================================
Write number: 206
Temperature: 1.300000
Total energy: -362.678239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.678239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.678239 (E_RNA)
where:
Base-Base interactions energy: -106.009
where: short stacking energy: -103.169
Base-Backbone interact. energy: -1.244
local terms energy: -255.425383
where:
bonds (distance) C4'-P energy: -81.632
bonds (distance) P-C4' energy: -83.471
flat angles C4'-P-C4' energy: -54.068
flat angles P-C4'-P energy: -42.888
tors. eta vs tors. theta energy: 6.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 206
Temperature: 1.350000
Total energy: -334.174641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.174641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.174641 (E_RNA)
where:
Base-Base interactions energy: -122.054
where: short stacking energy: -105.240
Base-Backbone interact. energy: 2.386
local terms energy: -214.507269
where:
bonds (distance) C4'-P energy: -80.246
bonds (distance) P-C4' energy: -68.533
flat angles C4'-P-C4' energy: -48.883
flat angles P-C4'-P energy: -34.577
tors. eta vs tors. theta energy: 17.732
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 207
Temperature: 0.900000
Total energy: -1200.669999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1200.669999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1200.669999 (E_RNA)
where:
Base-Base interactions energy: -732.835
where: short stacking energy: -396.099
Base-Backbone interact. energy: -2.398
local terms energy: -465.436849
where:
bonds (distance) C4'-P energy: -90.086
bonds (distance) P-C4' energy: -89.784
flat angles C4'-P-C4' energy: -106.918
flat angles P-C4'-P energy: -67.265
tors. eta vs tors. theta energy: -111.384
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: 2, replica: 4
=====================================
Write number: 207
Temperature: 0.950000
Total energy: -1094.022771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1094.022771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1094.022771 (E_RNA)
where:
Base-Base interactions energy: -649.312
where: short stacking energy: -376.658
Base-Backbone interact. energy: -0.827
local terms energy: -443.884053
where:
bonds (distance) C4'-P energy: -95.653
bonds (distance) P-C4' energy: -89.162
flat angles C4'-P-C4' energy: -103.747
flat angles P-C4'-P energy: -52.105
tors. eta vs tors. theta energy: -103.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 207
Temperature: 1.000000
Total energy: -935.766681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -935.766681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -935.766681 (E_RNA)
where:
Base-Base interactions energy: -520.043
where: short stacking energy: -331.111
Base-Backbone interact. energy: -1.359
local terms energy: -414.364662
where:
bonds (distance) C4'-P energy: -71.542
bonds (distance) P-C4' energy: -99.123
flat angles C4'-P-C4' energy: -91.824
flat angles P-C4'-P energy: -61.985
tors. eta vs tors. theta energy: -89.892
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: 6
=====================================
Write number: 207
Temperature: 1.050000
Total energy: -776.172372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -776.172372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -776.172372 (E_RNA)
where:
Base-Base interactions energy: -380.373
where: short stacking energy: -266.106
Base-Backbone interact. energy: 0.545
local terms energy: -396.344027
where:
bonds (distance) C4'-P energy: -86.916
bonds (distance) P-C4' energy: -94.010
flat angles C4'-P-C4' energy: -90.772
flat angles P-C4'-P energy: -61.594
tors. eta vs tors. theta energy: -63.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 207
Temperature: 1.100000
Total energy: -680.840865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -680.840865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -680.840865 (E_RNA)
where:
Base-Base interactions energy: -339.620
where: short stacking energy: -222.037
Base-Backbone interact. energy: 5.738
local terms energy: -346.958342
where:
bonds (distance) C4'-P energy: -71.975
bonds (distance) P-C4' energy: -77.606
flat angles C4'-P-C4' energy: -99.559
flat angles P-C4'-P energy: -58.970
tors. eta vs tors. theta energy: -38.848
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 207
Temperature: 1.150000
Total energy: -606.439127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -606.439127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -606.439127 (E_RNA)
where:
Base-Base interactions energy: -284.955
where: short stacking energy: -187.633
Base-Backbone interact. energy: -0.009
local terms energy: -321.474574
where:
bonds (distance) C4'-P energy: -79.155
bonds (distance) P-C4' energy: -92.823
flat angles C4'-P-C4' energy: -84.322
flat angles P-C4'-P energy: -43.228
tors. eta vs tors. theta energy: -21.947
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 207
Temperature: 1.200000
Total energy: -541.689777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.689777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.689777 (E_RNA)
where:
Base-Base interactions energy: -248.481
where: short stacking energy: -187.694
Base-Backbone interact. energy: -1.332
local terms energy: -291.876870
where:
bonds (distance) C4'-P energy: -75.308
bonds (distance) P-C4' energy: -80.038
flat angles C4'-P-C4' energy: -76.849
flat angles P-C4'-P energy: -38.430
tors. eta vs tors. theta energy: -21.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 207
Temperature: 1.250000
Total energy: -425.062748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -425.062748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -425.062748 (E_RNA)
where:
Base-Base interactions energy: -144.117
where: short stacking energy: -131.648
Base-Backbone interact. energy: -1.182
local terms energy: -279.763540
where:
bonds (distance) C4'-P energy: -88.520
bonds (distance) P-C4' energy: -75.930
flat angles C4'-P-C4' energy: -66.946
flat angles P-C4'-P energy: -49.113
tors. eta vs tors. theta energy: 0.745
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 207
Temperature: 1.300000
Total energy: -403.309805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.309805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -403.309805 (E_RNA)
where:
Base-Base interactions energy: -129.775
where: short stacking energy: -123.308
Base-Backbone interact. energy: -0.490
local terms energy: -273.045065
where:
bonds (distance) C4'-P energy: -78.948
bonds (distance) P-C4' energy: -82.791
flat angles C4'-P-C4' energy: -68.962
flat angles P-C4'-P energy: -37.161
tors. eta vs tors. theta energy: -5.183
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 207
Temperature: 1.350000
Total energy: -391.069794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.069794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -391.069794 (E_RNA)
where:
Base-Base interactions energy: -134.323
where: short stacking energy: -123.271
Base-Backbone interact. energy: 1.636
local terms energy: -258.382906
where:
bonds (distance) C4'-P energy: -85.952
bonds (distance) P-C4' energy: -76.543
flat angles C4'-P-C4' energy: -55.840
flat angles P-C4'-P energy: -44.554
tors. eta vs tors. theta energy: 4.506
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: 1
=====================================
Write number: 208
Temperature: 0.900000
Total energy: -1246.513868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1246.513868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1246.513868 (E_RNA)
where:
Base-Base interactions energy: -762.962
where: short stacking energy: -426.608
Base-Backbone interact. energy: -3.113
local terms energy: -480.438866
where:
bonds (distance) C4'-P energy: -88.207
bonds (distance) P-C4' energy: -94.866
flat angles C4'-P-C4' energy: -100.672
flat angles P-C4'-P energy: -70.914
tors. eta vs tors. theta energy: -125.780
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 208
Temperature: 0.950000
Total energy: -1127.203753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1127.203753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1127.203753 (E_RNA)
where:
Base-Base interactions energy: -663.635
where: short stacking energy: -398.042
Base-Backbone interact. energy: 0.002
local terms energy: -463.570072
where:
bonds (distance) C4'-P energy: -94.077
bonds (distance) P-C4' energy: -92.359
flat angles C4'-P-C4' energy: -108.094
flat angles P-C4'-P energy: -63.946
tors. eta vs tors. theta energy: -105.093
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 208
Temperature: 1.000000
Total energy: -887.131909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -887.131909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -887.131909 (E_RNA)
where:
Base-Base interactions energy: -489.883
where: short stacking energy: -311.435
Base-Backbone interact. energy: -0.561
local terms energy: -396.688244
where:
bonds (distance) C4'-P energy: -91.326
bonds (distance) P-C4' energy: -85.558
flat angles C4'-P-C4' energy: -80.480
flat angles P-C4'-P energy: -64.445
tors. eta vs tors. theta energy: -74.879
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: 6
=====================================
Write number: 208
Temperature: 1.050000
Total energy: -830.686797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -830.686797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -830.686797 (E_RNA)
where:
Base-Base interactions energy: -457.461
where: short stacking energy: -294.253
Base-Backbone interact. energy: -1.829
local terms energy: -371.397655
where:
bonds (distance) C4'-P energy: -74.010
bonds (distance) P-C4' energy: -89.147
flat angles C4'-P-C4' energy: -83.014
flat angles P-C4'-P energy: -52.687
tors. eta vs tors. theta energy: -72.539
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 208
Temperature: 1.100000
Total energy: -614.497460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -614.497460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -614.497460 (E_RNA)
where:
Base-Base interactions energy: -262.506
where: short stacking energy: -185.780
Base-Backbone interact. energy: -0.412
local terms energy: -351.579015
where:
bonds (distance) C4'-P energy: -82.368
bonds (distance) P-C4' energy: -93.097
flat angles C4'-P-C4' energy: -83.849
flat angles P-C4'-P energy: -60.289
tors. eta vs tors. theta energy: -31.976
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 208
Temperature: 1.150000
Total energy: -554.351642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -554.351642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -554.351642 (E_RNA)
where:
Base-Base interactions energy: -252.742
where: short stacking energy: -166.782
Base-Backbone interact. energy: -1.025
local terms energy: -300.585462
where:
bonds (distance) C4'-P energy: -77.678
bonds (distance) P-C4' energy: -84.962
flat angles C4'-P-C4' energy: -72.776
flat angles P-C4'-P energy: -48.787
tors. eta vs tors. theta energy: -16.382
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 208
Temperature: 1.200000
Total energy: -504.262858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.262858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.262858 (E_RNA)
where:
Base-Base interactions energy: -219.050
where: short stacking energy: -157.563
Base-Backbone interact. energy: 1.975
local terms energy: -287.187390
where:
bonds (distance) C4'-P energy: -84.099
bonds (distance) P-C4' energy: -73.440
flat angles C4'-P-C4' energy: -71.818
flat angles P-C4'-P energy: -48.382
tors. eta vs tors. theta energy: -9.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 208
Temperature: 1.250000
Total energy: -407.616936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.616936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -407.616936 (E_RNA)
where:
Base-Base interactions energy: -145.967
where: short stacking energy: -126.321
Base-Backbone interact. energy: -1.373
local terms energy: -260.276195
where:
bonds (distance) C4'-P energy: -68.445
bonds (distance) P-C4' energy: -82.917
flat angles C4'-P-C4' energy: -64.808
flat angles P-C4'-P energy: -30.416
tors. eta vs tors. theta energy: -13.690
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: 208
Temperature: 1.300000
Total energy: -363.134976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.134976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.134976 (E_RNA)
where:
Base-Base interactions energy: -136.375
where: short stacking energy: -101.691
Base-Backbone interact. energy: 3.185
local terms energy: -229.945879
where:
bonds (distance) C4'-P energy: -74.939
bonds (distance) P-C4' energy: -83.745
flat angles C4'-P-C4' energy: -67.843
flat angles P-C4'-P energy: -18.388
tors. eta vs tors. theta energy: 14.968
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 208
Temperature: 1.350000
Total energy: -343.322652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.322652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.322652 (E_RNA)
where:
Base-Base interactions energy: -113.764
where: short stacking energy: -98.032
Base-Backbone interact. energy: 1.011
local terms energy: -230.569036
where:
bonds (distance) C4'-P energy: -81.330
bonds (distance) P-C4' energy: -84.877
flat angles C4'-P-C4' energy: -57.790
flat angles P-C4'-P energy: -37.610
tors. eta vs tors. theta energy: 31.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 209
Temperature: 0.900000
Total energy: -1244.268658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1244.268658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1244.268658 (E_RNA)
where:
Base-Base interactions energy: -760.354
where: short stacking energy: -425.797
Base-Backbone interact. energy: 0.600
local terms energy: -484.515138
where:
bonds (distance) C4'-P energy: -84.848
bonds (distance) P-C4' energy: -95.159
flat angles C4'-P-C4' energy: -100.320
flat angles P-C4'-P energy: -72.973
tors. eta vs tors. theta energy: -131.215
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: 4
=====================================
Write number: 209
Temperature: 0.950000
Total energy: -1098.643267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1098.643267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1098.643267 (E_RNA)
where:
Base-Base interactions energy: -643.559
where: short stacking energy: -373.650
Base-Backbone interact. energy: -2.401
local terms energy: -452.683521
where:
bonds (distance) C4'-P energy: -91.365
bonds (distance) P-C4' energy: -95.091
flat angles C4'-P-C4' energy: -99.276
flat angles P-C4'-P energy: -69.912
tors. eta vs tors. theta energy: -97.039
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 209
Temperature: 1.000000
Total energy: -932.971707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -932.971707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -932.971707 (E_RNA)
where:
Base-Base interactions energy: -521.477
where: short stacking energy: -347.973
Base-Backbone interact. energy: -0.266
local terms energy: -411.229242
where:
bonds (distance) C4'-P energy: -89.378
bonds (distance) P-C4' energy: -81.366
flat angles C4'-P-C4' energy: -93.984
flat angles P-C4'-P energy: -65.205
tors. eta vs tors. theta energy: -81.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 209
Temperature: 1.050000
Total energy: -775.880876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -775.880876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -775.880876 (E_RNA)
where:
Base-Base interactions energy: -413.009
where: short stacking energy: -266.850
Base-Backbone interact. energy: 1.051
local terms energy: -363.922915
where:
bonds (distance) C4'-P energy: -84.314
bonds (distance) P-C4' energy: -89.284
flat angles C4'-P-C4' energy: -85.410
flat angles P-C4'-P energy: -49.575
tors. eta vs tors. theta energy: -55.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 209
Temperature: 1.100000
Total energy: -678.597330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -678.597330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -678.597330 (E_RNA)
where:
Base-Base interactions energy: -331.326
where: short stacking energy: -224.309
Base-Backbone interact. energy: -0.284
local terms energy: -346.987849
where:
bonds (distance) C4'-P energy: -84.957
bonds (distance) P-C4' energy: -91.571
flat angles C4'-P-C4' energy: -80.499
flat angles P-C4'-P energy: -43.726
tors. eta vs tors. theta energy: -46.233
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: 8
=====================================
Write number: 209
Temperature: 1.150000
Total energy: -561.085337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -561.085337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -561.085337 (E_RNA)
where:
Base-Base interactions energy: -248.728
where: short stacking energy: -164.807
Base-Backbone interact. energy: -0.560
local terms energy: -311.797377
where:
bonds (distance) C4'-P energy: -86.791
bonds (distance) P-C4' energy: -78.032
flat angles C4'-P-C4' energy: -83.959
flat angles P-C4'-P energy: -50.091
tors. eta vs tors. theta energy: -12.924
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 209
Temperature: 1.200000
Total energy: -510.165270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.165270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.165270 (E_RNA)
where:
Base-Base interactions energy: -210.801
where: short stacking energy: -165.453
Base-Backbone interact. energy: 1.120
local terms energy: -300.483852
where:
bonds (distance) C4'-P energy: -83.717
bonds (distance) P-C4' energy: -77.264
flat angles C4'-P-C4' energy: -77.195
flat angles P-C4'-P energy: -49.901
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: 8, replica: 5
=====================================
Write number: 209
Temperature: 1.250000
Total energy: -418.702463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.702463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.702463 (E_RNA)
where:
Base-Base interactions energy: -134.818
where: short stacking energy: -128.971
Base-Backbone interact. energy: -1.282
local terms energy: -282.602599
where:
bonds (distance) C4'-P energy: -76.791
bonds (distance) P-C4' energy: -71.461
flat angles C4'-P-C4' energy: -71.081
flat angles P-C4'-P energy: -53.083
tors. eta vs tors. theta energy: -10.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 209
Temperature: 1.300000
Total energy: -375.826246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -375.826246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -375.826246 (E_RNA)
where:
Base-Base interactions energy: -114.657
where: short stacking energy: -103.758
Base-Backbone interact. energy: 4.782
local terms energy: -265.951523
where:
bonds (distance) C4'-P energy: -77.948
bonds (distance) P-C4' energy: -85.531
flat angles C4'-P-C4' energy: -57.201
flat angles P-C4'-P energy: -48.210
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: 9
=====================================
Write number: 209
Temperature: 1.350000
Total energy: -343.601476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.601476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.601476 (E_RNA)
where:
Base-Base interactions energy: -110.794
where: short stacking energy: -85.506
Base-Backbone interact. energy: 0.763
local terms energy: -233.570059
where:
bonds (distance) C4'-P energy: -73.994
bonds (distance) P-C4' energy: -78.863
flat angles C4'-P-C4' energy: -54.100
flat angles P-C4'-P energy: -37.544
tors. eta vs tors. theta energy: 10.931
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: 1
=====================================
Write number: 210
Temperature: 0.900000
Total energy: -1239.600174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1239.600174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1239.600174 (E_RNA)
where:
Base-Base interactions energy: -764.917
where: short stacking energy: -426.169
Base-Backbone interact. energy: -1.701
local terms energy: -472.981915
where:
bonds (distance) C4'-P energy: -90.366
bonds (distance) P-C4' energy: -93.262
flat angles C4'-P-C4' energy: -96.858
flat angles P-C4'-P energy: -69.742
tors. eta vs tors. theta energy: -122.754
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: 4
=====================================
Write number: 210
Temperature: 0.950000
Total energy: -1103.367880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1103.367880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1103.367880 (E_RNA)
where:
Base-Base interactions energy: -650.803
where: short stacking energy: -368.864
Base-Backbone interact. energy: -0.741
local terms energy: -451.823682
where:
bonds (distance) C4'-P energy: -95.617
bonds (distance) P-C4' energy: -94.548
flat angles C4'-P-C4' energy: -96.088
flat angles P-C4'-P energy: -69.948
tors. eta vs tors. theta energy: -95.623
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: 3, replica: 2
=====================================
Write number: 210
Temperature: 1.000000
Total energy: -856.257363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -856.257363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -856.257363 (E_RNA)
where:
Base-Base interactions energy: -464.677
where: short stacking energy: -292.755
Base-Backbone interact. energy: -0.590
local terms energy: -390.990466
where:
bonds (distance) C4'-P energy: -100.720
bonds (distance) P-C4' energy: -80.100
flat angles C4'-P-C4' energy: -93.458
flat angles P-C4'-P energy: -49.049
tors. eta vs tors. theta energy: -67.665
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: 6
=====================================
Write number: 210
Temperature: 1.050000
Total energy: -836.705530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -836.705530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -836.705530 (E_RNA)
where:
Base-Base interactions energy: -447.170
where: short stacking energy: -285.677
Base-Backbone interact. energy: -2.678
local terms energy: -386.858127
where:
bonds (distance) C4'-P energy: -83.194
bonds (distance) P-C4' energy: -83.536
flat angles C4'-P-C4' energy: -85.304
flat angles P-C4'-P energy: -60.204
tors. eta vs tors. theta energy: -74.620
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 210
Temperature: 1.100000
Total energy: -696.110414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -696.110414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -696.110414 (E_RNA)
where:
Base-Base interactions energy: -332.282
where: short stacking energy: -223.168
Base-Backbone interact. energy: -0.660
local terms energy: -363.169026
where:
bonds (distance) C4'-P energy: -70.758
bonds (distance) P-C4' energy: -95.340
flat angles C4'-P-C4' energy: -82.626
flat angles P-C4'-P energy: -67.419
tors. eta vs tors. theta energy: -47.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 210
Temperature: 1.150000
Total energy: -577.623612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -577.623612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -577.623612 (E_RNA)
where:
Base-Base interactions energy: -253.667
where: short stacking energy: -189.876
Base-Backbone interact. energy: -0.169
local terms energy: -323.787532
where:
bonds (distance) C4'-P energy: -81.625
bonds (distance) P-C4' energy: -89.752
flat angles C4'-P-C4' energy: -89.147
flat angles P-C4'-P energy: -34.399
tors. eta vs tors. theta energy: -28.865
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 210
Temperature: 1.200000
Total energy: -505.710403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.710403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.710403 (E_RNA)
where:
Base-Base interactions energy: -222.220
where: short stacking energy: -167.257
Base-Backbone interact. energy: 0.467
local terms energy: -283.956720
where:
bonds (distance) C4'-P energy: -90.669
bonds (distance) P-C4' energy: -71.699
flat angles C4'-P-C4' energy: -81.667
flat angles P-C4'-P energy: -30.590
tors. eta vs tors. theta energy: -9.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 210
Temperature: 1.250000
Total energy: -414.315482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.315482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.315482 (E_RNA)
where:
Base-Base interactions energy: -135.333
where: short stacking energy: -133.304
Base-Backbone interact. energy: -1.136
local terms energy: -277.846933
where:
bonds (distance) C4'-P energy: -72.071
bonds (distance) P-C4' energy: -88.103
flat angles C4'-P-C4' energy: -62.422
flat angles P-C4'-P energy: -43.241
tors. eta vs tors. theta energy: -12.009
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: 9, replica: 10
=====================================
Write number: 210
Temperature: 1.300000
Total energy: -370.656085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.656085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.656085 (E_RNA)
where:
Base-Base interactions energy: -116.598
where: short stacking energy: -97.896
Base-Backbone interact. energy: 1.837
local terms energy: -255.894784
where:
bonds (distance) C4'-P energy: -73.665
bonds (distance) P-C4' energy: -87.161
flat angles C4'-P-C4' energy: -73.217
flat angles P-C4'-P energy: -37.226
tors. eta vs tors. theta energy: 15.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 210
Temperature: 1.350000
Total energy: -354.127843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.127843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.127843 (E_RNA)
where:
Base-Base interactions energy: -120.318
where: short stacking energy: -106.988
Base-Backbone interact. energy: -1.654
local terms energy: -232.156147
where:
bonds (distance) C4'-P energy: -75.465
bonds (distance) P-C4' energy: -78.865
flat angles C4'-P-C4' energy: -62.632
flat angles P-C4'-P energy: -30.314
tors. eta vs tors. theta energy: 15.120
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 211
Temperature: 0.900000
Total energy: -1200.402286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1200.402286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1200.402286 (E_RNA)
where:
Base-Base interactions energy: -719.212
where: short stacking energy: -395.963
Base-Backbone interact. energy: -1.075
local terms energy: -480.114852
where:
bonds (distance) C4'-P energy: -100.632
bonds (distance) P-C4' energy: -90.038
flat angles C4'-P-C4' energy: -111.941
flat angles P-C4'-P energy: -70.034
tors. eta vs tors. theta energy: -107.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 211
Temperature: 0.950000
Total energy: -1122.410660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1122.410660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1122.410660 (E_RNA)
where:
Base-Base interactions energy: -685.792
where: short stacking energy: -361.888
Base-Backbone interact. energy: 0.464
local terms energy: -437.081973
where:
bonds (distance) C4'-P energy: -87.838
bonds (distance) P-C4' energy: -90.620
flat angles C4'-P-C4' energy: -96.450
flat angles P-C4'-P energy: -64.147
tors. eta vs tors. theta energy: -98.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 211
Temperature: 1.000000
Total energy: -913.685979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -913.685979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -913.685979 (E_RNA)
where:
Base-Base interactions energy: -496.972
where: short stacking energy: -285.930
Base-Backbone interact. energy: -0.873
local terms energy: -415.841144
where:
bonds (distance) C4'-P energy: -88.984
bonds (distance) P-C4' energy: -90.336
flat angles C4'-P-C4' energy: -95.107
flat angles P-C4'-P energy: -63.891
tors. eta vs tors. theta energy: -77.523
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: 6
=====================================
Write number: 211
Temperature: 1.050000
Total energy: -825.437588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -825.437588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -825.437588 (E_RNA)
where:
Base-Base interactions energy: -444.318
where: short stacking energy: -266.705
Base-Backbone interact. energy: -1.260
local terms energy: -379.859277
where:
bonds (distance) C4'-P energy: -83.077
bonds (distance) P-C4' energy: -86.306
flat angles C4'-P-C4' energy: -94.884
flat angles P-C4'-P energy: -53.074
tors. eta vs tors. theta energy: -62.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 211
Temperature: 1.100000
Total energy: -741.306425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -741.306425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -741.306425 (E_RNA)
where:
Base-Base interactions energy: -383.821
where: short stacking energy: -241.738
Base-Backbone interact. energy: -1.485
local terms energy: -355.999874
where:
bonds (distance) C4'-P energy: -84.794
bonds (distance) P-C4' energy: -92.236
flat angles C4'-P-C4' energy: -72.246
flat angles P-C4'-P energy: -51.365
tors. eta vs tors. theta energy: -55.358
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 211
Temperature: 1.150000
Total energy: -545.285903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.285903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.285903 (E_RNA)
where:
Base-Base interactions energy: -224.916
where: short stacking energy: -164.006
Base-Backbone interact. energy: -0.657
local terms energy: -319.713592
where:
bonds (distance) C4'-P energy: -84.603
bonds (distance) P-C4' energy: -85.476
flat angles C4'-P-C4' energy: -76.504
flat angles P-C4'-P energy: -54.190
tors. eta vs tors. theta energy: -18.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 211
Temperature: 1.200000
Total energy: -488.149321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.149321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.149321 (E_RNA)
where:
Base-Base interactions energy: -201.346
where: short stacking energy: -156.334
Base-Backbone interact. energy: -0.984
local terms energy: -285.819542
where:
bonds (distance) C4'-P energy: -80.724
bonds (distance) P-C4' energy: -81.123
flat angles C4'-P-C4' energy: -85.788
flat angles P-C4'-P energy: -31.493
tors. eta vs tors. theta energy: -6.691
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: 5
=====================================
Write number: 211
Temperature: 1.250000
Total energy: -402.201541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -402.201541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -402.201541 (E_RNA)
where:
Base-Base interactions energy: -141.507
where: short stacking energy: -116.260
Base-Backbone interact. energy: -1.388
local terms energy: -259.306072
where:
bonds (distance) C4'-P energy: -67.984
bonds (distance) P-C4' energy: -81.909
flat angles C4'-P-C4' energy: -80.175
flat angles P-C4'-P energy: -35.415
tors. eta vs tors. theta energy: 6.176
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: 9, replica: 10
=====================================
Write number: 211
Temperature: 1.300000
Total energy: -369.577773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.577773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.577773 (E_RNA)
where:
Base-Base interactions energy: -142.143
where: short stacking energy: -137.205
Base-Backbone interact. energy: 5.125
local terms energy: -232.559560
where:
bonds (distance) C4'-P energy: -67.316
bonds (distance) P-C4' energy: -61.547
flat angles C4'-P-C4' energy: -84.151
flat angles P-C4'-P energy: -26.831
tors. eta vs tors. theta energy: 7.285
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: 9
=====================================
Write number: 211
Temperature: 1.350000
Total energy: -365.041670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.041670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.041670 (E_RNA)
where:
Base-Base interactions energy: -115.738
where: short stacking energy: -91.689
Base-Backbone interact. energy: 1.689
local terms energy: -250.992533
where:
bonds (distance) C4'-P energy: -93.345
bonds (distance) P-C4' energy: -75.511
flat angles C4'-P-C4' energy: -67.347
flat angles P-C4'-P energy: -39.395
tors. eta vs tors. theta energy: 24.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 212
Temperature: 0.900000
Total energy: -1249.256571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1249.256571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1249.256571 (E_RNA)
where:
Base-Base interactions energy: -788.382
where: short stacking energy: -432.810
Base-Backbone interact. energy: -2.418
local terms energy: -458.456001
where:
bonds (distance) C4'-P energy: -80.936
bonds (distance) P-C4' energy: -97.461
flat angles C4'-P-C4' energy: -96.520
flat angles P-C4'-P energy: -65.044
tors. eta vs tors. theta energy: -118.494
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: 4
=====================================
Write number: 212
Temperature: 0.950000
Total energy: -1132.312742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1132.312742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1132.312742 (E_RNA)
where:
Base-Base interactions energy: -686.873
where: short stacking energy: -368.463
Base-Backbone interact. energy: 1.224
local terms energy: -446.663522
where:
bonds (distance) C4'-P energy: -86.636
bonds (distance) P-C4' energy: -89.806
flat angles C4'-P-C4' energy: -103.988
flat angles P-C4'-P energy: -56.714
tors. eta vs tors. theta energy: -109.520
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 212
Temperature: 1.000000
Total energy: -926.929040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -926.929040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -926.929040 (E_RNA)
where:
Base-Base interactions energy: -542.322
where: short stacking energy: -306.310
Base-Backbone interact. energy: -1.454
local terms energy: -383.153007
where:
bonds (distance) C4'-P energy: -86.353
bonds (distance) P-C4' energy: -75.061
flat angles C4'-P-C4' energy: -92.597
flat angles P-C4'-P energy: -58.951
tors. eta vs tors. theta energy: -70.192
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: 4, replica: 6
=====================================
Write number: 212
Temperature: 1.050000
Total energy: -823.937423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -823.937423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -823.937423 (E_RNA)
where:
Base-Base interactions energy: -448.674
where: short stacking energy: -277.880
Base-Backbone interact. energy: -1.918
local terms energy: -373.345360
where:
bonds (distance) C4'-P energy: -87.848
bonds (distance) P-C4' energy: -80.924
flat angles C4'-P-C4' energy: -88.694
flat angles P-C4'-P energy: -54.188
tors. eta vs tors. theta energy: -61.692
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 212
Temperature: 1.100000
Total energy: -720.102292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -720.102292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -720.102292 (E_RNA)
where:
Base-Base interactions energy: -350.950
where: short stacking energy: -231.859
Base-Backbone interact. energy: -2.506
local terms energy: -366.646942
where:
bonds (distance) C4'-P energy: -93.227
bonds (distance) P-C4' energy: -78.347
flat angles C4'-P-C4' energy: -94.850
flat angles P-C4'-P energy: -65.994
tors. eta vs tors. theta energy: -34.229
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 212
Temperature: 1.150000
Total energy: -552.103306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.103306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.103306 (E_RNA)
where:
Base-Base interactions energy: -243.144
where: short stacking energy: -161.066
Base-Backbone interact. energy: -1.403
local terms energy: -307.556124
where:
bonds (distance) C4'-P energy: -88.154
bonds (distance) P-C4' energy: -80.152
flat angles C4'-P-C4' energy: -82.425
flat angles P-C4'-P energy: -44.989
tors. eta vs tors. theta energy: -11.837
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: 7
=====================================
Write number: 212
Temperature: 1.200000
Total energy: -508.635395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -508.635395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.635395 (E_RNA)
where:
Base-Base interactions energy: -209.304
where: short stacking energy: -164.083
Base-Backbone interact. energy: -0.293
local terms energy: -299.037717
where:
bonds (distance) C4'-P energy: -80.721
bonds (distance) P-C4' energy: -64.144
flat angles C4'-P-C4' energy: -78.224
flat angles P-C4'-P energy: -56.534
tors. eta vs tors. theta energy: -19.416
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: 5
=====================================
Write number: 212
Temperature: 1.250000
Total energy: -446.016857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -446.016857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -446.016857 (E_RNA)
where:
Base-Base interactions energy: -172.659
where: short stacking energy: -160.555
Base-Backbone interact. energy: 2.262
local terms energy: -275.619427
where:
bonds (distance) C4'-P energy: -70.816
bonds (distance) P-C4' energy: -70.753
flat angles C4'-P-C4' energy: -78.776
flat angles P-C4'-P energy: -39.942
tors. eta vs tors. theta energy: -15.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 212
Temperature: 1.300000
Total energy: -369.355364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.355364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.355364 (E_RNA)
where:
Base-Base interactions energy: -115.802
where: short stacking energy: -101.064
Base-Backbone interact. energy: -0.240
local terms energy: -253.313315
where:
bonds (distance) C4'-P energy: -82.014
bonds (distance) P-C4' energy: -75.136
flat angles C4'-P-C4' energy: -74.266
flat angles P-C4'-P energy: -40.820
tors. eta vs tors. theta energy: 18.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 212
Temperature: 1.350000
Total energy: -357.287668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.287668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.287668 (E_RNA)
where:
Base-Base interactions energy: -108.719
where: short stacking energy: -99.004
Base-Backbone interact. energy: 3.466
local terms energy: -252.034455
where:
bonds (distance) C4'-P energy: -68.859
bonds (distance) P-C4' energy: -85.803
flat angles C4'-P-C4' energy: -64.895
flat angles P-C4'-P energy: -41.830
tors. eta vs tors. theta energy: 9.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 213
Temperature: 0.900000
Total energy: -1257.436169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1257.436169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1257.436169 (E_RNA)
where:
Base-Base interactions energy: -780.390
where: short stacking energy: -431.829
Base-Backbone interact. energy: -1.647
local terms energy: -475.398441
where:
bonds (distance) C4'-P energy: -94.482
bonds (distance) P-C4' energy: -77.903
flat angles C4'-P-C4' energy: -96.850
flat angles P-C4'-P energy: -77.405
tors. eta vs tors. theta energy: -128.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 213
Temperature: 0.950000
Total energy: -1167.679486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1167.679486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1167.679486 (E_RNA)
where:
Base-Base interactions energy: -705.014
where: short stacking energy: -401.055
Base-Backbone interact. energy: -0.800
local terms energy: -461.865485
where:
bonds (distance) C4'-P energy: -83.207
bonds (distance) P-C4' energy: -97.736
flat angles C4'-P-C4' energy: -103.969
flat angles P-C4'-P energy: -59.363
tors. eta vs tors. theta energy: -117.590
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 213
Temperature: 1.000000
Total energy: -911.967174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -911.967174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -911.967174 (E_RNA)
where:
Base-Base interactions energy: -497.613
where: short stacking energy: -275.083
Base-Backbone interact. energy: -3.298
local terms energy: -411.056319
where:
bonds (distance) C4'-P energy: -93.727
bonds (distance) P-C4' energy: -98.314
flat angles C4'-P-C4' energy: -91.236
flat angles P-C4'-P energy: -58.611
tors. eta vs tors. theta energy: -69.169
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 213
Temperature: 1.050000
Total energy: -821.465793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -821.465793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -821.465793 (E_RNA)
where:
Base-Base interactions energy: -463.209
where: short stacking energy: -277.551
Base-Backbone interact. energy: 2.036
local terms energy: -360.292895
where:
bonds (distance) C4'-P energy: -81.467
bonds (distance) P-C4' energy: -77.298
flat angles C4'-P-C4' energy: -84.734
flat angles P-C4'-P energy: -57.534
tors. eta vs tors. theta energy: -59.259
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 213
Temperature: 1.100000
Total energy: -746.037694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -746.037694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -746.037694 (E_RNA)
where:
Base-Base interactions energy: -378.618
where: short stacking energy: -252.486
Base-Backbone interact. energy: -0.721
local terms energy: -366.698377
where:
bonds (distance) C4'-P energy: -90.030
bonds (distance) P-C4' energy: -88.977
flat angles C4'-P-C4' energy: -87.215
flat angles P-C4'-P energy: -44.679
tors. eta vs tors. theta energy: -55.797
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: 8
=====================================
Write number: 213
Temperature: 1.150000
Total energy: -602.745567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -602.745567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -602.745567 (E_RNA)
where:
Base-Base interactions energy: -277.562
where: short stacking energy: -166.142
Base-Backbone interact. energy: 1.649
local terms energy: -326.832813
where:
bonds (distance) C4'-P energy: -82.609
bonds (distance) P-C4' energy: -92.348
flat angles C4'-P-C4' energy: -85.655
flat angles P-C4'-P energy: -52.853
tors. eta vs tors. theta energy: -13.367
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: 7
=====================================
Write number: 213
Temperature: 1.200000
Total energy: -528.262830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.262830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.262830 (E_RNA)
where:
Base-Base interactions energy: -231.223
where: short stacking energy: -176.023
Base-Backbone interact. energy: -1.784
local terms energy: -295.256437
where:
bonds (distance) C4'-P energy: -80.653
bonds (distance) P-C4' energy: -88.748
flat angles C4'-P-C4' energy: -73.151
flat angles P-C4'-P energy: -41.027
tors. eta vs tors. theta energy: -11.678
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 213
Temperature: 1.250000
Total energy: -417.659515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.659515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.659515 (E_RNA)
where:
Base-Base interactions energy: -165.142
where: short stacking energy: -140.713
Base-Backbone interact. energy: -1.423
local terms energy: -251.094208
where:
bonds (distance) C4'-P energy: -61.413
bonds (distance) P-C4' energy: -82.779
flat angles C4'-P-C4' energy: -65.421
flat angles P-C4'-P energy: -44.964
tors. eta vs tors. theta energy: 3.483
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 213
Temperature: 1.300000
Total energy: -375.963185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -375.963185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -375.963185 (E_RNA)
where:
Base-Base interactions energy: -111.379
where: short stacking energy: -107.095
Base-Backbone interact. energy: 0.511
local terms energy: -265.095166
where:
bonds (distance) C4'-P energy: -71.425
bonds (distance) P-C4' energy: -75.024
flat angles C4'-P-C4' energy: -81.454
flat angles P-C4'-P energy: -42.190
tors. eta vs tors. theta energy: 4.998
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 213
Temperature: 1.350000
Total energy: -349.161502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.161502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.161502 (E_RNA)
where:
Base-Base interactions energy: -110.686
where: short stacking energy: -102.868
Base-Backbone interact. energy: 9.427
local terms energy: -247.901750
where:
bonds (distance) C4'-P energy: -76.913
bonds (distance) P-C4' energy: -85.095
flat angles C4'-P-C4' energy: -67.353
flat angles P-C4'-P energy: -34.430
tors. eta vs tors. theta energy: 15.890
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: 214
Temperature: 0.900000
Total energy: -1274.474568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1274.474568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1274.474568 (E_RNA)
where:
Base-Base interactions energy: -770.988
where: short stacking energy: -424.899
Base-Backbone interact. energy: -1.472
local terms energy: -502.014145
where:
bonds (distance) C4'-P energy: -96.457
bonds (distance) P-C4' energy: -96.565
flat angles C4'-P-C4' energy: -109.731
flat angles P-C4'-P energy: -74.451
tors. eta vs tors. theta energy: -124.809
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 214
Temperature: 0.950000
Total energy: -1129.946972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1129.946972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1129.946972 (E_RNA)
where:
Base-Base interactions energy: -670.418
where: short stacking energy: -371.887
Base-Backbone interact. energy: -0.698
local terms energy: -458.830718
where:
bonds (distance) C4'-P energy: -101.222
bonds (distance) P-C4' energy: -81.502
flat angles C4'-P-C4' energy: -92.010
flat angles P-C4'-P energy: -69.272
tors. eta vs tors. theta energy: -114.824
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 214
Temperature: 1.000000
Total energy: -978.125684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -978.125684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -978.125684 (E_RNA)
where:
Base-Base interactions energy: -583.266
where: short stacking energy: -333.129
Base-Backbone interact. energy: -0.534
local terms energy: -394.326107
where:
bonds (distance) C4'-P energy: -86.290
bonds (distance) P-C4' energy: -77.360
flat angles C4'-P-C4' energy: -96.325
flat angles P-C4'-P energy: -54.887
tors. eta vs tors. theta energy: -79.464
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 214
Temperature: 1.050000
Total energy: -780.871423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -780.871423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -780.871423 (E_RNA)
where:
Base-Base interactions energy: -404.267
where: short stacking energy: -250.134
Base-Backbone interact. energy: -1.371
local terms energy: -375.233151
where:
bonds (distance) C4'-P energy: -98.220
bonds (distance) P-C4' energy: -86.932
flat angles C4'-P-C4' energy: -87.766
flat angles P-C4'-P energy: -52.295
tors. eta vs tors. theta energy: -50.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 214
Temperature: 1.100000
Total energy: -714.472316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -714.472316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -714.472316 (E_RNA)
where:
Base-Base interactions energy: -348.821
where: short stacking energy: -261.291
Base-Backbone interact. energy: -1.876
local terms energy: -363.775395
where:
bonds (distance) C4'-P energy: -69.201
bonds (distance) P-C4' energy: -82.831
flat angles C4'-P-C4' energy: -87.792
flat angles P-C4'-P energy: -59.264
tors. eta vs tors. theta energy: -64.687
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: 8
=====================================
Write number: 214
Temperature: 1.150000
Total energy: -542.991182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.991182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.991182 (E_RNA)
where:
Base-Base interactions energy: -221.256
where: short stacking energy: -157.254
Base-Backbone interact. energy: 1.927
local terms energy: -323.661857
where:
bonds (distance) C4'-P energy: -81.030
bonds (distance) P-C4' energy: -82.575
flat angles C4'-P-C4' energy: -87.945
flat angles P-C4'-P energy: -55.481
tors. eta vs tors. theta energy: -16.632
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 214
Temperature: 1.200000
Total energy: -487.588223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.588223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.588223 (E_RNA)
where:
Base-Base interactions energy: -213.067
where: short stacking energy: -147.321
Base-Backbone interact. energy: -0.872
local terms energy: -273.648751
where:
bonds (distance) C4'-P energy: -71.542
bonds (distance) P-C4' energy: -77.131
flat angles C4'-P-C4' energy: -75.353
flat angles P-C4'-P energy: -42.752
tors. eta vs tors. theta energy: -6.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 214
Temperature: 1.250000
Total energy: -411.987303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.987303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.987303 (E_RNA)
where:
Base-Base interactions energy: -142.563
where: short stacking energy: -126.547
Base-Backbone interact. energy: 0.022
local terms energy: -269.445807
where:
bonds (distance) C4'-P energy: -79.482
bonds (distance) P-C4' energy: -90.322
flat angles C4'-P-C4' energy: -73.536
flat angles P-C4'-P energy: -30.521
tors. eta vs tors. theta energy: 4.415
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 214
Temperature: 1.300000
Total energy: -374.353620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -374.353620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -374.353620 (E_RNA)
where:
Base-Base interactions energy: -96.617
where: short stacking energy: -84.760
Base-Backbone interact. energy: 1.114
local terms energy: -278.850791
where:
bonds (distance) C4'-P energy: -93.979
bonds (distance) P-C4' energy: -87.377
flat angles C4'-P-C4' energy: -70.852
flat angles P-C4'-P energy: -36.041
tors. eta vs tors. theta energy: 9.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 214
Temperature: 1.350000
Total energy: -361.548693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.548693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.548693 (E_RNA)
where:
Base-Base interactions energy: -119.729
where: short stacking energy: -102.199
Base-Backbone interact. energy: 0.427
local terms energy: -242.246489
where:
bonds (distance) C4'-P energy: -61.424
bonds (distance) P-C4' energy: -73.781
flat angles C4'-P-C4' energy: -73.078
flat angles P-C4'-P energy: -39.807
tors. eta vs tors. theta energy: 5.843
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: 1
=====================================
Write number: 215
Temperature: 0.900000
Total energy: -1252.696943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1252.696943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1252.696943 (E_RNA)
where:
Base-Base interactions energy: -763.826
where: short stacking energy: -420.853
Base-Backbone interact. energy: -1.293
local terms energy: -487.578253
where:
bonds (distance) C4'-P energy: -87.383
bonds (distance) P-C4' energy: -99.972
flat angles C4'-P-C4' energy: -99.264
flat angles P-C4'-P energy: -71.262
tors. eta vs tors. theta energy: -129.696
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: 2, replica: 4
=====================================
Write number: 215
Temperature: 0.950000
Total energy: -1134.051894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1134.051894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1134.051894 (E_RNA)
where:
Base-Base interactions energy: -682.847
where: short stacking energy: -407.972
Base-Backbone interact. energy: -0.540
local terms energy: -450.664382
where:
bonds (distance) C4'-P energy: -82.277
bonds (distance) P-C4' energy: -96.756
flat angles C4'-P-C4' energy: -96.472
flat angles P-C4'-P energy: -57.150
tors. eta vs tors. theta energy: -118.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 215
Temperature: 1.000000
Total energy: -941.003054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -941.003054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -941.003054 (E_RNA)
where:
Base-Base interactions energy: -534.554
where: short stacking energy: -318.917
Base-Backbone interact. energy: -2.354
local terms energy: -404.094746
where:
bonds (distance) C4'-P energy: -86.495
bonds (distance) P-C4' energy: -92.798
flat angles C4'-P-C4' energy: -82.360
flat angles P-C4'-P energy: -51.035
tors. eta vs tors. theta energy: -91.407
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: 6
=====================================
Write number: 215
Temperature: 1.050000
Total energy: -772.047854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -772.047854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -772.047854 (E_RNA)
where:
Base-Base interactions energy: -416.660
where: short stacking energy: -259.771
Base-Backbone interact. energy: -1.693
local terms energy: -353.694546
where:
bonds (distance) C4'-P energy: -84.121
bonds (distance) P-C4' energy: -100.260
flat angles C4'-P-C4' energy: -79.185
flat angles P-C4'-P energy: -50.898
tors. eta vs tors. theta energy: -39.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 215
Temperature: 1.100000
Total energy: -703.992373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -703.992373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -703.992373 (E_RNA)
where:
Base-Base interactions energy: -352.212
where: short stacking energy: -246.762
Base-Backbone interact. energy: -1.872
local terms energy: -349.908623
where:
bonds (distance) C4'-P energy: -84.036
bonds (distance) P-C4' energy: -86.037
flat angles C4'-P-C4' energy: -82.345
flat angles P-C4'-P energy: -42.709
tors. eta vs tors. theta energy: -54.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 215
Temperature: 1.150000
Total energy: -551.849153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.849153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.849153 (E_RNA)
where:
Base-Base interactions energy: -244.525
where: short stacking energy: -179.055
Base-Backbone interact. energy: -1.257
local terms energy: -306.067359
where:
bonds (distance) C4'-P energy: -69.406
bonds (distance) P-C4' energy: -83.560
flat angles C4'-P-C4' energy: -77.901
flat angles P-C4'-P energy: -52.256
tors. eta vs tors. theta energy: -22.944
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 215
Temperature: 1.200000
Total energy: -500.359677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.359677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.359677 (E_RNA)
where:
Base-Base interactions energy: -200.320
where: short stacking energy: -141.914
Base-Backbone interact. energy: -0.028
local terms energy: -300.011636
where:
bonds (distance) C4'-P energy: -85.104
bonds (distance) P-C4' energy: -79.803
flat angles C4'-P-C4' energy: -84.032
flat angles P-C4'-P energy: -45.178
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: 215
Temperature: 1.250000
Total energy: -443.088217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -443.088217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -443.088217 (E_RNA)
where:
Base-Base interactions energy: -158.614
where: short stacking energy: -128.552
Base-Backbone interact. energy: -0.170
local terms energy: -284.304119
where:
bonds (distance) C4'-P energy: -77.894
bonds (distance) P-C4' energy: -79.638
flat angles C4'-P-C4' energy: -84.264
flat angles P-C4'-P energy: -38.386
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: 5
=====================================
Write number: 215
Temperature: 1.300000
Total energy: -372.495238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -372.495238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -372.495238 (E_RNA)
where:
Base-Base interactions energy: -111.721
where: short stacking energy: -108.408
Base-Backbone interact. energy: -1.621
local terms energy: -259.153624
where:
bonds (distance) C4'-P energy: -82.562
bonds (distance) P-C4' energy: -80.348
flat angles C4'-P-C4' energy: -68.493
flat angles P-C4'-P energy: -39.046
tors. eta vs tors. theta energy: 11.297
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: 9
=====================================
Write number: 215
Temperature: 1.350000
Total energy: -376.635770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -376.635770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -376.635770 (E_RNA)
where:
Base-Base interactions energy: -136.455
where: short stacking energy: -117.603
Base-Backbone interact. energy: -0.678
local terms energy: -239.502534
where:
bonds (distance) C4'-P energy: -55.836
bonds (distance) P-C4' energy: -72.662
flat angles C4'-P-C4' energy: -77.835
flat angles P-C4'-P energy: -33.103
tors. eta vs tors. theta energy: -0.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 216
Temperature: 0.900000
Total energy: -1239.090659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1239.090659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1239.090659 (E_RNA)
where:
Base-Base interactions energy: -760.331
where: short stacking energy: -422.251
Base-Backbone interact. energy: -2.116
local terms energy: -476.643136
where:
bonds (distance) C4'-P energy: -92.353
bonds (distance) P-C4' energy: -90.693
flat angles C4'-P-C4' energy: -106.496
flat angles P-C4'-P energy: -67.559
tors. eta vs tors. theta energy: -119.542
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 216
Temperature: 0.950000
Total energy: -1133.848821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1133.848821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1133.848821 (E_RNA)
where:
Base-Base interactions energy: -669.643
where: short stacking energy: -415.547
Base-Backbone interact. energy: -0.262
local terms energy: -463.943148
where:
bonds (distance) C4'-P energy: -79.257
bonds (distance) P-C4' energy: -83.049
flat angles C4'-P-C4' energy: -110.949
flat angles P-C4'-P energy: -67.411
tors. eta vs tors. theta energy: -123.277
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: 216
Temperature: 1.000000
Total energy: -972.940619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -972.940619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -972.940619 (E_RNA)
where:
Base-Base interactions energy: -564.046
where: short stacking energy: -369.691
Base-Backbone interact. energy: -0.006
local terms energy: -408.889288
where:
bonds (distance) C4'-P energy: -79.421
bonds (distance) P-C4' energy: -80.529
flat angles C4'-P-C4' energy: -89.237
flat angles P-C4'-P energy: -61.547
tors. eta vs tors. theta energy: -98.155
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: 6
=====================================
Write number: 216
Temperature: 1.050000
Total energy: -783.714756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -783.714756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -783.714756 (E_RNA)
where:
Base-Base interactions energy: -399.313
where: short stacking energy: -278.793
Base-Backbone interact. energy: 0.946
local terms energy: -385.347770
where:
bonds (distance) C4'-P energy: -72.996
bonds (distance) P-C4' energy: -92.867
flat angles C4'-P-C4' energy: -94.248
flat angles P-C4'-P energy: -54.506
tors. eta vs tors. theta energy: -70.730
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: 216
Temperature: 1.100000
Total energy: -698.344939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -698.344939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -698.344939 (E_RNA)
where:
Base-Base interactions energy: -343.507
where: short stacking energy: -238.461
Base-Backbone interact. energy: 2.893
local terms energy: -357.730592
where:
bonds (distance) C4'-P energy: -84.652
bonds (distance) P-C4' energy: -89.069
flat angles C4'-P-C4' energy: -87.122
flat angles P-C4'-P energy: -49.460
tors. eta vs tors. theta energy: -47.427
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: 216
Temperature: 1.150000
Total energy: -556.041780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.041780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -556.041780 (E_RNA)
where:
Base-Base interactions energy: -218.096
where: short stacking energy: -148.720
Base-Backbone interact. energy: 0.104
local terms energy: -338.049402
where:
bonds (distance) C4'-P energy: -96.281
bonds (distance) P-C4' energy: -86.041
flat angles C4'-P-C4' energy: -88.235
flat angles P-C4'-P energy: -58.645
tors. eta vs tors. theta energy: -8.847
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 216
Temperature: 1.200000
Total energy: -531.151328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.151328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.151328 (E_RNA)
where:
Base-Base interactions energy: -241.955
where: short stacking energy: -181.917
Base-Backbone interact. energy: 2.766
local terms energy: -291.962124
where:
bonds (distance) C4'-P energy: -69.500
bonds (distance) P-C4' energy: -89.500
flat angles C4'-P-C4' energy: -63.837
flat angles P-C4'-P energy: -52.707
tors. eta vs tors. theta energy: -16.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 216
Temperature: 1.250000
Total energy: -422.905882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -422.905882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -422.905882 (E_RNA)
where:
Base-Base interactions energy: -147.873
where: short stacking energy: -145.214
Base-Backbone interact. energy: -0.858
local terms energy: -274.175164
where:
bonds (distance) C4'-P energy: -80.539
bonds (distance) P-C4' energy: -69.161
flat angles C4'-P-C4' energy: -76.413
flat angles P-C4'-P energy: -40.877
tors. eta vs tors. theta energy: -7.185
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 216
Temperature: 1.300000
Total energy: -361.802894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.802894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.802894 (E_RNA)
where:
Base-Base interactions energy: -101.822
where: short stacking energy: -88.282
Base-Backbone interact. energy: -1.163
local terms energy: -258.817135
where:
bonds (distance) C4'-P energy: -66.791
bonds (distance) P-C4' energy: -81.427
flat angles C4'-P-C4' energy: -62.398
flat angles P-C4'-P energy: -43.539
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: 10, replica: 5
=====================================
Write number: 216
Temperature: 1.350000
Total energy: -359.989618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.989618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.989618 (E_RNA)
where:
Base-Base interactions energy: -97.615
where: short stacking energy: -87.043
Base-Backbone interact. energy: -1.008
local terms energy: -261.366444
where:
bonds (distance) C4'-P energy: -75.995
bonds (distance) P-C4' energy: -81.628
flat angles C4'-P-C4' energy: -77.796
flat angles P-C4'-P energy: -42.428
tors. eta vs tors. theta energy: 16.480
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 217
Temperature: 0.900000
Total energy: -1209.347120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1209.347120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1209.347120 (E_RNA)
where:
Base-Base interactions energy: -738.814
where: short stacking energy: -433.152
Base-Backbone interact. energy: -3.368
local terms energy: -467.165300
where:
bonds (distance) C4'-P energy: -85.336
bonds (distance) P-C4' energy: -96.339
flat angles C4'-P-C4' energy: -93.063
flat angles P-C4'-P energy: -69.955
tors. eta vs tors. theta energy: -122.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 217
Temperature: 0.950000
Total energy: -1130.507064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1130.507064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1130.507064 (E_RNA)
where:
Base-Base interactions energy: -666.816
where: short stacking energy: -418.919
Base-Backbone interact. energy: -0.054
local terms energy: -463.636988
where:
bonds (distance) C4'-P energy: -86.310
bonds (distance) P-C4' energy: -89.920
flat angles C4'-P-C4' energy: -100.239
flat angles P-C4'-P energy: -56.361
tors. eta vs tors. theta energy: -130.807
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 217
Temperature: 1.000000
Total energy: -978.010510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -978.010510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -978.010510 (E_RNA)
where:
Base-Base interactions energy: -590.954
where: short stacking energy: -361.495
Base-Backbone interact. energy: -1.482
local terms energy: -385.574346
where:
bonds (distance) C4'-P energy: -69.750
bonds (distance) P-C4' energy: -88.431
flat angles C4'-P-C4' energy: -82.163
flat angles P-C4'-P energy: -49.821
tors. eta vs tors. theta energy: -95.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 217
Temperature: 1.050000
Total energy: -731.871461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -731.871461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -731.871461 (E_RNA)
where:
Base-Base interactions energy: -375.938
where: short stacking energy: -231.555
Base-Backbone interact. energy: 1.624
local terms energy: -357.557111
where:
bonds (distance) C4'-P energy: -81.523
bonds (distance) P-C4' energy: -87.387
flat angles C4'-P-C4' energy: -80.604
flat angles P-C4'-P energy: -55.931
tors. eta vs tors. theta energy: -52.111
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 217
Temperature: 1.100000
Total energy: -681.314429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -681.314429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -681.314429 (E_RNA)
where:
Base-Base interactions energy: -330.785
where: short stacking energy: -226.077
Base-Backbone interact. energy: -0.197
local terms energy: -350.331667
where:
bonds (distance) C4'-P energy: -84.410
bonds (distance) P-C4' energy: -85.782
flat angles C4'-P-C4' energy: -83.288
flat angles P-C4'-P energy: -62.316
tors. eta vs tors. theta energy: -34.535
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 217
Temperature: 1.150000
Total energy: -607.122920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -607.122920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -607.122920 (E_RNA)
where:
Base-Base interactions energy: -274.025
where: short stacking energy: -189.770
Base-Backbone interact. energy: 0.699
local terms energy: -333.797099
where:
bonds (distance) C4'-P energy: -81.075
bonds (distance) P-C4' energy: -83.083
flat angles C4'-P-C4' energy: -80.760
flat angles P-C4'-P energy: -55.321
tors. eta vs tors. theta energy: -33.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 217
Temperature: 1.200000
Total energy: -548.155416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.155416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.155416 (E_RNA)
where:
Base-Base interactions energy: -236.029
where: short stacking energy: -156.735
Base-Backbone interact. energy: -2.231
local terms energy: -309.895869
where:
bonds (distance) C4'-P energy: -87.459
bonds (distance) P-C4' energy: -81.882
flat angles C4'-P-C4' energy: -78.015
flat angles P-C4'-P energy: -51.108
tors. eta vs tors. theta energy: -11.432
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 217
Temperature: 1.250000
Total energy: -418.317654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.317654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.317654 (E_RNA)
where:
Base-Base interactions energy: -144.312
where: short stacking energy: -135.136
Base-Backbone interact. energy: -1.916
local terms energy: -272.089821
where:
bonds (distance) C4'-P energy: -86.706
bonds (distance) P-C4' energy: -87.999
flat angles C4'-P-C4' energy: -78.435
flat angles P-C4'-P energy: -26.349
tors. eta vs tors. theta energy: 7.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 217
Temperature: 1.300000
Total energy: -364.695663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.695663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.695663 (E_RNA)
where:
Base-Base interactions energy: -120.417
where: short stacking energy: -104.223
Base-Backbone interact. energy: -1.201
local terms energy: -243.077838
where:
bonds (distance) C4'-P energy: -83.325
bonds (distance) P-C4' energy: -85.367
flat angles C4'-P-C4' energy: -55.453
flat angles P-C4'-P energy: -30.740
tors. eta vs tors. theta energy: 11.807
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 217
Temperature: 1.350000
Total energy: -348.943567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.943567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.943567 (E_RNA)
where:
Base-Base interactions energy: -113.139
where: short stacking energy: -86.791
Base-Backbone interact. energy: -1.164
local terms energy: -234.640761
where:
bonds (distance) C4'-P energy: -72.785
bonds (distance) P-C4' energy: -63.227
flat angles C4'-P-C4' energy: -63.702
flat angles P-C4'-P energy: -45.381
tors. eta vs tors. theta energy: 10.455
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 218
Temperature: 0.900000
Total energy: -1180.220678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1180.220678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1180.220678 (E_RNA)
where:
Base-Base interactions energy: -712.617
where: short stacking energy: -371.726
Base-Backbone interact. energy: -2.201
local terms energy: -465.402662
where:
bonds (distance) C4'-P energy: -87.646
bonds (distance) P-C4' energy: -99.593
flat angles C4'-P-C4' energy: -105.941
flat angles P-C4'-P energy: -69.870
tors. eta vs tors. theta energy: -102.352
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: 4
=====================================
Write number: 218
Temperature: 0.950000
Total energy: -1087.357735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1087.357735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1087.357735 (E_RNA)
where:
Base-Base interactions energy: -642.438
where: short stacking energy: -398.339
Base-Backbone interact. energy: 1.771
local terms energy: -446.690953
where:
bonds (distance) C4'-P energy: -88.019
bonds (distance) P-C4' energy: -95.805
flat angles C4'-P-C4' energy: -95.877
flat angles P-C4'-P energy: -57.281
tors. eta vs tors. theta energy: -109.709
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 218
Temperature: 1.000000
Total energy: -901.412039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -901.412039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -901.412039 (E_RNA)
where:
Base-Base interactions energy: -506.795
where: short stacking energy: -329.386
Base-Backbone interact. energy: -2.908
local terms energy: -391.708911
where:
bonds (distance) C4'-P energy: -57.316
bonds (distance) P-C4' energy: -89.711
flat angles C4'-P-C4' energy: -78.310
flat angles P-C4'-P energy: -60.367
tors. eta vs tors. theta energy: -106.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 218
Temperature: 1.050000
Total energy: -816.347960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -816.347960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -816.347960 (E_RNA)
where:
Base-Base interactions energy: -430.640
where: short stacking energy: -250.592
Base-Backbone interact. energy: 0.080
local terms energy: -385.787716
where:
bonds (distance) C4'-P energy: -86.438
bonds (distance) P-C4' energy: -95.542
flat angles C4'-P-C4' energy: -98.548
flat angles P-C4'-P energy: -47.153
tors. eta vs tors. theta energy: -58.107
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: 7
=====================================
Write number: 218
Temperature: 1.100000
Total energy: -648.441792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -648.441792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -648.441792 (E_RNA)
where:
Base-Base interactions energy: -314.743
where: short stacking energy: -215.111
Base-Backbone interact. energy: -0.624
local terms energy: -333.074857
where:
bonds (distance) C4'-P energy: -80.263
bonds (distance) P-C4' energy: -84.682
flat angles C4'-P-C4' energy: -84.422
flat angles P-C4'-P energy: -37.586
tors. eta vs tors. theta energy: -46.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 218
Temperature: 1.150000
Total energy: -652.535217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -652.535217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -652.535217 (E_RNA)
where:
Base-Base interactions energy: -315.417
where: short stacking energy: -242.864
Base-Backbone interact. energy: -0.964
local terms energy: -336.153670
where:
bonds (distance) C4'-P energy: -85.259
bonds (distance) P-C4' energy: -94.187
flat angles C4'-P-C4' energy: -74.051
flat angles P-C4'-P energy: -38.693
tors. eta vs tors. theta energy: -43.963
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 218
Temperature: 1.200000
Total energy: -505.172867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.172867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.172867 (E_RNA)
where:
Base-Base interactions energy: -214.481
where: short stacking energy: -134.625
Base-Backbone interact. energy: 1.370
local terms energy: -292.061619
where:
bonds (distance) C4'-P energy: -80.564
bonds (distance) P-C4' energy: -79.691
flat angles C4'-P-C4' energy: -80.805
flat angles P-C4'-P energy: -40.105
tors. eta vs tors. theta energy: -10.896
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: 9
=====================================
Write number: 218
Temperature: 1.250000
Total energy: -424.197717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -424.197717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -424.197717 (E_RNA)
where:
Base-Base interactions energy: -151.337
where: short stacking energy: -151.352
Base-Backbone interact. energy: 1.285
local terms energy: -274.145590
where:
bonds (distance) C4'-P energy: -79.917
bonds (distance) P-C4' energy: -94.568
flat angles C4'-P-C4' energy: -68.275
flat angles P-C4'-P energy: -30.453
tors. eta vs tors. theta energy: -0.933
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 218
Temperature: 1.300000
Total energy: -397.675091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -397.675091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -397.675091 (E_RNA)
where:
Base-Base interactions energy: -137.636
where: short stacking energy: -128.343
Base-Backbone interact. energy: 0.365
local terms energy: -260.403891
where:
bonds (distance) C4'-P energy: -74.931
bonds (distance) P-C4' energy: -81.317
flat angles C4'-P-C4' energy: -58.544
flat angles P-C4'-P energy: -47.796
tors. eta vs tors. theta energy: 2.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 218
Temperature: 1.350000
Total energy: -358.695595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.695595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.695595 (E_RNA)
where:
Base-Base interactions energy: -109.153
where: short stacking energy: -108.405
Base-Backbone interact. energy: -0.355
local terms energy: -249.188223
where:
bonds (distance) C4'-P energy: -70.021
bonds (distance) P-C4' energy: -91.381
flat angles C4'-P-C4' energy: -57.875
flat angles P-C4'-P energy: -49.298
tors. eta vs tors. theta energy: 19.387
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: 1
=====================================
Write number: 219
Temperature: 0.900000
Total energy: -1162.142313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1162.142313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1162.142313 (E_RNA)
where:
Base-Base interactions energy: -702.636
where: short stacking energy: -386.227
Base-Backbone interact. energy: -1.345
local terms energy: -458.161016
where:
bonds (distance) C4'-P energy: -92.938
bonds (distance) P-C4' energy: -101.101
flat angles C4'-P-C4' energy: -99.193
flat angles P-C4'-P energy: -63.413
tors. eta vs tors. theta energy: -101.516
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: 4
=====================================
Write number: 219
Temperature: 0.950000
Total energy: -1063.440668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1063.440668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1063.440668 (E_RNA)
where:
Base-Base interactions energy: -618.109
where: short stacking energy: -385.279
Base-Backbone interact. energy: -0.963
local terms energy: -444.368501
where:
bonds (distance) C4'-P energy: -89.865
bonds (distance) P-C4' energy: -99.211
flat angles C4'-P-C4' energy: -93.026
flat angles P-C4'-P energy: -58.601
tors. eta vs tors. theta energy: -103.664
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 219
Temperature: 1.000000
Total energy: -872.246244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -872.246244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -872.246244 (E_RNA)
where:
Base-Base interactions energy: -460.108
where: short stacking energy: -296.203
Base-Backbone interact. energy: -1.312
local terms energy: -410.825588
where:
bonds (distance) C4'-P energy: -82.198
bonds (distance) P-C4' energy: -92.948
flat angles C4'-P-C4' energy: -106.966
flat angles P-C4'-P energy: -57.448
tors. eta vs tors. theta energy: -71.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 219
Temperature: 1.050000
Total energy: -845.958100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -845.958100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -845.958100 (E_RNA)
where:
Base-Base interactions energy: -448.893
where: short stacking energy: -283.850
Base-Backbone interact. energy: 6.912
local terms energy: -403.976432
where:
bonds (distance) C4'-P energy: -96.830
bonds (distance) P-C4' energy: -91.692
flat angles C4'-P-C4' energy: -92.239
flat angles P-C4'-P energy: -60.376
tors. eta vs tors. theta energy: -62.840
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 219
Temperature: 1.100000
Total energy: -635.542934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -635.542934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -635.542934 (E_RNA)
where:
Base-Base interactions energy: -298.798
where: short stacking energy: -241.024
Base-Backbone interact. energy: -2.245
local terms energy: -334.499916
where:
bonds (distance) C4'-P energy: -81.884
bonds (distance) P-C4' energy: -90.967
flat angles C4'-P-C4' energy: -78.419
flat angles P-C4'-P energy: -42.913
tors. eta vs tors. theta energy: -40.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 219
Temperature: 1.150000
Total energy: -658.377670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -658.377670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -658.377670 (E_RNA)
where:
Base-Base interactions energy: -321.789
where: short stacking energy: -229.821
Base-Backbone interact. energy: -1.548
local terms energy: -335.040471
where:
bonds (distance) C4'-P energy: -85.618
bonds (distance) P-C4' energy: -80.846
flat angles C4'-P-C4' energy: -80.019
flat angles P-C4'-P energy: -40.448
tors. eta vs tors. theta energy: -48.109
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: 8
=====================================
Write number: 219
Temperature: 1.200000
Total energy: -488.384141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.384141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.384141 (E_RNA)
where:
Base-Base interactions energy: -208.803
where: short stacking energy: -142.670
Base-Backbone interact. energy: -0.557
local terms energy: -279.024228
where:
bonds (distance) C4'-P energy: -74.411
bonds (distance) P-C4' energy: -81.670
flat angles C4'-P-C4' energy: -75.794
flat angles P-C4'-P energy: -43.535
tors. eta vs tors. theta energy: -3.614
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: 9
=====================================
Write number: 219
Temperature: 1.250000
Total energy: -411.656180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.656180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.656180 (E_RNA)
where:
Base-Base interactions energy: -151.143
where: short stacking energy: -124.436
Base-Backbone interact. energy: 0.130
local terms energy: -260.643050
where:
bonds (distance) C4'-P energy: -65.165
bonds (distance) P-C4' energy: -80.012
flat angles C4'-P-C4' energy: -65.629
flat angles P-C4'-P energy: -41.782
tors. eta vs tors. theta energy: -8.055
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: 5
=====================================
Write number: 219
Temperature: 1.300000
Total energy: -387.623220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -387.623220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -387.623220 (E_RNA)
where:
Base-Base interactions energy: -144.925
where: short stacking energy: -128.936
Base-Backbone interact. energy: 2.838
local terms energy: -245.536358
where:
bonds (distance) C4'-P energy: -74.244
bonds (distance) P-C4' energy: -80.761
flat angles C4'-P-C4' energy: -52.908
flat angles P-C4'-P energy: -37.895
tors. eta vs tors. theta energy: 0.271
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: 10
=====================================
Write number: 219
Temperature: 1.350000
Total energy: -338.267059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.267059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.267059 (E_RNA)
where:
Base-Base interactions energy: -129.018
where: short stacking energy: -96.382
Base-Backbone interact. energy: -0.419
local terms energy: -208.830059
where:
bonds (distance) C4'-P energy: -69.060
bonds (distance) P-C4' energy: -74.770
flat angles C4'-P-C4' energy: -60.087
flat angles P-C4'-P energy: -28.698
tors. eta vs tors. theta energy: 23.785
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 220
Temperature: 0.900000
Total energy: -1144.460654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1144.460654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1144.460654 (E_RNA)
where:
Base-Base interactions energy: -678.046
where: short stacking energy: -362.637
Base-Backbone interact. energy: 0.312
local terms energy: -466.726975
where:
bonds (distance) C4'-P energy: -91.686
bonds (distance) P-C4' energy: -101.913
flat angles C4'-P-C4' energy: -105.207
flat angles P-C4'-P energy: -64.666
tors. eta vs tors. theta energy: -103.255
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: 4
=====================================
Write number: 220
Temperature: 0.950000
Total energy: -1125.605233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1125.605233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1125.605233 (E_RNA)
where:
Base-Base interactions energy: -638.347
where: short stacking energy: -372.802
Base-Backbone interact. energy: -1.065
local terms energy: -486.193583
where:
bonds (distance) C4'-P energy: -100.219
bonds (distance) P-C4' energy: -96.906
flat angles C4'-P-C4' energy: -107.636
flat angles P-C4'-P energy: -64.025
tors. eta vs tors. theta energy: -117.407
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: 3, replica: 6
=====================================
Write number: 220
Temperature: 1.000000
Total energy: -884.701371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -884.701371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -884.701371 (E_RNA)
where:
Base-Base interactions energy: -487.632
where: short stacking energy: -276.021
Base-Backbone interact. energy: 0.491
local terms energy: -397.559858
where:
bonds (distance) C4'-P energy: -83.223
bonds (distance) P-C4' energy: -97.471
flat angles C4'-P-C4' energy: -92.476
flat angles P-C4'-P energy: -66.046
tors. eta vs tors. theta energy: -58.345
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 220
Temperature: 1.050000
Total energy: -816.800757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -816.800757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -816.800757 (E_RNA)
where:
Base-Base interactions energy: -409.578
where: short stacking energy: -258.626
Base-Backbone interact. energy: -1.167
local terms energy: -406.055617
where:
bonds (distance) C4'-P energy: -86.012
bonds (distance) P-C4' energy: -96.741
flat angles C4'-P-C4' energy: -88.313
flat angles P-C4'-P energy: -64.224
tors. eta vs tors. theta energy: -70.765
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: 5, replica: 7
=====================================
Write number: 220
Temperature: 1.100000
Total energy: -639.753329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -639.753329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -639.753329 (E_RNA)
where:
Base-Base interactions energy: -289.722
where: short stacking energy: -219.723
Base-Backbone interact. energy: -0.624
local terms energy: -349.408076
where:
bonds (distance) C4'-P energy: -91.422
bonds (distance) P-C4' energy: -98.026
flat angles C4'-P-C4' energy: -74.507
flat angles P-C4'-P energy: -45.468
tors. eta vs tors. theta energy: -39.984
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 220
Temperature: 1.150000
Total energy: -601.122641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -601.122641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -601.122641 (E_RNA)
where:
Base-Base interactions energy: -263.745
where: short stacking energy: -191.099
Base-Backbone interact. energy: 1.222
local terms energy: -338.599629
where:
bonds (distance) C4'-P energy: -74.969
bonds (distance) P-C4' energy: -91.294
flat angles C4'-P-C4' energy: -74.193
flat angles P-C4'-P energy: -50.044
tors. eta vs tors. theta energy: -48.100
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: 8
=====================================
Write number: 220
Temperature: 1.200000
Total energy: -518.212777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.212777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.212777 (E_RNA)
where:
Base-Base interactions energy: -217.171
where: short stacking energy: -170.016
Base-Backbone interact. energy: -1.396
local terms energy: -299.645776
where:
bonds (distance) C4'-P energy: -89.316
bonds (distance) P-C4' energy: -71.867
flat angles C4'-P-C4' energy: -68.642
flat angles P-C4'-P energy: -55.601
tors. eta vs tors. theta energy: -14.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 220
Temperature: 1.250000
Total energy: -408.265494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -408.265494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -408.265494 (E_RNA)
where:
Base-Base interactions energy: -133.954
where: short stacking energy: -125.285
Base-Backbone interact. energy: 0.676
local terms energy: -274.987865
where:
bonds (distance) C4'-P energy: -92.135
bonds (distance) P-C4' energy: -76.306
flat angles C4'-P-C4' energy: -71.320
flat angles P-C4'-P energy: -37.943
tors. eta vs tors. theta energy: 2.717
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 220
Temperature: 1.300000
Total energy: -369.996759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.996759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.996759 (E_RNA)
where:
Base-Base interactions energy: -106.078
where: short stacking energy: -92.470
Base-Backbone interact. energy: 0.601
local terms energy: -264.520258
where:
bonds (distance) C4'-P energy: -92.317
bonds (distance) P-C4' energy: -72.699
flat angles C4'-P-C4' energy: -69.957
flat angles P-C4'-P energy: -47.721
tors. eta vs tors. theta energy: 18.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 220
Temperature: 1.350000
Total energy: -346.784229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.784229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.784229 (E_RNA)
where:
Base-Base interactions energy: -90.868
where: short stacking energy: -70.354
Base-Backbone interact. energy: -0.328
local terms energy: -255.587809
where:
bonds (distance) C4'-P energy: -89.585
bonds (distance) P-C4' energy: -84.068
flat angles C4'-P-C4' energy: -66.744
flat angles P-C4'-P energy: -31.398
tors. eta vs tors. theta energy: 16.207
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: 1
=====================================
Write number: 221
Temperature: 0.900000
Total energy: -1178.290209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1178.290209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1178.290209 (E_RNA)
where:
Base-Base interactions energy: -711.068
where: short stacking energy: -375.111
Base-Backbone interact. energy: 0.567
local terms energy: -467.788638
where:
bonds (distance) C4'-P energy: -84.612
bonds (distance) P-C4' energy: -100.300
flat angles C4'-P-C4' energy: -107.544
flat angles P-C4'-P energy: -72.058
tors. eta vs tors. theta energy: -103.275
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: 4
=====================================
Write number: 221
Temperature: 0.950000
Total energy: -1133.154186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1133.154186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1133.154186 (E_RNA)
where:
Base-Base interactions energy: -662.860
where: short stacking energy: -407.100
Base-Backbone interact. energy: 0.206
local terms energy: -470.499504
where:
bonds (distance) C4'-P energy: -81.383
bonds (distance) P-C4' energy: -97.894
flat angles C4'-P-C4' energy: -101.221
flat angles P-C4'-P energy: -67.194
tors. eta vs tors. theta energy: -122.807
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 221
Temperature: 1.000000
Total energy: -938.663786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -938.663786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -938.663786 (E_RNA)
where:
Base-Base interactions energy: -502.850
where: short stacking energy: -304.314
Base-Backbone interact. energy: -0.301
local terms energy: -435.513017
where:
bonds (distance) C4'-P energy: -90.060
bonds (distance) P-C4' energy: -97.128
flat angles C4'-P-C4' energy: -97.813
flat angles P-C4'-P energy: -61.162
tors. eta vs tors. theta energy: -89.350
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: 2
=====================================
Write number: 221
Temperature: 1.050000
Total energy: -827.453186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -827.453186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -827.453186 (E_RNA)
where:
Base-Base interactions energy: -457.615
where: short stacking energy: -270.607
Base-Backbone interact. energy: -0.660
local terms energy: -369.177695
where:
bonds (distance) C4'-P energy: -86.332
bonds (distance) P-C4' energy: -86.549
flat angles C4'-P-C4' energy: -80.496
flat angles P-C4'-P energy: -59.944
tors. eta vs tors. theta energy: -55.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 221
Temperature: 1.100000
Total energy: -622.251536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -622.251536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -622.251536 (E_RNA)
where:
Base-Base interactions energy: -285.628
where: short stacking energy: -209.064
Base-Backbone interact. energy: -0.855
local terms energy: -335.768735
where:
bonds (distance) C4'-P energy: -89.899
bonds (distance) P-C4' energy: -80.356
flat angles C4'-P-C4' energy: -81.913
flat angles P-C4'-P energy: -46.362
tors. eta vs tors. theta energy: -37.239
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 221
Temperature: 1.150000
Total energy: -593.148699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -593.148699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -593.148699 (E_RNA)
where:
Base-Base interactions energy: -239.418
where: short stacking energy: -176.008
Base-Backbone interact. energy: 1.156
local terms energy: -354.885942
where:
bonds (distance) C4'-P energy: -81.174
bonds (distance) P-C4' energy: -96.143
flat angles C4'-P-C4' energy: -93.611
flat angles P-C4'-P energy: -54.957
tors. eta vs tors. theta energy: -29.001
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 221
Temperature: 1.200000
Total energy: -495.732660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.732660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.732660 (E_RNA)
where:
Base-Base interactions energy: -183.314
where: short stacking energy: -138.164
Base-Backbone interact. energy: -1.367
local terms energy: -311.051869
where:
bonds (distance) C4'-P energy: -83.343
bonds (distance) P-C4' energy: -93.772
flat angles C4'-P-C4' energy: -74.341
flat angles P-C4'-P energy: -51.054
tors. eta vs tors. theta energy: -8.541
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 221
Temperature: 1.250000
Total energy: -401.636457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -401.636457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -401.636457 (E_RNA)
where:
Base-Base interactions energy: -125.873
where: short stacking energy: -112.139
Base-Backbone interact. energy: 1.291
local terms energy: -277.053799
where:
bonds (distance) C4'-P energy: -79.669
bonds (distance) P-C4' energy: -86.524
flat angles C4'-P-C4' energy: -80.638
flat angles P-C4'-P energy: -29.214
tors. eta vs tors. theta energy: -1.008
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: 221
Temperature: 1.300000
Total energy: -363.408812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.408812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.408812 (E_RNA)
where:
Base-Base interactions energy: -112.228
where: short stacking energy: -96.872
Base-Backbone interact. energy: -0.112
local terms energy: -251.068916
where:
bonds (distance) C4'-P energy: -65.949
bonds (distance) P-C4' energy: -90.918
flat angles C4'-P-C4' energy: -63.527
flat angles P-C4'-P energy: -42.833
tors. eta vs tors. theta energy: 12.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 221
Temperature: 1.350000
Total energy: -363.918643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.918643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.918643 (E_RNA)
where:
Base-Base interactions energy: -121.109
where: short stacking energy: -117.511
Base-Backbone interact. energy: -0.299
local terms energy: -242.510111
where:
bonds (distance) C4'-P energy: -69.602
bonds (distance) P-C4' energy: -78.939
flat angles C4'-P-C4' energy: -74.204
flat angles P-C4'-P energy: -30.769
tors. eta vs tors. theta energy: 11.004
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: 1, replica: 1
=====================================
Write number: 222
Temperature: 0.900000
Total energy: -1167.217027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1167.217027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1167.217027 (E_RNA)
where:
Base-Base interactions energy: -721.971
where: short stacking energy: -373.125
Base-Backbone interact. energy: -3.619
local terms energy: -441.627073
where:
bonds (distance) C4'-P energy: -95.153
bonds (distance) P-C4' energy: -83.027
flat angles C4'-P-C4' energy: -95.884
flat angles P-C4'-P energy: -70.172
tors. eta vs tors. theta energy: -97.391
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 222
Temperature: 0.950000
Total energy: -1145.928929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1145.928929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1145.928929 (E_RNA)
where:
Base-Base interactions energy: -657.630
where: short stacking energy: -397.425
Base-Backbone interact. energy: -0.256
local terms energy: -488.043000
where:
bonds (distance) C4'-P energy: -92.966
bonds (distance) P-C4' energy: -94.851
flat angles C4'-P-C4' energy: -105.539
flat angles P-C4'-P energy: -70.089
tors. eta vs tors. theta energy: -124.598
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: 6
=====================================
Write number: 222
Temperature: 1.000000
Total energy: -889.850102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -889.850102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -889.850102 (E_RNA)
where:
Base-Base interactions energy: -505.926
where: short stacking energy: -281.959
Base-Backbone interact. energy: -1.124
local terms energy: -382.799949
where:
bonds (distance) C4'-P energy: -87.056
bonds (distance) P-C4' energy: -88.781
flat angles C4'-P-C4' energy: -79.276
flat angles P-C4'-P energy: -57.943
tors. eta vs tors. theta energy: -69.744
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 222
Temperature: 1.050000
Total energy: -823.031917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -823.031917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -823.031917 (E_RNA)
where:
Base-Base interactions energy: -429.534
where: short stacking energy: -265.354
Base-Backbone interact. energy: -3.787
local terms energy: -389.711756
where:
bonds (distance) C4'-P energy: -92.640
bonds (distance) P-C4' energy: -86.559
flat angles C4'-P-C4' energy: -93.306
flat angles P-C4'-P energy: -58.180
tors. eta vs tors. theta energy: -59.028
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: 7
=====================================
Write number: 222
Temperature: 1.100000
Total energy: -611.515439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -611.515439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -611.515439 (E_RNA)
where:
Base-Base interactions energy: -298.213
where: short stacking energy: -196.380
Base-Backbone interact. energy: 2.069
local terms energy: -315.371689
where:
bonds (distance) C4'-P energy: -83.404
bonds (distance) P-C4' energy: -88.222
flat angles C4'-P-C4' energy: -77.630
flat angles P-C4'-P energy: -44.486
tors. eta vs tors. theta energy: -21.630
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: 3
=====================================
Write number: 222
Temperature: 1.150000
Total energy: -624.296573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -624.296573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -624.296573 (E_RNA)
where:
Base-Base interactions energy: -290.353
where: short stacking energy: -216.158
Base-Backbone interact. energy: -0.810
local terms energy: -333.133123
where:
bonds (distance) C4'-P energy: -88.291
bonds (distance) P-C4' energy: -88.959
flat angles C4'-P-C4' energy: -79.544
flat angles P-C4'-P energy: -49.891
tors. eta vs tors. theta energy: -26.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 222
Temperature: 1.200000
Total energy: -515.026219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.026219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.026219 (E_RNA)
where:
Base-Base interactions energy: -234.900
where: short stacking energy: -157.186
Base-Backbone interact. energy: -2.223
local terms energy: -277.903158
where:
bonds (distance) C4'-P energy: -79.219
bonds (distance) P-C4' energy: -88.359
flat angles C4'-P-C4' energy: -69.223
flat angles P-C4'-P energy: -35.098
tors. eta vs tors. theta energy: -6.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 222
Temperature: 1.250000
Total energy: -424.664164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -424.664164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -424.664164 (E_RNA)
where:
Base-Base interactions energy: -151.533
where: short stacking energy: -142.581
Base-Backbone interact. energy: -0.676
local terms energy: -272.454689
where:
bonds (distance) C4'-P energy: -70.910
bonds (distance) P-C4' energy: -78.302
flat angles C4'-P-C4' energy: -74.885
flat angles P-C4'-P energy: -40.269
tors. eta vs tors. theta energy: -8.089
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: 9, replica: 10
=====================================
Write number: 222
Temperature: 1.300000
Total energy: -402.829823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -402.829823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -402.829823 (E_RNA)
where:
Base-Base interactions energy: -118.339
where: short stacking energy: -104.801
Base-Backbone interact. energy: -1.365
local terms energy: -283.125644
where:
bonds (distance) C4'-P energy: -86.657
bonds (distance) P-C4' energy: -85.769
flat angles C4'-P-C4' energy: -67.700
flat angles P-C4'-P energy: -41.414
tors. eta vs tors. theta energy: -1.586
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: 10, replica: 5
=====================================
Write number: 222
Temperature: 1.350000
Total energy: -359.725727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.725727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.725727 (E_RNA)
where:
Base-Base interactions energy: -102.987
where: short stacking energy: -100.883
Base-Backbone interact. energy: -1.863
local terms energy: -254.875899
where:
bonds (distance) C4'-P energy: -85.330
bonds (distance) P-C4' energy: -81.239
flat angles C4'-P-C4' energy: -64.242
flat angles P-C4'-P energy: -20.006
tors. eta vs tors. theta energy: -4.059
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 223
Temperature: 0.900000
Total energy: -1232.994499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1232.994499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1232.994499 (E_RNA)
where:
Base-Base interactions energy: -760.896
where: short stacking energy: -397.744
Base-Backbone interact. energy: -0.256
local terms energy: -471.843104
where:
bonds (distance) C4'-P energy: -85.007
bonds (distance) P-C4' energy: -96.134
flat angles C4'-P-C4' energy: -103.228
flat angles P-C4'-P energy: -66.658
tors. eta vs tors. theta energy: -120.817
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: 4
=====================================
Write number: 223
Temperature: 0.950000
Total energy: -1095.354024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1095.354024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1095.354024 (E_RNA)
where:
Base-Base interactions energy: -631.103
where: short stacking energy: -356.458
Base-Backbone interact. energy: -0.084
local terms energy: -464.166748
where:
bonds (distance) C4'-P energy: -86.473
bonds (distance) P-C4' energy: -102.521
flat angles C4'-P-C4' energy: -99.436
flat angles P-C4'-P energy: -68.559
tors. eta vs tors. theta energy: -107.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 223
Temperature: 1.000000
Total energy: -890.828978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -890.828978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -890.828978 (E_RNA)
where:
Base-Base interactions energy: -480.834
where: short stacking energy: -291.225
Base-Backbone interact. energy: -0.775
local terms energy: -409.219742
where:
bonds (distance) C4'-P energy: -92.257
bonds (distance) P-C4' energy: -95.610
flat angles C4'-P-C4' energy: -94.089
flat angles P-C4'-P energy: -55.969
tors. eta vs tors. theta energy: -71.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 223
Temperature: 1.050000
Total energy: -839.243454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -839.243454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -839.243454 (E_RNA)
where:
Base-Base interactions energy: -439.677
where: short stacking energy: -281.367
Base-Backbone interact. energy: 2.103
local terms energy: -401.670325
where:
bonds (distance) C4'-P energy: -89.992
bonds (distance) P-C4' energy: -94.214
flat angles C4'-P-C4' energy: -95.455
flat angles P-C4'-P energy: -53.546
tors. eta vs tors. theta energy: -68.464
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 223
Temperature: 1.100000
Total energy: -635.237842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -635.237842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -635.237842 (E_RNA)
where:
Base-Base interactions energy: -289.714
where: short stacking energy: -225.512
Base-Backbone interact. energy: -1.668
local terms energy: -343.856473
where:
bonds (distance) C4'-P energy: -80.399
bonds (distance) P-C4' energy: -87.621
flat angles C4'-P-C4' energy: -88.931
flat angles P-C4'-P energy: -50.284
tors. eta vs tors. theta energy: -36.623
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 223
Temperature: 1.150000
Total energy: -626.206439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -626.206439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -626.206439 (E_RNA)
where:
Base-Base interactions energy: -283.601
where: short stacking energy: -203.331
Base-Backbone interact. energy: -1.246
local terms energy: -341.358687
where:
bonds (distance) C4'-P energy: -93.507
bonds (distance) P-C4' energy: -82.636
flat angles C4'-P-C4' energy: -85.079
flat angles P-C4'-P energy: -53.164
tors. eta vs tors. theta energy: -26.973
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: 8
=====================================
Write number: 223
Temperature: 1.200000
Total energy: -487.699500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.699500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.699500 (E_RNA)
where:
Base-Base interactions energy: -195.708
where: short stacking energy: -155.234
Base-Backbone interact. energy: 1.777
local terms energy: -293.767948
where:
bonds (distance) C4'-P energy: -75.027
bonds (distance) P-C4' energy: -98.478
flat angles C4'-P-C4' energy: -65.045
flat angles P-C4'-P energy: -40.925
tors. eta vs tors. theta energy: -14.294
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 223
Temperature: 1.250000
Total energy: -447.420737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -447.420737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -447.420737 (E_RNA)
where:
Base-Base interactions energy: -175.613
where: short stacking energy: -157.871
Base-Backbone interact. energy: 1.515
local terms energy: -273.323642
where:
bonds (distance) C4'-P energy: -75.769
bonds (distance) P-C4' energy: -83.801
flat angles C4'-P-C4' energy: -63.904
flat angles P-C4'-P energy: -31.020
tors. eta vs tors. theta energy: -18.829
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: 10
=====================================
Write number: 223
Temperature: 1.300000
Total energy: -412.208494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.208494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.208494 (E_RNA)
where:
Base-Base interactions energy: -138.832
where: short stacking energy: -116.373
Base-Backbone interact. energy: -0.006
local terms energy: -273.370365
where:
bonds (distance) C4'-P energy: -89.091
bonds (distance) P-C4' energy: -62.802
flat angles C4'-P-C4' energy: -81.625
flat angles P-C4'-P energy: -30.572
tors. eta vs tors. theta energy: -9.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 223
Temperature: 1.350000
Total energy: -352.904716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.904716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.904716 (E_RNA)
where:
Base-Base interactions energy: -119.374
where: short stacking energy: -95.449
Base-Backbone interact. energy: 1.931
local terms energy: -235.461086
where:
bonds (distance) C4'-P energy: -68.650
bonds (distance) P-C4' energy: -81.916
flat angles C4'-P-C4' energy: -69.408
flat angles P-C4'-P energy: -35.069
tors. eta vs tors. theta energy: 19.582
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 224
Temperature: 0.900000
Total energy: -1224.992462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1224.992462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1224.992462 (E_RNA)
where:
Base-Base interactions energy: -762.633
where: short stacking energy: -399.860
Base-Backbone interact. energy: -1.263
local terms energy: -461.096612
where:
bonds (distance) C4'-P energy: -96.656
bonds (distance) P-C4' energy: -96.491
flat angles C4'-P-C4' energy: -93.273
flat angles P-C4'-P energy: -60.003
tors. eta vs tors. theta energy: -114.673
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 224
Temperature: 0.950000
Total energy: -1093.581714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1093.581714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1093.581714 (E_RNA)
where:
Base-Base interactions energy: -635.650
where: short stacking energy: -366.944
Base-Backbone interact. energy: 0.748
local terms energy: -458.680300
where:
bonds (distance) C4'-P energy: -100.796
bonds (distance) P-C4' energy: -87.762
flat angles C4'-P-C4' energy: -100.524
flat angles P-C4'-P energy: -53.787
tors. eta vs tors. theta energy: -115.811
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: 6
=====================================
Write number: 224
Temperature: 1.000000
Total energy: -920.761329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -920.761329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -920.761329 (E_RNA)
where:
Base-Base interactions energy: -526.055
where: short stacking energy: -336.856
Base-Backbone interact. energy: 1.015
local terms energy: -395.720589
where:
bonds (distance) C4'-P energy: -81.433
bonds (distance) P-C4' energy: -85.567
flat angles C4'-P-C4' energy: -80.664
flat angles P-C4'-P energy: -56.788
tors. eta vs tors. theta energy: -91.269
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: 2
=====================================
Write number: 224
Temperature: 1.050000
Total energy: -832.431188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -832.431188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -832.431188 (E_RNA)
where:
Base-Base interactions energy: -445.894
where: short stacking energy: -292.779
Base-Backbone interact. energy: -1.695
local terms energy: -384.842714
where:
bonds (distance) C4'-P energy: -78.746
bonds (distance) P-C4' energy: -84.616
flat angles C4'-P-C4' energy: -90.720
flat angles P-C4'-P energy: -61.455
tors. eta vs tors. theta energy: -69.306
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: 7
=====================================
Write number: 224
Temperature: 1.100000
Total energy: -601.380607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -601.380607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -601.380607 (E_RNA)
where:
Base-Base interactions energy: -274.922
where: short stacking energy: -208.694
Base-Backbone interact. energy: 0.174
local terms energy: -326.632420
where:
bonds (distance) C4'-P energy: -80.500
bonds (distance) P-C4' energy: -77.684
flat angles C4'-P-C4' energy: -80.434
flat angles P-C4'-P energy: -53.581
tors. eta vs tors. theta energy: -34.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 224
Temperature: 1.150000
Total energy: -637.860444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -637.860444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -637.860444 (E_RNA)
where:
Base-Base interactions energy: -302.491
where: short stacking energy: -227.395
Base-Backbone interact. energy: 4.977
local terms energy: -340.346687
where:
bonds (distance) C4'-P energy: -75.852
bonds (distance) P-C4' energy: -99.532
flat angles C4'-P-C4' energy: -73.071
flat angles P-C4'-P energy: -54.388
tors. eta vs tors. theta energy: -37.504
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 224
Temperature: 1.200000
Total energy: -509.853379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.853379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.853379 (E_RNA)
where:
Base-Base interactions energy: -202.654
where: short stacking energy: -157.159
Base-Backbone interact. energy: 0.379
local terms energy: -307.578415
where:
bonds (distance) C4'-P energy: -68.007
bonds (distance) P-C4' energy: -83.708
flat angles C4'-P-C4' energy: -78.071
flat angles P-C4'-P energy: -43.916
tors. eta vs tors. theta energy: -33.875
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: 224
Temperature: 1.250000
Total energy: -429.226725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -429.226725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -429.226725 (E_RNA)
where:
Base-Base interactions energy: -147.055
where: short stacking energy: -130.776
Base-Backbone interact. energy: 0.796
local terms energy: -282.967276
where:
bonds (distance) C4'-P energy: -73.448
bonds (distance) P-C4' energy: -81.051
flat angles C4'-P-C4' energy: -72.880
flat angles P-C4'-P energy: -49.351
tors. eta vs tors. theta energy: -6.238
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: 5
=====================================
Write number: 224
Temperature: 1.300000
Total energy: -400.014861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -400.014861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -400.014861 (E_RNA)
where:
Base-Base interactions energy: -129.349
where: short stacking energy: -109.340
Base-Backbone interact. energy: 1.645
local terms energy: -272.311651
where:
bonds (distance) C4'-P energy: -81.952
bonds (distance) P-C4' energy: -86.766
flat angles C4'-P-C4' energy: -66.904
flat angles P-C4'-P energy: -39.077
tors. eta vs tors. theta energy: 2.388
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: 10
=====================================
Write number: 224
Temperature: 1.350000
Total energy: -352.061316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.061316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.061316 (E_RNA)
where:
Base-Base interactions energy: -103.015
where: short stacking energy: -92.227
Base-Backbone interact. energy: -0.459
local terms energy: -248.587407
where:
bonds (distance) C4'-P energy: -67.665
bonds (distance) P-C4' energy: -72.124
flat angles C4'-P-C4' energy: -76.066
flat angles P-C4'-P energy: -30.553
tors. eta vs tors. theta energy: -2.180
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 225
Temperature: 0.900000
Total energy: -1210.415488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1210.415488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1210.415488 (E_RNA)
where:
Base-Base interactions energy: -748.857
where: short stacking energy: -402.912
Base-Backbone interact. energy: -3.366
local terms energy: -458.192064
where:
bonds (distance) C4'-P energy: -83.056
bonds (distance) P-C4' energy: -89.139
flat angles C4'-P-C4' energy: -109.167
flat angles P-C4'-P energy: -68.356
tors. eta vs tors. theta energy: -108.474
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: 4
=====================================
Write number: 225
Temperature: 0.950000
Total energy: -1109.461036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1109.461036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1109.461036 (E_RNA)
where:
Base-Base interactions energy: -655.524
where: short stacking energy: -395.086
Base-Backbone interact. energy: -0.095
local terms energy: -453.842417
where:
bonds (distance) C4'-P energy: -94.886
bonds (distance) P-C4' energy: -97.183
flat angles C4'-P-C4' energy: -94.397
flat angles P-C4'-P energy: -54.778
tors. eta vs tors. theta energy: -112.597
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 225
Temperature: 1.000000
Total energy: -910.610998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -910.610998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -910.610998 (E_RNA)
where:
Base-Base interactions energy: -488.971
where: short stacking energy: -303.398
Base-Backbone interact. energy: -0.873
local terms energy: -420.766758
where:
bonds (distance) C4'-P energy: -91.499
bonds (distance) P-C4' energy: -88.831
flat angles C4'-P-C4' energy: -91.839
flat angles P-C4'-P energy: -59.285
tors. eta vs tors. theta energy: -89.314
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 225
Temperature: 1.050000
Total energy: -853.813213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -853.813213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -853.813213 (E_RNA)
where:
Base-Base interactions energy: -465.131
where: short stacking energy: -284.362
Base-Backbone interact. energy: -2.161
local terms energy: -386.521663
where:
bonds (distance) C4'-P energy: -93.694
bonds (distance) P-C4' energy: -92.843
flat angles C4'-P-C4' energy: -80.717
flat angles P-C4'-P energy: -58.698
tors. eta vs tors. theta energy: -60.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 225
Temperature: 1.100000
Total energy: -569.472788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -569.472788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -569.472788 (E_RNA)
where:
Base-Base interactions energy: -246.687
where: short stacking energy: -173.793
Base-Backbone interact. energy: -2.781
local terms energy: -320.004978
where:
bonds (distance) C4'-P energy: -87.478
bonds (distance) P-C4' energy: -102.242
flat angles C4'-P-C4' energy: -72.160
flat angles P-C4'-P energy: -52.947
tors. eta vs tors. theta energy: -5.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 225
Temperature: 1.150000
Total energy: -621.939632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -621.939632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -621.939632 (E_RNA)
where:
Base-Base interactions energy: -305.763
where: short stacking energy: -196.623
Base-Backbone interact. energy: 2.424
local terms energy: -318.600643
where:
bonds (distance) C4'-P energy: -80.841
bonds (distance) P-C4' energy: -83.420
flat angles C4'-P-C4' energy: -81.681
flat angles P-C4'-P energy: -39.204
tors. eta vs tors. theta energy: -33.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 225
Temperature: 1.200000
Total energy: -468.890242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -468.890242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -468.890242 (E_RNA)
where:
Base-Base interactions energy: -187.804
where: short stacking energy: -151.393
Base-Backbone interact. energy: 0.406
local terms energy: -281.492282
where:
bonds (distance) C4'-P energy: -76.581
bonds (distance) P-C4' energy: -74.813
flat angles C4'-P-C4' energy: -64.919
flat angles P-C4'-P energy: -49.705
tors. eta vs tors. theta energy: -15.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 225
Temperature: 1.250000
Total energy: -426.722269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -426.722269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -426.722269 (E_RNA)
where:
Base-Base interactions energy: -168.038
where: short stacking energy: -146.954
Base-Backbone interact. energy: 2.889
local terms energy: -261.573627
where:
bonds (distance) C4'-P energy: -83.359
bonds (distance) P-C4' energy: -53.407
flat angles C4'-P-C4' energy: -82.374
flat angles P-C4'-P energy: -46.815
tors. eta vs tors. theta energy: 4.381
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: 9, replica: 5
=====================================
Write number: 225
Temperature: 1.300000
Total energy: -371.234525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.234525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.234525 (E_RNA)
where:
Base-Base interactions energy: -111.288
where: short stacking energy: -101.093
Base-Backbone interact. energy: 0.528
local terms energy: -260.474597
where:
bonds (distance) C4'-P energy: -84.794
bonds (distance) P-C4' energy: -77.574
flat angles C4'-P-C4' energy: -68.703
flat angles P-C4'-P energy: -47.018
tors. eta vs tors. theta energy: 17.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 225
Temperature: 1.350000
Total energy: -345.010012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.010012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.010012 (E_RNA)
where:
Base-Base interactions energy: -98.459
where: short stacking energy: -90.461
Base-Backbone interact. energy: 4.487
local terms energy: -251.038472
where:
bonds (distance) C4'-P energy: -81.227
bonds (distance) P-C4' energy: -77.684
flat angles C4'-P-C4' energy: -66.145
flat angles P-C4'-P energy: -39.954
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: 1, replica: 1
=====================================
Write number: 226
Temperature: 0.900000
Total energy: -1222.026639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1222.026639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1222.026639 (E_RNA)
where:
Base-Base interactions energy: -742.841
where: short stacking energy: -390.090
Base-Backbone interact. energy: -1.650
local terms energy: -477.535846
where:
bonds (distance) C4'-P energy: -96.216
bonds (distance) P-C4' energy: -97.702
flat angles C4'-P-C4' energy: -98.452
flat angles P-C4'-P energy: -74.803
tors. eta vs tors. theta energy: -110.363
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: 2, replica: 4
=====================================
Write number: 226
Temperature: 0.950000
Total energy: -1137.207668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1137.207668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1137.207668 (E_RNA)
where:
Base-Base interactions energy: -677.637
where: short stacking energy: -388.132
Base-Backbone interact. energy: -1.238
local terms energy: -458.332085
where:
bonds (distance) C4'-P energy: -81.815
bonds (distance) P-C4' energy: -91.307
flat angles C4'-P-C4' energy: -99.400
flat angles P-C4'-P energy: -66.704
tors. eta vs tors. theta energy: -119.106
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: 6
=====================================
Write number: 226
Temperature: 1.000000
Total energy: -904.034567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -904.034567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -904.034567 (E_RNA)
where:
Base-Base interactions energy: -463.775
where: short stacking energy: -282.762
Base-Backbone interact. energy: -0.630
local terms energy: -439.630218
where:
bonds (distance) C4'-P energy: -94.500
bonds (distance) P-C4' energy: -99.798
flat angles C4'-P-C4' energy: -105.317
flat angles P-C4'-P energy: -63.771
tors. eta vs tors. theta energy: -76.245
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 226
Temperature: 1.050000
Total energy: -838.548792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -838.548792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -838.548792 (E_RNA)
where:
Base-Base interactions energy: -446.357
where: short stacking energy: -259.330
Base-Backbone interact. energy: -1.079
local terms energy: -391.111957
where:
bonds (distance) C4'-P energy: -89.009
bonds (distance) P-C4' energy: -98.355
flat angles C4'-P-C4' energy: -87.518
flat angles P-C4'-P energy: -51.364
tors. eta vs tors. theta energy: -64.866
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 226
Temperature: 1.100000
Total energy: -636.458495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -636.458495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -636.458495 (E_RNA)
where:
Base-Base interactions energy: -300.722
where: short stacking energy: -194.508
Base-Backbone interact. energy: 1.358
local terms energy: -337.094693
where:
bonds (distance) C4'-P energy: -83.504
bonds (distance) P-C4' energy: -85.173
flat angles C4'-P-C4' energy: -81.574
flat angles P-C4'-P energy: -49.268
tors. eta vs tors. theta energy: -37.575
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: 226
Temperature: 1.150000
Total energy: -540.045269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.045269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.045269 (E_RNA)
where:
Base-Base interactions energy: -230.078
where: short stacking energy: -152.650
Base-Backbone interact. energy: 0.894
local terms energy: -310.860897
where:
bonds (distance) C4'-P energy: -83.408
bonds (distance) P-C4' energy: -82.554
flat angles C4'-P-C4' energy: -80.605
flat angles P-C4'-P energy: -48.974
tors. eta vs tors. theta energy: -15.320
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: 8
=====================================
Write number: 226
Temperature: 1.200000
Total energy: -532.158704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.158704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.158704 (E_RNA)
where:
Base-Base interactions energy: -242.752
where: short stacking energy: -187.798
Base-Backbone interact. energy: -0.521
local terms energy: -288.885913
where:
bonds (distance) C4'-P energy: -80.026
bonds (distance) P-C4' energy: -81.547
flat angles C4'-P-C4' energy: -58.258
flat angles P-C4'-P energy: -40.392
tors. eta vs tors. theta energy: -28.664
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: 9
=====================================
Write number: 226
Temperature: 1.250000
Total energy: -422.998245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -422.998245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -422.998245 (E_RNA)
where:
Base-Base interactions energy: -131.838
where: short stacking energy: -119.581
Base-Backbone interact. energy: -0.554
local terms energy: -290.606099
where:
bonds (distance) C4'-P energy: -93.077
bonds (distance) P-C4' energy: -91.442
flat angles C4'-P-C4' energy: -62.974
flat angles P-C4'-P energy: -51.413
tors. eta vs tors. theta energy: 8.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 226
Temperature: 1.300000
Total energy: -370.353982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.353982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.353982 (E_RNA)
where:
Base-Base interactions energy: -123.210
where: short stacking energy: -108.252
Base-Backbone interact. energy: 1.316
local terms energy: -248.460140
where:
bonds (distance) C4'-P energy: -71.470
bonds (distance) P-C4' energy: -83.458
flat angles C4'-P-C4' energy: -55.137
flat angles P-C4'-P energy: -45.565
tors. eta vs tors. theta energy: 7.170
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: 5
=====================================
Write number: 226
Temperature: 1.350000
Total energy: -360.369089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.369089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.369089 (E_RNA)
where:
Base-Base interactions energy: -127.126
where: short stacking energy: -121.457
Base-Backbone interact. energy: 2.392
local terms energy: -235.635529
where:
bonds (distance) C4'-P energy: -58.505
bonds (distance) P-C4' energy: -68.044
flat angles C4'-P-C4' energy: -55.841
flat angles P-C4'-P energy: -54.147
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: 1, replica: 1
=====================================
Write number: 227
Temperature: 0.900000
Total energy: -1225.488006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1225.488006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1225.488006 (E_RNA)
where:
Base-Base interactions energy: -766.444
where: short stacking energy: -425.770
Base-Backbone interact. energy: -1.821
local terms energy: -457.222282
where:
bonds (distance) C4'-P energy: -81.131
bonds (distance) P-C4' energy: -94.296
flat angles C4'-P-C4' energy: -97.420
flat angles P-C4'-P energy: -71.499
tors. eta vs tors. theta energy: -112.876
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: 227
Temperature: 0.950000
Total energy: -1105.015286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1105.015286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1105.015286 (E_RNA)
where:
Base-Base interactions energy: -631.222
where: short stacking energy: -380.277
Base-Backbone interact. energy: 0.426
local terms energy: -474.219118
where:
bonds (distance) C4'-P energy: -85.334
bonds (distance) P-C4' energy: -100.957
flat angles C4'-P-C4' energy: -100.042
flat angles P-C4'-P energy: -74.733
tors. eta vs tors. theta energy: -113.153
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: 6
=====================================
Write number: 227
Temperature: 1.000000
Total energy: -942.546953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -942.546953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -942.546953 (E_RNA)
where:
Base-Base interactions energy: -552.539
where: short stacking energy: -333.382
Base-Backbone interact. energy: 0.098
local terms energy: -390.105518
where:
bonds (distance) C4'-P energy: -64.384
bonds (distance) P-C4' energy: -90.775
flat angles C4'-P-C4' energy: -80.085
flat angles P-C4'-P energy: -63.969
tors. eta vs tors. theta energy: -90.892
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: 2
=====================================
Write number: 227
Temperature: 1.050000
Total energy: -858.325692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -858.325692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -858.325692 (E_RNA)
where:
Base-Base interactions energy: -463.988
where: short stacking energy: -300.809
Base-Backbone interact. energy: -3.729
local terms energy: -390.608619
where:
bonds (distance) C4'-P energy: -92.828
bonds (distance) P-C4' energy: -80.932
flat angles C4'-P-C4' energy: -80.277
flat angles P-C4'-P energy: -63.594
tors. eta vs tors. theta energy: -72.977
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: 227
Temperature: 1.100000
Total energy: -645.066641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -645.066641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -645.066641 (E_RNA)
where:
Base-Base interactions energy: -304.414
where: short stacking energy: -212.211
Base-Backbone interact. energy: 0.153
local terms energy: -340.805640
where:
bonds (distance) C4'-P energy: -84.932
bonds (distance) P-C4' energy: -79.503
flat angles C4'-P-C4' energy: -88.104
flat angles P-C4'-P energy: -50.342
tors. eta vs tors. theta energy: -37.924
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: 8
=====================================
Write number: 227
Temperature: 1.150000
Total energy: -540.270056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.270056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.270056 (E_RNA)
where:
Base-Base interactions energy: -232.098
where: short stacking energy: -172.110
Base-Backbone interact. energy: -1.110
local terms energy: -307.061795
where:
bonds (distance) C4'-P energy: -81.634
bonds (distance) P-C4' energy: -95.569
flat angles C4'-P-C4' energy: -78.044
flat angles P-C4'-P energy: -47.640
tors. eta vs tors. theta energy: -4.175
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 227
Temperature: 1.200000
Total energy: -521.236114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.236114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.236114 (E_RNA)
where:
Base-Base interactions energy: -227.121
where: short stacking energy: -144.850
Base-Backbone interact. energy: -2.586
local terms energy: -291.529054
where:
bonds (distance) C4'-P energy: -82.025
bonds (distance) P-C4' energy: -77.898
flat angles C4'-P-C4' energy: -76.523
flat angles P-C4'-P energy: -54.375
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: 8, replica: 10
=====================================
Write number: 227
Temperature: 1.250000
Total energy: -384.386743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -384.386743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -384.386743 (E_RNA)
where:
Base-Base interactions energy: -137.338
where: short stacking energy: -94.503
Base-Backbone interact. energy: -3.037
local terms energy: -244.011558
where:
bonds (distance) C4'-P energy: -69.814
bonds (distance) P-C4' energy: -84.083
flat angles C4'-P-C4' energy: -63.791
flat angles P-C4'-P energy: -48.484
tors. eta vs tors. theta energy: 22.160
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: 227
Temperature: 1.300000
Total energy: -392.355012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.355012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -392.355012 (E_RNA)
where:
Base-Base interactions energy: -142.824
where: short stacking energy: -134.869
Base-Backbone interact. energy: -2.583
local terms energy: -246.947432
where:
bonds (distance) C4'-P energy: -60.689
bonds (distance) P-C4' energy: -81.887
flat angles C4'-P-C4' energy: -66.593
flat angles P-C4'-P energy: -48.024
tors. eta vs tors. theta energy: 10.246
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 227
Temperature: 1.350000
Total energy: -372.591737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -372.591737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -372.591737 (E_RNA)
where:
Base-Base interactions energy: -101.880
where: short stacking energy: -91.166
Base-Backbone interact. energy: -0.993
local terms energy: -269.718452
where:
bonds (distance) C4'-P energy: -80.595
bonds (distance) P-C4' energy: -89.677
flat angles C4'-P-C4' energy: -74.241
flat angles P-C4'-P energy: -38.727
tors. eta vs tors. theta energy: 13.522
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: 1, replica: 1
=====================================
Write number: 228
Temperature: 0.900000
Total energy: -1194.806852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1194.806852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1194.806852 (E_RNA)
where:
Base-Base interactions energy: -732.393
where: short stacking energy: -379.257
Base-Backbone interact. energy: -0.172
local terms energy: -462.242413
where:
bonds (distance) C4'-P energy: -97.179
bonds (distance) P-C4' energy: -82.100
flat angles C4'-P-C4' energy: -99.848
flat angles P-C4'-P energy: -70.366
tors. eta vs tors. theta energy: -112.749
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: 228
Temperature: 0.950000
Total energy: -1078.811158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1078.811158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1078.811158 (E_RNA)
where:
Base-Base interactions energy: -639.848
where: short stacking energy: -384.469
Base-Backbone interact. energy: -0.075
local terms energy: -438.888540
where:
bonds (distance) C4'-P energy: -80.023
bonds (distance) P-C4' energy: -93.099
flat angles C4'-P-C4' energy: -95.033
flat angles P-C4'-P energy: -58.186
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: 3, replica: 6
=====================================
Write number: 228
Temperature: 1.000000
Total energy: -953.920200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -953.920200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -953.920200 (E_RNA)
where:
Base-Base interactions energy: -529.760
where: short stacking energy: -357.222
Base-Backbone interact. energy: 3.675
local terms energy: -427.835115
where:
bonds (distance) C4'-P energy: -70.606
bonds (distance) P-C4' energy: -94.825
flat angles C4'-P-C4' energy: -99.117
flat angles P-C4'-P energy: -69.264
tors. eta vs tors. theta energy: -94.023
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 228
Temperature: 1.050000
Total energy: -781.388066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -781.388066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -781.388066 (E_RNA)
where:
Base-Base interactions energy: -409.347
where: short stacking energy: -243.784
Base-Backbone interact. energy: 3.465
local terms energy: -375.506287
where:
bonds (distance) C4'-P energy: -85.470
bonds (distance) P-C4' energy: -88.155
flat angles C4'-P-C4' energy: -81.213
flat angles P-C4'-P energy: -58.680
tors. eta vs tors. theta energy: -61.988
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: 8
=====================================
Write number: 228
Temperature: 1.100000
Total energy: -625.801242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -625.801242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -625.801242 (E_RNA)
where:
Base-Base interactions energy: -297.599
where: short stacking energy: -210.828
Base-Backbone interact. energy: -1.272
local terms energy: -326.930267
where:
bonds (distance) C4'-P energy: -80.266
bonds (distance) P-C4' energy: -81.874
flat angles C4'-P-C4' energy: -99.263
flat angles P-C4'-P energy: -33.603
tors. eta vs tors. theta energy: -31.924
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: 3
=====================================
Write number: 228
Temperature: 1.150000
Total energy: -639.925561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -639.925561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -639.925561 (E_RNA)
where:
Base-Base interactions energy: -313.649
where: short stacking energy: -224.146
Base-Backbone interact. energy: 2.856
local terms energy: -329.132764
where:
bonds (distance) C4'-P energy: -84.172
bonds (distance) P-C4' energy: -86.257
flat angles C4'-P-C4' energy: -83.148
flat angles P-C4'-P energy: -47.120
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: 228
Temperature: 1.200000
Total energy: -480.564827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -480.564827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -480.564827 (E_RNA)
where:
Base-Base interactions energy: -176.718
where: short stacking energy: -138.710
Base-Backbone interact. energy: 2.026
local terms energy: -305.872291
where:
bonds (distance) C4'-P energy: -77.305
bonds (distance) P-C4' energy: -88.828
flat angles C4'-P-C4' energy: -69.047
flat angles P-C4'-P energy: -54.821
tors. eta vs tors. theta energy: -15.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 228
Temperature: 1.250000
Total energy: -445.902141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -445.902141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -445.902141 (E_RNA)
where:
Base-Base interactions energy: -178.107
where: short stacking energy: -163.650
Base-Backbone interact. energy: 5.830
local terms energy: -273.624980
where:
bonds (distance) C4'-P energy: -66.485
bonds (distance) P-C4' energy: -93.871
flat angles C4'-P-C4' energy: -67.033
flat angles P-C4'-P energy: -38.996
tors. eta vs tors. theta energy: -7.239
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 228
Temperature: 1.300000
Total energy: -387.983878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -387.983878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -387.983878 (E_RNA)
where:
Base-Base interactions energy: -132.353
where: short stacking energy: -117.464
Base-Backbone interact. energy: 3.273
local terms energy: -258.904420
where:
bonds (distance) C4'-P energy: -79.182
bonds (distance) P-C4' energy: -87.634
flat angles C4'-P-C4' energy: -59.863
flat angles P-C4'-P energy: -37.106
tors. eta vs tors. theta energy: 4.881
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: 5
=====================================
Write number: 228
Temperature: 1.350000
Total energy: -354.986294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.986294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.986294 (E_RNA)
where:
Base-Base interactions energy: -108.876
where: short stacking energy: -94.184
Base-Backbone interact. energy: 4.569
local terms energy: -250.679126
where:
bonds (distance) C4'-P energy: -81.244
bonds (distance) P-C4' energy: -79.799
flat angles C4'-P-C4' energy: -72.998
flat angles P-C4'-P energy: -20.074
tors. eta vs tors. theta energy: 3.435
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: 1
=====================================
Write number: 229
Temperature: 0.900000
Total energy: -1231.007819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1231.007819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1231.007819 (E_RNA)
where:
Base-Base interactions energy: -761.506
where: short stacking energy: -402.118
Base-Backbone interact. energy: -1.018
local terms energy: -468.483803
where:
bonds (distance) C4'-P energy: -80.644
bonds (distance) P-C4' energy: -102.249
flat angles C4'-P-C4' energy: -95.198
flat angles P-C4'-P energy: -67.351
tors. eta vs tors. theta energy: -123.042
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: 229
Temperature: 0.950000
Total energy: -1104.411589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1104.411589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1104.411589 (E_RNA)
where:
Base-Base interactions energy: -642.679
where: short stacking energy: -394.509
Base-Backbone interact. energy: 0.110
local terms energy: -461.842129
where:
bonds (distance) C4'-P energy: -91.823
bonds (distance) P-C4' energy: -89.776
flat angles C4'-P-C4' energy: -98.416
flat angles P-C4'-P energy: -66.178
tors. eta vs tors. theta energy: -115.649
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 229
Temperature: 1.000000
Total energy: -964.428881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -964.428881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -964.428881 (E_RNA)
where:
Base-Base interactions energy: -542.454
where: short stacking energy: -342.826
Base-Backbone interact. energy: 1.057
local terms energy: -423.031824
where:
bonds (distance) C4'-P energy: -90.416
bonds (distance) P-C4' energy: -93.687
flat angles C4'-P-C4' energy: -85.883
flat angles P-C4'-P energy: -58.373
tors. eta vs tors. theta energy: -94.673
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 229
Temperature: 1.050000
Total energy: -811.731035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -811.731035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -811.731035 (E_RNA)
where:
Base-Base interactions energy: -418.057
where: short stacking energy: -263.769
Base-Backbone interact. energy: 0.613
local terms energy: -394.287114
where:
bonds (distance) C4'-P energy: -84.385
bonds (distance) P-C4' energy: -85.125
flat angles C4'-P-C4' energy: -92.115
flat angles P-C4'-P energy: -68.236
tors. eta vs tors. theta energy: -64.427
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 229
Temperature: 1.100000
Total energy: -627.842700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -627.842700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -627.842700 (E_RNA)
where:
Base-Base interactions energy: -304.677
where: short stacking energy: -217.690
Base-Backbone interact. energy: 0.350
local terms energy: -323.516160
where:
bonds (distance) C4'-P energy: -77.728
bonds (distance) P-C4' energy: -84.567
flat angles C4'-P-C4' energy: -71.679
flat angles P-C4'-P energy: -58.620
tors. eta vs tors. theta energy: -30.923
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 229
Temperature: 1.150000
Total energy: -601.199788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -601.199788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -601.199788 (E_RNA)
where:
Base-Base interactions energy: -267.953
where: short stacking energy: -203.025
Base-Backbone interact. energy: -0.047
local terms energy: -333.199629
where:
bonds (distance) C4'-P energy: -86.679
bonds (distance) P-C4' energy: -77.546
flat angles C4'-P-C4' energy: -81.401
flat angles P-C4'-P energy: -51.023
tors. eta vs tors. theta energy: -36.550
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 229
Temperature: 1.200000
Total energy: -541.173692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.173692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.173692 (E_RNA)
where:
Base-Base interactions energy: -218.193
where: short stacking energy: -173.329
Base-Backbone interact. energy: 1.364
local terms energy: -324.344293
where:
bonds (distance) C4'-P energy: -94.357
bonds (distance) P-C4' energy: -76.081
flat angles C4'-P-C4' energy: -75.547
flat angles P-C4'-P energy: -48.810
tors. eta vs tors. theta energy: -29.549
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 229
Temperature: 1.250000
Total energy: -412.086944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.086944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.086944 (E_RNA)
where:
Base-Base interactions energy: -159.086
where: short stacking energy: -127.496
Base-Backbone interact. energy: -1.129
local terms energy: -251.871938
where:
bonds (distance) C4'-P energy: -83.246
bonds (distance) P-C4' energy: -83.998
flat angles C4'-P-C4' energy: -56.021
flat angles P-C4'-P energy: -39.211
tors. eta vs tors. theta energy: 10.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 229
Temperature: 1.300000
Total energy: -390.230890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -390.230890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -390.230890 (E_RNA)
where:
Base-Base interactions energy: -140.420
where: short stacking energy: -129.970
Base-Backbone interact. energy: 1.385
local terms energy: -251.195836
where:
bonds (distance) C4'-P energy: -74.519
bonds (distance) P-C4' energy: -66.822
flat angles C4'-P-C4' energy: -71.461
flat angles P-C4'-P energy: -42.534
tors. eta vs tors. theta energy: 4.140
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 229
Temperature: 1.350000
Total energy: -339.058103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.058103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.058103 (E_RNA)
where:
Base-Base interactions energy: -93.534
where: short stacking energy: -86.132
Base-Backbone interact. energy: -1.076
local terms energy: -244.447343
where:
bonds (distance) C4'-P energy: -84.972
bonds (distance) P-C4' energy: -78.139
flat angles C4'-P-C4' energy: -72.093
flat angles P-C4'-P energy: -24.775
tors. eta vs tors. theta energy: 15.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 230
Temperature: 0.900000
Total energy: -1212.860258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1212.860258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1212.860258 (E_RNA)
where:
Base-Base interactions energy: -729.811
where: short stacking energy: -395.740
Base-Backbone interact. energy: -0.767
local terms energy: -482.282092
where:
bonds (distance) C4'-P energy: -97.886
bonds (distance) P-C4' energy: -96.916
flat angles C4'-P-C4' energy: -93.561
flat angles P-C4'-P energy: -78.861
tors. eta vs tors. theta energy: -115.057
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: 4
=====================================
Write number: 230
Temperature: 0.950000
Total energy: -1125.336676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1125.336676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1125.336676 (E_RNA)
where:
Base-Base interactions energy: -657.033
where: short stacking energy: -406.291
Base-Backbone interact. energy: -0.822
local terms energy: -467.481593
where:
bonds (distance) C4'-P energy: -94.480
bonds (distance) P-C4' energy: -87.239
flat angles C4'-P-C4' energy: -101.825
flat angles P-C4'-P energy: -67.168
tors. eta vs tors. theta energy: -116.770
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 230
Temperature: 1.000000
Total energy: -948.148151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -948.148151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -948.148151 (E_RNA)
where:
Base-Base interactions energy: -541.387
where: short stacking energy: -320.599
Base-Backbone interact. energy: 0.370
local terms energy: -407.131675
where:
bonds (distance) C4'-P energy: -81.825
bonds (distance) P-C4' energy: -95.691
flat angles C4'-P-C4' energy: -89.859
flat angles P-C4'-P energy: -59.846
tors. eta vs tors. theta energy: -79.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 230
Temperature: 1.050000
Total energy: -844.391686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -844.391686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -844.391686 (E_RNA)
where:
Base-Base interactions energy: -474.176
where: short stacking energy: -281.719
Base-Backbone interact. energy: -0.326
local terms energy: -369.889281
where:
bonds (distance) C4'-P energy: -84.023
bonds (distance) P-C4' energy: -81.593
flat angles C4'-P-C4' energy: -92.311
flat angles P-C4'-P energy: -54.073
tors. eta vs tors. theta energy: -57.890
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: 230
Temperature: 1.100000
Total energy: -634.397728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -634.397728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -634.397728 (E_RNA)
where:
Base-Base interactions energy: -285.435
where: short stacking energy: -218.805
Base-Backbone interact. energy: 0.590
local terms energy: -349.552664
where:
bonds (distance) C4'-P energy: -71.174
bonds (distance) P-C4' energy: -94.095
flat angles C4'-P-C4' energy: -85.031
flat angles P-C4'-P energy: -56.358
tors. eta vs tors. theta energy: -42.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 230
Temperature: 1.150000
Total energy: -647.118746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -647.118746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -647.118746 (E_RNA)
where:
Base-Base interactions energy: -281.664
where: short stacking energy: -191.431
Base-Backbone interact. energy: -2.285
local terms energy: -363.169542
where:
bonds (distance) C4'-P energy: -94.934
bonds (distance) P-C4' energy: -93.435
flat angles C4'-P-C4' energy: -72.262
flat angles P-C4'-P energy: -66.221
tors. eta vs tors. theta energy: -36.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 230
Temperature: 1.200000
Total energy: -523.153770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.153770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.153770 (E_RNA)
where:
Base-Base interactions energy: -234.901
where: short stacking energy: -170.218
Base-Backbone interact. energy: 1.960
local terms energy: -290.212819
where:
bonds (distance) C4'-P energy: -69.210
bonds (distance) P-C4' energy: -85.929
flat angles C4'-P-C4' energy: -64.478
flat angles P-C4'-P energy: -61.779
tors. eta vs tors. theta energy: -8.817
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: 10
=====================================
Write number: 230
Temperature: 1.250000
Total energy: -417.386884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.386884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.386884 (E_RNA)
where:
Base-Base interactions energy: -117.870
where: short stacking energy: -111.590
Base-Backbone interact. energy: 1.139
local terms energy: -300.655916
where:
bonds (distance) C4'-P energy: -89.233
bonds (distance) P-C4' energy: -94.035
flat angles C4'-P-C4' energy: -70.405
flat angles P-C4'-P energy: -45.738
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: 9, replica: 5
=====================================
Write number: 230
Temperature: 1.300000
Total energy: -361.168740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.168740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.168740 (E_RNA)
where:
Base-Base interactions energy: -119.645
where: short stacking energy: -102.239
Base-Backbone interact. energy: 0.882
local terms energy: -242.405084
where:
bonds (distance) C4'-P energy: -68.517
bonds (distance) P-C4' energy: -82.266
flat angles C4'-P-C4' energy: -59.034
flat angles P-C4'-P energy: -40.261
tors. eta vs tors. theta energy: 7.672
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 230
Temperature: 1.350000
Total energy: -343.883155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.883155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.883155 (E_RNA)
where:
Base-Base interactions energy: -107.780
where: short stacking energy: -81.775
Base-Backbone interact. energy: 0.512
local terms energy: -236.615179
where:
bonds (distance) C4'-P energy: -67.017
bonds (distance) P-C4' energy: -68.688
flat angles C4'-P-C4' energy: -56.082
flat angles P-C4'-P energy: -53.869
tors. eta vs tors. theta energy: 9.042
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 231
Temperature: 0.900000
Total energy: -1208.290049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1208.290049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1208.290049 (E_RNA)
where:
Base-Base interactions energy: -725.486
where: short stacking energy: -394.596
Base-Backbone interact. energy: -0.696
local terms energy: -482.108037
where:
bonds (distance) C4'-P energy: -82.212
bonds (distance) P-C4' energy: -101.045
flat angles C4'-P-C4' energy: -109.258
flat angles P-C4'-P energy: -68.851
tors. eta vs tors. theta energy: -120.742
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: 2, replica: 4
=====================================
Write number: 231
Temperature: 0.950000
Total energy: -1106.751953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1106.751953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1106.751953 (E_RNA)
where:
Base-Base interactions energy: -643.125
where: short stacking energy: -378.515
Base-Backbone interact. energy: -1.428
local terms energy: -462.198597
where:
bonds (distance) C4'-P energy: -86.107
bonds (distance) P-C4' energy: -103.813
flat angles C4'-P-C4' energy: -91.186
flat angles P-C4'-P energy: -67.021
tors. eta vs tors. theta energy: -114.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 231
Temperature: 1.000000
Total energy: -945.273677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -945.273677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -945.273677 (E_RNA)
where:
Base-Base interactions energy: -514.732
where: short stacking energy: -314.099
Base-Backbone interact. energy: -0.631
local terms energy: -429.910242
where:
bonds (distance) C4'-P energy: -93.048
bonds (distance) P-C4' energy: -95.052
flat angles C4'-P-C4' energy: -92.492
flat angles P-C4'-P energy: -65.248
tors. eta vs tors. theta energy: -84.070
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: 4, replica: 2
=====================================
Write number: 231
Temperature: 1.050000
Total energy: -756.145078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -756.145078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -756.145078 (E_RNA)
where:
Base-Base interactions energy: -366.096
where: short stacking energy: -227.973
Base-Backbone interact. energy: -2.008
local terms energy: -388.040872
where:
bonds (distance) C4'-P energy: -96.328
bonds (distance) P-C4' energy: -92.302
flat angles C4'-P-C4' energy: -98.332
flat angles P-C4'-P energy: -54.653
tors. eta vs tors. theta energy: -46.425
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: 3
=====================================
Write number: 231
Temperature: 1.100000
Total energy: -649.543898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -649.543898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -649.543898 (E_RNA)
where:
Base-Base interactions energy: -301.409
where: short stacking energy: -222.374
Base-Backbone interact. energy: 1.215
local terms energy: -349.349933
where:
bonds (distance) C4'-P energy: -82.004
bonds (distance) P-C4' energy: -90.226
flat angles C4'-P-C4' energy: -76.740
flat angles P-C4'-P energy: -58.981
tors. eta vs tors. theta energy: -41.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 231
Temperature: 1.150000
Total energy: -609.656915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -609.656915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -609.656915 (E_RNA)
where:
Base-Base interactions energy: -283.874
where: short stacking energy: -199.373
Base-Backbone interact. energy: 0.482
local terms energy: -326.264772
where:
bonds (distance) C4'-P energy: -82.078
bonds (distance) P-C4' energy: -87.511
flat angles C4'-P-C4' energy: -77.294
flat angles P-C4'-P energy: -37.718
tors. eta vs tors. theta energy: -41.664
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 231
Temperature: 1.200000
Total energy: -506.819765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.819765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.819765 (E_RNA)
where:
Base-Base interactions energy: -222.845
where: short stacking energy: -170.664
Base-Backbone interact. energy: 0.578
local terms energy: -284.553175
where:
bonds (distance) C4'-P energy: -89.359
bonds (distance) P-C4' energy: -84.970
flat angles C4'-P-C4' energy: -67.854
flat angles P-C4'-P energy: -41.943
tors. eta vs tors. theta energy: -0.427
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: 8, replica: 10
=====================================
Write number: 231
Temperature: 1.250000
Total energy: -399.568240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -399.568240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -399.568240 (E_RNA)
where:
Base-Base interactions energy: -143.403
where: short stacking energy: -131.298
Base-Backbone interact. energy: -1.030
local terms energy: -255.135312
where:
bonds (distance) C4'-P energy: -79.873
bonds (distance) P-C4' energy: -79.481
flat angles C4'-P-C4' energy: -69.415
flat angles P-C4'-P energy: -28.162
tors. eta vs tors. theta energy: 1.796
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: 5
=====================================
Write number: 231
Temperature: 1.300000
Total energy: -360.818663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.818663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.818663 (E_RNA)
where:
Base-Base interactions energy: -140.996
where: short stacking energy: -117.436
Base-Backbone interact. energy: -1.173
local terms energy: -218.650044
where:
bonds (distance) C4'-P energy: -69.454
bonds (distance) P-C4' energy: -75.119
flat angles C4'-P-C4' energy: -62.504
flat angles P-C4'-P energy: -23.651
tors. eta vs tors. theta energy: 12.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 231
Temperature: 1.350000
Total energy: -366.550137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.550137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.550137 (E_RNA)
where:
Base-Base interactions energy: -102.320
where: short stacking energy: -99.529
Base-Backbone interact. energy: 0.577
local terms energy: -264.807255
where:
bonds (distance) C4'-P energy: -60.614
bonds (distance) P-C4' energy: -84.827
flat angles C4'-P-C4' energy: -67.547
flat angles P-C4'-P energy: -44.649
tors. eta vs tors. theta energy: -7.171
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 232
Temperature: 0.900000
Total energy: -1250.133973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1250.133973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1250.133973 (E_RNA)
where:
Base-Base interactions energy: -743.957
where: short stacking energy: -428.978
Base-Backbone interact. energy: -1.651
local terms energy: -504.526103
where:
bonds (distance) C4'-P energy: -94.911
bonds (distance) P-C4' energy: -103.462
flat angles C4'-P-C4' energy: -105.404
flat angles P-C4'-P energy: -72.267
tors. eta vs tors. theta energy: -128.482
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 232
Temperature: 0.950000
Total energy: -1154.396467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1154.396467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1154.396467 (E_RNA)
where:
Base-Base interactions energy: -694.366
where: short stacking energy: -404.529
Base-Backbone interact. energy: -1.306
local terms energy: -458.724817
where:
bonds (distance) C4'-P energy: -84.877
bonds (distance) P-C4' energy: -89.943
flat angles C4'-P-C4' energy: -98.231
flat angles P-C4'-P energy: -58.787
tors. eta vs tors. theta energy: -126.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 232
Temperature: 1.000000
Total energy: -957.022498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -957.022498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -957.022498 (E_RNA)
where:
Base-Base interactions energy: -533.226
where: short stacking energy: -308.871
Base-Backbone interact. energy: -0.696
local terms energy: -423.101083
where:
bonds (distance) C4'-P energy: -102.251
bonds (distance) P-C4' energy: -93.308
flat angles C4'-P-C4' energy: -98.589
flat angles P-C4'-P energy: -56.886
tors. eta vs tors. theta energy: -72.067
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 232
Temperature: 1.050000
Total energy: -752.401019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -752.401019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -752.401019 (E_RNA)
where:
Base-Base interactions energy: -393.052
where: short stacking energy: -254.130
Base-Backbone interact. energy: -1.736
local terms energy: -357.613136
where:
bonds (distance) C4'-P energy: -82.015
bonds (distance) P-C4' energy: -88.929
flat angles C4'-P-C4' energy: -88.372
flat angles P-C4'-P energy: -53.013
tors. eta vs tors. theta energy: -45.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 232
Temperature: 1.100000
Total energy: -626.975615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -626.975615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -626.975615 (E_RNA)
where:
Base-Base interactions energy: -290.027
where: short stacking energy: -227.734
Base-Backbone interact. energy: 0.049
local terms energy: -336.997592
where:
bonds (distance) C4'-P energy: -70.316
bonds (distance) P-C4' energy: -95.903
flat angles C4'-P-C4' energy: -90.046
flat angles P-C4'-P energy: -40.455
tors. eta vs tors. theta energy: -40.278
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 232
Temperature: 1.150000
Total energy: -570.448636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -570.448636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -570.448636 (E_RNA)
where:
Base-Base interactions energy: -230.784
where: short stacking energy: -175.776
Base-Backbone interact. energy: -1.411
local terms energy: -338.254287
where:
bonds (distance) C4'-P energy: -92.767
bonds (distance) P-C4' energy: -74.432
flat angles C4'-P-C4' energy: -93.721
flat angles P-C4'-P energy: -46.634
tors. eta vs tors. theta energy: -30.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 232
Temperature: 1.200000
Total energy: -530.399683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.399683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.399683 (E_RNA)
where:
Base-Base interactions energy: -225.735
where: short stacking energy: -161.742
Base-Backbone interact. energy: 0.672
local terms energy: -305.336877
where:
bonds (distance) C4'-P energy: -79.616
bonds (distance) P-C4' energy: -91.741
flat angles C4'-P-C4' energy: -72.497
flat angles P-C4'-P energy: -43.835
tors. eta vs tors. theta energy: -17.649
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 232
Temperature: 1.250000
Total energy: -414.735620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.735620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.735620 (E_RNA)
where:
Base-Base interactions energy: -160.774
where: short stacking energy: -145.379
Base-Backbone interact. energy: 2.610
local terms energy: -256.571480
where:
bonds (distance) C4'-P energy: -65.171
bonds (distance) P-C4' energy: -88.534
flat angles C4'-P-C4' energy: -55.583
flat angles P-C4'-P energy: -49.350
tors. eta vs tors. theta energy: 2.066
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: 9, replica: 5
=====================================
Write number: 232
Temperature: 1.300000
Total energy: -365.426669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.426669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.426669 (E_RNA)
where:
Base-Base interactions energy: -117.093
where: short stacking energy: -101.945
Base-Backbone interact. energy: -2.434
local terms energy: -245.899473
where:
bonds (distance) C4'-P energy: -87.910
bonds (distance) P-C4' energy: -88.166
flat angles C4'-P-C4' energy: -63.173
flat angles P-C4'-P energy: -38.384
tors. eta vs tors. theta energy: 31.734
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: 232
Temperature: 1.350000
Total energy: -361.322669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.322669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.322669 (E_RNA)
where:
Base-Base interactions energy: -122.993
where: short stacking energy: -101.462
Base-Backbone interact. energy: 3.580
local terms energy: -241.909804
where:
bonds (distance) C4'-P energy: -76.760
bonds (distance) P-C4' energy: -74.067
flat angles C4'-P-C4' energy: -62.555
flat angles P-C4'-P energy: -36.778
tors. eta vs tors. theta energy: 8.250
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 233
Temperature: 0.900000
Total energy: -1250.463949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1250.463949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1250.463949 (E_RNA)
where:
Base-Base interactions energy: -771.227
where: short stacking energy: -429.990
Base-Backbone interact. energy: -0.771
local terms energy: -478.465630
where:
bonds (distance) C4'-P energy: -90.339
bonds (distance) P-C4' energy: -89.916
flat angles C4'-P-C4' energy: -106.709
flat angles P-C4'-P energy: -64.637
tors. eta vs tors. theta energy: -126.865
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: 233
Temperature: 0.950000
Total energy: -1150.170843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1150.170843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1150.170843 (E_RNA)
where:
Base-Base interactions energy: -697.681
where: short stacking energy: -411.066
Base-Backbone interact. energy: -1.677
local terms energy: -450.812788
where:
bonds (distance) C4'-P energy: -93.284
bonds (distance) P-C4' energy: -79.811
flat angles C4'-P-C4' energy: -100.379
flat angles P-C4'-P energy: -54.569
tors. eta vs tors. theta energy: -122.770
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 233
Temperature: 1.000000
Total energy: -944.899455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -944.899455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -944.899455 (E_RNA)
where:
Base-Base interactions energy: -537.866
where: short stacking energy: -332.244
Base-Backbone interact. energy: -0.851
local terms energy: -406.182356
where:
bonds (distance) C4'-P energy: -98.384
bonds (distance) P-C4' energy: -85.827
flat angles C4'-P-C4' energy: -83.931
flat angles P-C4'-P energy: -55.248
tors. eta vs tors. theta energy: -82.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 233
Temperature: 1.050000
Total energy: -750.975295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -750.975295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -750.975295 (E_RNA)
where:
Base-Base interactions energy: -377.121
where: short stacking energy: -259.617
Base-Backbone interact. energy: 0.839
local terms energy: -374.692814
where:
bonds (distance) C4'-P energy: -93.079
bonds (distance) P-C4' energy: -90.223
flat angles C4'-P-C4' energy: -81.321
flat angles P-C4'-P energy: -58.455
tors. eta vs tors. theta energy: -51.615
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 233
Temperature: 1.100000
Total energy: -592.847810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -592.847810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -592.847810 (E_RNA)
where:
Base-Base interactions energy: -265.209
where: short stacking energy: -211.234
Base-Backbone interact. energy: 4.763
local terms energy: -332.401463
where:
bonds (distance) C4'-P energy: -70.298
bonds (distance) P-C4' energy: -94.317
flat angles C4'-P-C4' energy: -81.002
flat angles P-C4'-P energy: -53.584
tors. eta vs tors. theta energy: -33.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 233
Temperature: 1.150000
Total energy: -559.118645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -559.118645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -559.118645 (E_RNA)
where:
Base-Base interactions energy: -219.825
where: short stacking energy: -181.371
Base-Backbone interact. energy: 2.130
local terms energy: -341.423680
where:
bonds (distance) C4'-P energy: -75.976
bonds (distance) P-C4' energy: -89.688
flat angles C4'-P-C4' energy: -94.785
flat angles P-C4'-P energy: -58.921
tors. eta vs tors. theta energy: -22.054
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: 233
Temperature: 1.200000
Total energy: -519.736052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.736052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.736052 (E_RNA)
where:
Base-Base interactions energy: -206.942
where: short stacking energy: -161.437
Base-Backbone interact. energy: 0.015
local terms energy: -312.809042
where:
bonds (distance) C4'-P energy: -71.715
bonds (distance) P-C4' energy: -86.763
flat angles C4'-P-C4' energy: -73.544
flat angles P-C4'-P energy: -52.543
tors. eta vs tors. theta energy: -28.245
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 233
Temperature: 1.250000
Total energy: -396.834433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -396.834433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -396.834433 (E_RNA)
where:
Base-Base interactions energy: -132.053
where: short stacking energy: -98.863
Base-Backbone interact. energy: -2.528
local terms energy: -262.253652
where:
bonds (distance) C4'-P energy: -75.159
bonds (distance) P-C4' energy: -81.135
flat angles C4'-P-C4' energy: -75.259
flat angles P-C4'-P energy: -55.067
tors. eta vs tors. theta energy: 24.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 233
Temperature: 1.300000
Total energy: -388.022138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -388.022138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -388.022138 (E_RNA)
where:
Base-Base interactions energy: -113.014
where: short stacking energy: -111.311
Base-Backbone interact. energy: 4.286
local terms energy: -279.294649
where:
bonds (distance) C4'-P energy: -80.122
bonds (distance) P-C4' energy: -84.998
flat angles C4'-P-C4' energy: -66.809
flat angles P-C4'-P energy: -38.395
tors. eta vs tors. theta energy: -8.969
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 233
Temperature: 1.350000
Total energy: -362.808695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.808695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.808695 (E_RNA)
where:
Base-Base interactions energy: -98.872
where: short stacking energy: -96.229
Base-Backbone interact. energy: 3.064
local terms energy: -267.001362
where:
bonds (distance) C4'-P energy: -62.330
bonds (distance) P-C4' energy: -86.802
flat angles C4'-P-C4' energy: -81.953
flat angles P-C4'-P energy: -48.143
tors. eta vs tors. theta energy: 12.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 234
Temperature: 0.900000
Total energy: -1215.365342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1215.365342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1215.365342 (E_RNA)
where:
Base-Base interactions energy: -742.317
where: short stacking energy: -405.879
Base-Backbone interact. energy: 0.168
local terms energy: -473.215783
where:
bonds (distance) C4'-P energy: -99.545
bonds (distance) P-C4' energy: -96.764
flat angles C4'-P-C4' energy: -96.396
flat angles P-C4'-P energy: -68.244
tors. eta vs tors. theta energy: -112.267
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: 4
=====================================
Write number: 234
Temperature: 0.950000
Total energy: -1116.159178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1116.159178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1116.159178 (E_RNA)
where:
Base-Base interactions energy: -637.180
where: short stacking energy: -401.693
Base-Backbone interact. energy: -0.572
local terms energy: -478.407413
where:
bonds (distance) C4'-P energy: -96.104
bonds (distance) P-C4' energy: -96.885
flat angles C4'-P-C4' energy: -92.262
flat angles P-C4'-P energy: -70.863
tors. eta vs tors. theta energy: -122.294
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 234
Temperature: 1.000000
Total energy: -936.400291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -936.400291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -936.400291 (E_RNA)
where:
Base-Base interactions energy: -512.415
where: short stacking energy: -315.070
Base-Backbone interact. energy: -1.410
local terms energy: -422.575327
where:
bonds (distance) C4'-P energy: -77.460
bonds (distance) P-C4' energy: -97.093
flat angles C4'-P-C4' energy: -94.942
flat angles P-C4'-P energy: -66.720
tors. eta vs tors. theta energy: -86.360
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 234
Temperature: 1.050000
Total energy: -699.043930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -699.043930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -699.043930 (E_RNA)
where:
Base-Base interactions energy: -345.975
where: short stacking energy: -246.837
Base-Backbone interact. energy: -2.399
local terms energy: -350.670184
where:
bonds (distance) C4'-P energy: -90.060
bonds (distance) P-C4' energy: -76.225
flat angles C4'-P-C4' energy: -88.948
flat angles P-C4'-P energy: -47.524
tors. eta vs tors. theta energy: -47.912
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: 8
=====================================
Write number: 234
Temperature: 1.100000
Total energy: -595.576688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -595.576688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -595.576688 (E_RNA)
where:
Base-Base interactions energy: -260.446
where: short stacking energy: -203.586
Base-Backbone interact. energy: -3.477
local terms energy: -331.653860
where:
bonds (distance) C4'-P energy: -82.977
bonds (distance) P-C4' energy: -86.004
flat angles C4'-P-C4' energy: -83.528
flat angles P-C4'-P energy: -52.891
tors. eta vs tors. theta energy: -26.254
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 234
Temperature: 1.150000
Total energy: -591.291226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -591.291226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -591.291226 (E_RNA)
where:
Base-Base interactions energy: -239.234
where: short stacking energy: -190.935
Base-Backbone interact. energy: 1.298
local terms energy: -353.355564
where:
bonds (distance) C4'-P energy: -90.307
bonds (distance) P-C4' energy: -85.883
flat angles C4'-P-C4' energy: -93.338
flat angles P-C4'-P energy: -40.364
tors. eta vs tors. theta energy: -43.463
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: 234
Temperature: 1.200000
Total energy: -489.165372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -489.165372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -489.165372 (E_RNA)
where:
Base-Base interactions energy: -219.705
where: short stacking energy: -164.811
Base-Backbone interact. energy: -1.084
local terms energy: -268.376289
where:
bonds (distance) C4'-P energy: -74.690
bonds (distance) P-C4' energy: -74.708
flat angles C4'-P-C4' energy: -69.168
flat angles P-C4'-P energy: -51.288
tors. eta vs tors. theta energy: 1.478
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: 10
=====================================
Write number: 234
Temperature: 1.250000
Total energy: -399.324000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -399.324000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -399.324000 (E_RNA)
where:
Base-Base interactions energy: -117.692
where: short stacking energy: -116.542
Base-Backbone interact. energy: 3.410
local terms energy: -285.042490
where:
bonds (distance) C4'-P energy: -74.476
bonds (distance) P-C4' energy: -79.592
flat angles C4'-P-C4' energy: -71.773
flat angles P-C4'-P energy: -53.133
tors. eta vs tors. theta energy: -6.068
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: 5
=====================================
Write number: 234
Temperature: 1.300000
Total energy: -361.795011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.795011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.795011 (E_RNA)
where:
Base-Base interactions energy: -108.388
where: short stacking energy: -92.705
Base-Backbone interact. energy: -0.471
local terms energy: -252.935455
where:
bonds (distance) C4'-P energy: -93.089
bonds (distance) P-C4' energy: -66.272
flat angles C4'-P-C4' energy: -66.969
flat angles P-C4'-P energy: -39.078
tors. eta vs tors. theta energy: 12.472
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: 9
=====================================
Write number: 234
Temperature: 1.350000
Total energy: -341.137786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.137786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.137786 (E_RNA)
where:
Base-Base interactions energy: -106.145
where: short stacking energy: -85.444
Base-Backbone interact. energy: 2.664
local terms energy: -237.657007
where:
bonds (distance) C4'-P energy: -65.494
bonds (distance) P-C4' energy: -91.189
flat angles C4'-P-C4' energy: -69.799
flat angles P-C4'-P energy: -31.356
tors. eta vs tors. theta energy: 20.181
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: 1
=====================================
Write number: 235
Temperature: 0.900000
Total energy: -1231.987939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1231.987939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1231.987939 (E_RNA)
where:
Base-Base interactions energy: -767.839
where: short stacking energy: -411.660
Base-Backbone interact. energy: 0.116
local terms energy: -464.264713
where:
bonds (distance) C4'-P energy: -83.098
bonds (distance) P-C4' energy: -93.114
flat angles C4'-P-C4' energy: -109.969
flat angles P-C4'-P energy: -66.063
tors. eta vs tors. theta energy: -112.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 235
Temperature: 0.950000
Total energy: -1171.589950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1171.589950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1171.589950 (E_RNA)
where:
Base-Base interactions energy: -708.397
where: short stacking energy: -410.412
Base-Backbone interact. energy: -2.056
local terms energy: -461.137049
where:
bonds (distance) C4'-P energy: -88.238
bonds (distance) P-C4' energy: -93.209
flat angles C4'-P-C4' energy: -104.251
flat angles P-C4'-P energy: -57.468
tors. eta vs tors. theta energy: -117.970
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: 6
=====================================
Write number: 235
Temperature: 1.000000
Total energy: -976.145544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -976.145544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -976.145544 (E_RNA)
where:
Base-Base interactions energy: -556.032
where: short stacking energy: -340.082
Base-Backbone interact. energy: -0.809
local terms energy: -419.304374
where:
bonds (distance) C4'-P energy: -75.661
bonds (distance) P-C4' energy: -88.485
flat angles C4'-P-C4' energy: -93.033
flat angles P-C4'-P energy: -65.319
tors. eta vs tors. theta energy: -96.807
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 235
Temperature: 1.050000
Total energy: -733.956537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -733.956537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -733.956537 (E_RNA)
where:
Base-Base interactions energy: -383.428
where: short stacking energy: -247.183
Base-Backbone interact. energy: 1.155
local terms energy: -351.683586
where:
bonds (distance) C4'-P energy: -79.296
bonds (distance) P-C4' energy: -85.671
flat angles C4'-P-C4' energy: -78.856
flat angles P-C4'-P energy: -50.553
tors. eta vs tors. theta energy: -57.307
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: 8
=====================================
Write number: 235
Temperature: 1.100000
Total energy: -633.003654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -633.003654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -633.003654 (E_RNA)
where:
Base-Base interactions energy: -296.870
where: short stacking energy: -211.938
Base-Backbone interact. energy: 5.029
local terms energy: -341.162129
where:
bonds (distance) C4'-P energy: -72.443
bonds (distance) P-C4' energy: -99.669
flat angles C4'-P-C4' energy: -86.730
flat angles P-C4'-P energy: -40.546
tors. eta vs tors. theta energy: -41.775
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: 3
=====================================
Write number: 235
Temperature: 1.150000
Total energy: -585.950594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -585.950594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -585.950594 (E_RNA)
where:
Base-Base interactions energy: -261.881
where: short stacking energy: -212.537
Base-Backbone interact. energy: -0.594
local terms energy: -323.475332
where:
bonds (distance) C4'-P energy: -71.443
bonds (distance) P-C4' energy: -82.511
flat angles C4'-P-C4' energy: -89.273
flat angles P-C4'-P energy: -41.192
tors. eta vs tors. theta energy: -39.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 235
Temperature: 1.200000
Total energy: -505.298339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.298339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.298339 (E_RNA)
where:
Base-Base interactions energy: -203.475
where: short stacking energy: -159.424
Base-Backbone interact. energy: -2.741
local terms energy: -299.081966
where:
bonds (distance) C4'-P energy: -92.755
bonds (distance) P-C4' energy: -80.250
flat angles C4'-P-C4' energy: -72.444
flat angles P-C4'-P energy: -44.454
tors. eta vs tors. theta energy: -9.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 235
Temperature: 1.250000
Total energy: -408.454645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -408.454645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -408.454645 (E_RNA)
where:
Base-Base interactions energy: -145.683
where: short stacking energy: -102.411
Base-Backbone interact. energy: -2.346
local terms energy: -260.425666
where:
bonds (distance) C4'-P energy: -80.038
bonds (distance) P-C4' energy: -84.031
flat angles C4'-P-C4' energy: -73.496
flat angles P-C4'-P energy: -38.175
tors. eta vs tors. theta energy: 15.314
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: 5
=====================================
Write number: 235
Temperature: 1.300000
Total energy: -377.174016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -377.174016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -377.174016 (E_RNA)
where:
Base-Base interactions energy: -139.855
where: short stacking energy: -114.747
Base-Backbone interact. energy: -1.845
local terms energy: -235.473424
where:
bonds (distance) C4'-P energy: -85.012
bonds (distance) P-C4' energy: -81.909
flat angles C4'-P-C4' energy: -42.617
flat angles P-C4'-P energy: -34.862
tors. eta vs tors. theta energy: 8.927
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 235
Temperature: 1.350000
Total energy: -352.134711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.134711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.134711 (E_RNA)
where:
Base-Base interactions energy: -109.587
where: short stacking energy: -93.922
Base-Backbone interact. energy: 1.067
local terms energy: -243.614943
where:
bonds (distance) C4'-P energy: -82.073
bonds (distance) P-C4' energy: -74.941
flat angles C4'-P-C4' energy: -74.470
flat angles P-C4'-P energy: -24.602
tors. eta vs tors. theta energy: 12.470
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 236
Temperature: 0.900000
Total energy: -1225.055157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1225.055157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1225.055157 (E_RNA)
where:
Base-Base interactions energy: -758.547
where: short stacking energy: -401.145
Base-Backbone interact. energy: -1.850
local terms energy: -464.658354
where:
bonds (distance) C4'-P energy: -92.484
bonds (distance) P-C4' energy: -89.799
flat angles C4'-P-C4' energy: -97.859
flat angles P-C4'-P energy: -71.150
tors. eta vs tors. theta energy: -113.366
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: 4
=====================================
Write number: 236
Temperature: 0.950000
Total energy: -1163.943021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1163.943021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1163.943021 (E_RNA)
where:
Base-Base interactions energy: -685.976
where: short stacking energy: -411.758
Base-Backbone interact. energy: 0.811
local terms energy: -478.778096
where:
bonds (distance) C4'-P energy: -80.185
bonds (distance) P-C4' energy: -103.198
flat angles C4'-P-C4' energy: -99.645
flat angles P-C4'-P energy: -67.872
tors. eta vs tors. theta energy: -127.878
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: 6
=====================================
Write number: 236
Temperature: 1.000000
Total energy: -933.088122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -933.088122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -933.088122 (E_RNA)
where:
Base-Base interactions energy: -513.945
where: short stacking energy: -293.756
Base-Backbone interact. energy: -0.389
local terms energy: -418.754416
where:
bonds (distance) C4'-P energy: -81.581
bonds (distance) P-C4' energy: -93.846
flat angles C4'-P-C4' energy: -100.758
flat angles P-C4'-P energy: -66.822
tors. eta vs tors. theta energy: -75.747
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: 4, replica: 2
=====================================
Write number: 236
Temperature: 1.050000
Total energy: -772.991750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -772.991750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -772.991750 (E_RNA)
where:
Base-Base interactions energy: -400.710
where: short stacking energy: -275.461
Base-Backbone interact. energy: 0.163
local terms energy: -372.444571
where:
bonds (distance) C4'-P energy: -76.137
bonds (distance) P-C4' energy: -90.859
flat angles C4'-P-C4' energy: -95.263
flat angles P-C4'-P energy: -43.923
tors. eta vs tors. theta energy: -66.263
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 236
Temperature: 1.100000
Total energy: -639.125582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -639.125582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -639.125582 (E_RNA)
where:
Base-Base interactions energy: -283.199
where: short stacking energy: -188.534
Base-Backbone interact. energy: -0.910
local terms energy: -355.015869
where:
bonds (distance) C4'-P energy: -94.549
bonds (distance) P-C4' energy: -83.870
flat angles C4'-P-C4' energy: -84.319
flat angles P-C4'-P energy: -64.389
tors. eta vs tors. theta energy: -27.889
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 236
Temperature: 1.150000
Total energy: -604.723905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -604.723905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -604.723905 (E_RNA)
where:
Base-Base interactions energy: -280.932
where: short stacking energy: -199.760
Base-Backbone interact. energy: -1.993
local terms energy: -321.799033
where:
bonds (distance) C4'-P energy: -78.048
bonds (distance) P-C4' energy: -88.866
flat angles C4'-P-C4' energy: -76.301
flat angles P-C4'-P energy: -58.277
tors. eta vs tors. theta energy: -20.308
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: 7
=====================================
Write number: 236
Temperature: 1.200000
Total energy: -476.886497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.886497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.886497 (E_RNA)
where:
Base-Base interactions energy: -208.294
where: short stacking energy: -168.032
Base-Backbone interact. energy: 1.781
local terms energy: -270.373735
where:
bonds (distance) C4'-P energy: -66.765
bonds (distance) P-C4' energy: -80.772
flat angles C4'-P-C4' energy: -76.161
flat angles P-C4'-P energy: -35.833
tors. eta vs tors. theta energy: -10.843
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: 10
=====================================
Write number: 236
Temperature: 1.250000
Total energy: -403.307841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.307841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -403.307841 (E_RNA)
where:
Base-Base interactions energy: -135.635
where: short stacking energy: -106.915
Base-Backbone interact. energy: -0.279
local terms energy: -267.393897
where:
bonds (distance) C4'-P energy: -83.271
bonds (distance) P-C4' energy: -84.057
flat angles C4'-P-C4' energy: -57.719
flat angles P-C4'-P energy: -39.462
tors. eta vs tors. theta energy: -2.885
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: 9, replica: 9
=====================================
Write number: 236
Temperature: 1.300000
Total energy: -374.046941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -374.046941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -374.046941 (E_RNA)
where:
Base-Base interactions energy: -123.016
where: short stacking energy: -102.330
Base-Backbone interact. energy: 5.660
local terms energy: -256.690650
where:
bonds (distance) C4'-P energy: -76.313
bonds (distance) P-C4' energy: -91.078
flat angles C4'-P-C4' energy: -71.834
flat angles P-C4'-P energy: -26.879
tors. eta vs tors. theta energy: 9.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 236
Temperature: 1.350000
Total energy: -350.223866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.223866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.223866 (E_RNA)
where:
Base-Base interactions energy: -99.156
where: short stacking energy: -93.128
Base-Backbone interact. energy: 3.127
local terms energy: -254.194457
where:
bonds (distance) C4'-P energy: -77.819
bonds (distance) P-C4' energy: -85.244
flat angles C4'-P-C4' energy: -70.393
flat angles P-C4'-P energy: -37.377
tors. eta vs tors. theta energy: 16.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 237
Temperature: 0.900000
Total energy: -1237.993456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1237.993456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1237.993456 (E_RNA)
where:
Base-Base interactions energy: -765.440
where: short stacking energy: -414.052
Base-Backbone interact. energy: -0.500
local terms energy: -472.053389
where:
bonds (distance) C4'-P energy: -102.793
bonds (distance) P-C4' energy: -94.472
flat angles C4'-P-C4' energy: -97.631
flat angles P-C4'-P energy: -62.571
tors. eta vs tors. theta energy: -114.585
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 237
Temperature: 0.950000
Total energy: -1143.880631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1143.880631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1143.880631 (E_RNA)
where:
Base-Base interactions energy: -670.417
where: short stacking energy: -388.838
Base-Backbone interact. energy: 0.436
local terms energy: -473.899993
where:
bonds (distance) C4'-P energy: -94.040
bonds (distance) P-C4' energy: -94.747
flat angles C4'-P-C4' energy: -99.922
flat angles P-C4'-P energy: -59.205
tors. eta vs tors. theta energy: -125.986
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 237
Temperature: 1.000000
Total energy: -904.680070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -904.680070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -904.680070 (E_RNA)
where:
Base-Base interactions energy: -508.771
where: short stacking energy: -328.225
Base-Backbone interact. energy: -0.765
local terms energy: -395.144647
where:
bonds (distance) C4'-P energy: -87.388
bonds (distance) P-C4' energy: -92.161
flat angles C4'-P-C4' energy: -83.402
flat angles P-C4'-P energy: -59.266
tors. eta vs tors. theta energy: -72.927
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 237
Temperature: 1.050000
Total energy: -776.017161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -776.017161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -776.017161 (E_RNA)
where:
Base-Base interactions energy: -374.908
where: short stacking energy: -239.282
Base-Backbone interact. energy: -2.368
local terms energy: -398.741141
where:
bonds (distance) C4'-P energy: -89.462
bonds (distance) P-C4' energy: -104.511
flat angles C4'-P-C4' energy: -86.611
flat angles P-C4'-P energy: -59.517
tors. eta vs tors. theta energy: -58.640
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: 5, replica: 3
=====================================
Write number: 237
Temperature: 1.100000
Total energy: -564.147682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -564.147682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -564.147682 (E_RNA)
where:
Base-Base interactions energy: -246.438
where: short stacking energy: -179.252
Base-Backbone interact. energy: 4.278
local terms energy: -321.988012
where:
bonds (distance) C4'-P energy: -96.597
bonds (distance) P-C4' energy: -95.269
flat angles C4'-P-C4' energy: -67.896
flat angles P-C4'-P energy: -55.989
tors. eta vs tors. theta energy: -6.238
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: 237
Temperature: 1.150000
Total energy: -536.055411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.055411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.055411 (E_RNA)
where:
Base-Base interactions energy: -231.373
where: short stacking energy: -159.556
Base-Backbone interact. energy: -0.580
local terms energy: -304.103063
where:
bonds (distance) C4'-P energy: -85.685
bonds (distance) P-C4' energy: -88.403
flat angles C4'-P-C4' energy: -75.922
flat angles P-C4'-P energy: -41.361
tors. eta vs tors. theta energy: -12.732
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 237
Temperature: 1.200000
Total energy: -532.742070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.742070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.742070 (E_RNA)
where:
Base-Base interactions energy: -223.445
where: short stacking energy: -143.876
Base-Backbone interact. energy: 1.223
local terms energy: -310.519553
where:
bonds (distance) C4'-P energy: -87.015
bonds (distance) P-C4' energy: -88.980
flat angles C4'-P-C4' energy: -69.866
flat angles P-C4'-P energy: -53.284
tors. eta vs tors. theta energy: -11.375
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: 8, replica: 9
=====================================
Write number: 237
Temperature: 1.250000
Total energy: -425.827776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -425.827776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -425.827776 (E_RNA)
where:
Base-Base interactions energy: -170.168
where: short stacking energy: -121.419
Base-Backbone interact. energy: -0.121
local terms energy: -255.538621
where:
bonds (distance) C4'-P energy: -72.290
bonds (distance) P-C4' energy: -89.718
flat angles C4'-P-C4' energy: -62.814
flat angles P-C4'-P energy: -33.313
tors. eta vs tors. theta energy: 2.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 237
Temperature: 1.300000
Total energy: -373.610552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.610552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.610552 (E_RNA)
where:
Base-Base interactions energy: -122.372
where: short stacking energy: -115.455
Base-Backbone interact. energy: -2.573
local terms energy: -248.665763
where:
bonds (distance) C4'-P energy: -61.905
bonds (distance) P-C4' energy: -77.147
flat angles C4'-P-C4' energy: -70.807
flat angles P-C4'-P energy: -44.452
tors. eta vs tors. theta energy: 5.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 237
Temperature: 1.350000
Total energy: -358.411979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.411979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.411979 (E_RNA)
where:
Base-Base interactions energy: -122.102
where: short stacking energy: -106.545
Base-Backbone interact. energy: 3.115
local terms energy: -239.425605
where:
bonds (distance) C4'-P energy: -64.035
bonds (distance) P-C4' energy: -68.600
flat angles C4'-P-C4' energy: -75.706
flat angles P-C4'-P energy: -38.151
tors. eta vs tors. theta energy: 7.067
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 238
Temperature: 0.900000
Total energy: -1251.172874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1251.172874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1251.172874 (E_RNA)
where:
Base-Base interactions energy: -797.282
where: short stacking energy: -447.205
Base-Backbone interact. energy: 5.084
local terms energy: -458.975038
where:
bonds (distance) C4'-P energy: -90.596
bonds (distance) P-C4' energy: -82.172
flat angles C4'-P-C4' energy: -105.367
flat angles P-C4'-P energy: -59.096
tors. eta vs tors. theta energy: -121.744
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 238
Temperature: 0.950000
Total energy: -1150.045880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1150.045880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1150.045880 (E_RNA)
where:
Base-Base interactions energy: -675.774
where: short stacking energy: -394.005
Base-Backbone interact. energy: 2.387
local terms energy: -476.659623
where:
bonds (distance) C4'-P energy: -98.952
bonds (distance) P-C4' energy: -96.503
flat angles C4'-P-C4' energy: -99.411
flat angles P-C4'-P energy: -61.168
tors. eta vs tors. theta energy: -120.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 238
Temperature: 1.000000
Total energy: -942.761789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -942.761789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -942.761789 (E_RNA)
where:
Base-Base interactions energy: -530.073
where: short stacking energy: -332.565
Base-Backbone interact. energy: 0.184
local terms energy: -412.872785
where:
bonds (distance) C4'-P energy: -84.790
bonds (distance) P-C4' energy: -96.137
flat angles C4'-P-C4' energy: -95.965
flat angles P-C4'-P energy: -60.630
tors. eta vs tors. theta energy: -75.351
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 238
Temperature: 1.050000
Total energy: -741.347355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -741.347355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -741.347355 (E_RNA)
where:
Base-Base interactions energy: -364.681
where: short stacking energy: -256.913
Base-Backbone interact. energy: 0.151
local terms energy: -376.817412
where:
bonds (distance) C4'-P energy: -91.565
bonds (distance) P-C4' energy: -88.219
flat angles C4'-P-C4' energy: -86.802
flat angles P-C4'-P energy: -54.395
tors. eta vs tors. theta energy: -55.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 238
Temperature: 1.100000
Total energy: -594.494591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -594.494591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -594.494591 (E_RNA)
where:
Base-Base interactions energy: -255.336
where: short stacking energy: -198.428
Base-Backbone interact. energy: -0.171
local terms energy: -338.987287
where:
bonds (distance) C4'-P energy: -86.927
bonds (distance) P-C4' energy: -86.752
flat angles C4'-P-C4' energy: -81.207
flat angles P-C4'-P energy: -49.324
tors. eta vs tors. theta energy: -34.778
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: 238
Temperature: 1.150000
Total energy: -539.316943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.316943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.316943 (E_RNA)
where:
Base-Base interactions energy: -240.041
where: short stacking energy: -181.991
Base-Backbone interact. energy: 2.233
local terms energy: -301.508804
where:
bonds (distance) C4'-P energy: -69.118
bonds (distance) P-C4' energy: -80.502
flat angles C4'-P-C4' energy: -76.530
flat angles P-C4'-P energy: -55.366
tors. eta vs tors. theta energy: -19.993
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: 8
=====================================
Write number: 238
Temperature: 1.200000
Total energy: -525.111273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.111273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.111273 (E_RNA)
where:
Base-Base interactions energy: -216.845
where: short stacking energy: -164.730
Base-Backbone interact. energy: -0.270
local terms energy: -307.996076
where:
bonds (distance) C4'-P energy: -63.515
bonds (distance) P-C4' energy: -91.283
flat angles C4'-P-C4' energy: -68.901
flat angles P-C4'-P energy: -51.462
tors. eta vs tors. theta energy: -32.835
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: 9
=====================================
Write number: 238
Temperature: 1.250000
Total energy: -462.761518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.761518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -462.761518 (E_RNA)
where:
Base-Base interactions energy: -170.739
where: short stacking energy: -147.609
Base-Backbone interact. energy: -2.026
local terms energy: -289.995958
where:
bonds (distance) C4'-P energy: -80.340
bonds (distance) P-C4' energy: -81.073
flat angles C4'-P-C4' energy: -72.167
flat angles P-C4'-P energy: -40.462
tors. eta vs tors. theta energy: -15.954
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 238
Temperature: 1.300000
Total energy: -387.292777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -387.292777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -387.292777 (E_RNA)
where:
Base-Base interactions energy: -138.422
where: short stacking energy: -127.126
Base-Backbone interact. energy: 2.028
local terms energy: -250.898937
where:
bonds (distance) C4'-P energy: -77.217
bonds (distance) P-C4' energy: -87.272
flat angles C4'-P-C4' energy: -55.039
flat angles P-C4'-P energy: -39.709
tors. eta vs tors. theta energy: 8.338
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 238
Temperature: 1.350000
Total energy: -347.779163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.779163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.779163 (E_RNA)
where:
Base-Base interactions energy: -118.282
where: short stacking energy: -110.680
Base-Backbone interact. energy: 3.525
local terms energy: -233.021556
where:
bonds (distance) C4'-P energy: -79.019
bonds (distance) P-C4' energy: -78.221
flat angles C4'-P-C4' energy: -52.182
flat angles P-C4'-P energy: -33.614
tors. eta vs tors. theta energy: 10.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 239
Temperature: 0.900000
Total energy: -1223.043698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1223.043698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1223.043698 (E_RNA)
where:
Base-Base interactions energy: -751.096
where: short stacking energy: -431.564
Base-Backbone interact. energy: 0.557
local terms energy: -472.504978
where:
bonds (distance) C4'-P energy: -88.689
bonds (distance) P-C4' energy: -97.742
flat angles C4'-P-C4' energy: -94.312
flat angles P-C4'-P energy: -58.393
tors. eta vs tors. theta energy: -133.368
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 239
Temperature: 0.950000
Total energy: -1163.276999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1163.276999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1163.276999 (E_RNA)
where:
Base-Base interactions energy: -679.027
where: short stacking energy: -402.125
Base-Backbone interact. energy: -0.191
local terms energy: -484.058616
where:
bonds (distance) C4'-P energy: -93.347
bonds (distance) P-C4' energy: -90.777
flat angles C4'-P-C4' energy: -104.565
flat angles P-C4'-P energy: -65.571
tors. eta vs tors. theta energy: -129.798
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 239
Temperature: 1.000000
Total energy: -969.741336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -969.741336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -969.741336 (E_RNA)
where:
Base-Base interactions energy: -540.230
where: short stacking energy: -323.011
Base-Backbone interact. energy: -1.072
local terms energy: -428.439915
where:
bonds (distance) C4'-P energy: -92.161
bonds (distance) P-C4' energy: -90.362
flat angles C4'-P-C4' energy: -86.759
flat angles P-C4'-P energy: -67.688
tors. eta vs tors. theta energy: -91.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 239
Temperature: 1.050000
Total energy: -731.425678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -731.425678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -731.425678 (E_RNA)
where:
Base-Base interactions energy: -359.236
where: short stacking energy: -261.764
Base-Backbone interact. energy: -1.162
local terms energy: -371.027918
where:
bonds (distance) C4'-P energy: -86.505
bonds (distance) P-C4' energy: -86.759
flat angles C4'-P-C4' energy: -96.672
flat angles P-C4'-P energy: -49.870
tors. eta vs tors. theta energy: -51.221
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: 3
=====================================
Write number: 239
Temperature: 1.100000
Total energy: -573.152885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -573.152885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -573.152885 (E_RNA)
where:
Base-Base interactions energy: -251.586
where: short stacking energy: -200.812
Base-Backbone interact. energy: -0.110
local terms energy: -321.457043
where:
bonds (distance) C4'-P energy: -92.001
bonds (distance) P-C4' energy: -82.993
flat angles C4'-P-C4' energy: -74.458
flat angles P-C4'-P energy: -40.325
tors. eta vs tors. theta energy: -31.680
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: 7
=====================================
Write number: 239
Temperature: 1.150000
Total energy: -546.425123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.425123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.425123 (E_RNA)
where:
Base-Base interactions energy: -245.140
where: short stacking energy: -187.799
Base-Backbone interact. energy: 0.099
local terms energy: -301.383907
where:
bonds (distance) C4'-P energy: -68.819
bonds (distance) P-C4' energy: -79.949
flat angles C4'-P-C4' energy: -72.432
flat angles P-C4'-P energy: -44.573
tors. eta vs tors. theta energy: -35.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 239
Temperature: 1.200000
Total energy: -532.389596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.389596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.389596 (E_RNA)
where:
Base-Base interactions energy: -222.935
where: short stacking energy: -165.500
Base-Backbone interact. energy: -1.026
local terms energy: -308.428564
where:
bonds (distance) C4'-P energy: -73.606
bonds (distance) P-C4' energy: -92.981
flat angles C4'-P-C4' energy: -88.369
flat angles P-C4'-P energy: -46.101
tors. eta vs tors. theta energy: -7.371
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: 9
=====================================
Write number: 239
Temperature: 1.250000
Total energy: -396.346161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -396.346161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -396.346161 (E_RNA)
where:
Base-Base interactions energy: -144.198
where: short stacking energy: -109.079
Base-Backbone interact. energy: -2.100
local terms energy: -250.047626
where:
bonds (distance) C4'-P energy: -81.373
bonds (distance) P-C4' energy: -74.215
flat angles C4'-P-C4' energy: -66.807
flat angles P-C4'-P energy: -43.767
tors. eta vs tors. theta energy: 16.115
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 239
Temperature: 1.300000
Total energy: -407.202424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.202424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -407.202424 (E_RNA)
where:
Base-Base interactions energy: -144.664
where: short stacking energy: -134.362
Base-Backbone interact. energy: 1.117
local terms energy: -263.654595
where:
bonds (distance) C4'-P energy: -66.773
bonds (distance) P-C4' energy: -85.507
flat angles C4'-P-C4' energy: -73.104
flat angles P-C4'-P energy: -30.036
tors. eta vs tors. theta energy: -8.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 239
Temperature: 1.350000
Total energy: -344.027544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.027544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.027544 (E_RNA)
where:
Base-Base interactions energy: -87.836
where: short stacking energy: -76.355
Base-Backbone interact. energy: -0.059
local terms energy: -256.131660
where:
bonds (distance) C4'-P energy: -76.952
bonds (distance) P-C4' energy: -81.419
flat angles C4'-P-C4' energy: -68.389
flat angles P-C4'-P energy: -46.153
tors. eta vs tors. theta energy: 16.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 240
Temperature: 0.900000
Total energy: -1207.876808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1207.876808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1207.876808 (E_RNA)
where:
Base-Base interactions energy: -728.422
where: short stacking energy: -415.517
Base-Backbone interact. energy: -1.683
local terms energy: -477.771828
where:
bonds (distance) C4'-P energy: -102.097
bonds (distance) P-C4' energy: -92.854
flat angles C4'-P-C4' energy: -103.155
flat angles P-C4'-P energy: -61.584
tors. eta vs tors. theta energy: -118.081
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: 240
Temperature: 0.950000
Total energy: -1186.500725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1186.500725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1186.500725 (E_RNA)
where:
Base-Base interactions energy: -685.143
where: short stacking energy: -440.053
Base-Backbone interact. energy: -1.742
local terms energy: -499.616333
where:
bonds (distance) C4'-P energy: -91.046
bonds (distance) P-C4' energy: -94.087
flat angles C4'-P-C4' energy: -101.445
flat angles P-C4'-P energy: -67.956
tors. eta vs tors. theta energy: -145.082
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: 6
=====================================
Write number: 240
Temperature: 1.000000
Total energy: -981.055025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -981.055025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -981.055025 (E_RNA)
where:
Base-Base interactions energy: -562.186
where: short stacking energy: -349.262
Base-Backbone interact. energy: 0.379
local terms energy: -419.248616
where:
bonds (distance) C4'-P energy: -89.118
bonds (distance) P-C4' energy: -90.472
flat angles C4'-P-C4' energy: -104.114
flat angles P-C4'-P energy: -52.782
tors. eta vs tors. theta energy: -82.763
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 240
Temperature: 1.050000
Total energy: -742.092604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -742.092604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -742.092604 (E_RNA)
where:
Base-Base interactions energy: -377.248
where: short stacking energy: -242.597
Base-Backbone interact. energy: -1.275
local terms energy: -363.570146
where:
bonds (distance) C4'-P energy: -79.611
bonds (distance) P-C4' energy: -85.377
flat angles C4'-P-C4' energy: -84.618
flat angles P-C4'-P energy: -59.707
tors. eta vs tors. theta energy: -54.259
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 240
Temperature: 1.100000
Total energy: -608.654814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -608.654814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -608.654814 (E_RNA)
where:
Base-Base interactions energy: -272.738
where: short stacking energy: -227.197
Base-Backbone interact. energy: -1.064
local terms energy: -334.852985
where:
bonds (distance) C4'-P energy: -78.564
bonds (distance) P-C4' energy: -88.440
flat angles C4'-P-C4' energy: -68.782
flat angles P-C4'-P energy: -50.336
tors. eta vs tors. theta energy: -48.731
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: 6, replica: 3
=====================================
Write number: 240
Temperature: 1.150000
Total energy: -523.147403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.147403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.147403 (E_RNA)
where:
Base-Base interactions energy: -222.765
where: short stacking energy: -180.367
Base-Backbone interact. energy: 2.126
local terms energy: -302.508106
where:
bonds (distance) C4'-P energy: -74.662
bonds (distance) P-C4' energy: -83.259
flat angles C4'-P-C4' energy: -80.572
flat angles P-C4'-P energy: -49.942
tors. eta vs tors. theta energy: -14.073
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 240
Temperature: 1.200000
Total energy: -514.799453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.799453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.799453 (E_RNA)
where:
Base-Base interactions energy: -225.127
where: short stacking energy: -184.729
Base-Backbone interact. energy: 1.318
local terms energy: -290.990403
where:
bonds (distance) C4'-P energy: -73.189
bonds (distance) P-C4' energy: -78.884
flat angles C4'-P-C4' energy: -72.121
flat angles P-C4'-P energy: -42.695
tors. eta vs tors. theta energy: -24.103
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 240
Temperature: 1.250000
Total energy: -400.702827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -400.702827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -400.702827 (E_RNA)
where:
Base-Base interactions energy: -137.575
where: short stacking energy: -116.771
Base-Backbone interact. energy: 2.740
local terms energy: -265.866933
where:
bonds (distance) C4'-P energy: -71.858
bonds (distance) P-C4' energy: -82.007
flat angles C4'-P-C4' energy: -75.803
flat angles P-C4'-P energy: -40.952
tors. eta vs tors. theta energy: 4.754
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 240
Temperature: 1.300000
Total energy: -379.821112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -379.821112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -379.821112 (E_RNA)
where:
Base-Base interactions energy: -119.020
where: short stacking energy: -104.907
Base-Backbone interact. energy: -1.522
local terms energy: -259.279089
where:
bonds (distance) C4'-P energy: -71.603
bonds (distance) P-C4' energy: -72.241
flat angles C4'-P-C4' energy: -75.103
flat angles P-C4'-P energy: -44.830
tors. eta vs tors. theta energy: 4.498
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: 5
=====================================
Write number: 240
Temperature: 1.350000
Total energy: -360.555492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.555492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.555492 (E_RNA)
where:
Base-Base interactions energy: -129.256
where: short stacking energy: -120.123
Base-Backbone interact. energy: 2.961
local terms energy: -234.259855
where:
bonds (distance) C4'-P energy: -56.244
bonds (distance) P-C4' energy: -87.739
flat angles C4'-P-C4' energy: -60.547
flat angles P-C4'-P energy: -38.969
tors. eta vs tors. theta energy: 9.238
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: 241
Temperature: 0.900000
Total energy: -1267.902499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1267.902499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1267.902499 (E_RNA)
where:
Base-Base interactions energy: -783.986
where: short stacking energy: -441.656
Base-Backbone interact. energy: -2.204
local terms energy: -481.711574
where:
bonds (distance) C4'-P energy: -88.873
bonds (distance) P-C4' energy: -100.714
flat angles C4'-P-C4' energy: -99.624
flat angles P-C4'-P energy: -70.115
tors. eta vs tors. theta energy: -122.384
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: 2, replica: 4
=====================================
Write number: 241
Temperature: 0.950000
Total energy: -1186.363257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1186.363257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1186.363257 (E_RNA)
where:
Base-Base interactions energy: -697.198
where: short stacking energy: -415.061
Base-Backbone interact. energy: 0.335
local terms energy: -489.500193
where:
bonds (distance) C4'-P energy: -95.438
bonds (distance) P-C4' energy: -92.165
flat angles C4'-P-C4' energy: -102.288
flat angles P-C4'-P energy: -64.137
tors. eta vs tors. theta energy: -135.472
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: 6
=====================================
Write number: 241
Temperature: 1.000000
Total energy: -967.787630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -967.787630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -967.787630 (E_RNA)
where:
Base-Base interactions energy: -562.397
where: short stacking energy: -354.718
Base-Backbone interact. energy: 0.315
local terms energy: -405.705577
where:
bonds (distance) C4'-P energy: -71.801
bonds (distance) P-C4' energy: -93.016
flat angles C4'-P-C4' energy: -87.851
flat angles P-C4'-P energy: -60.644
tors. eta vs tors. theta energy: -92.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 241
Temperature: 1.050000
Total energy: -817.993413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -817.993413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -817.993413 (E_RNA)
where:
Base-Base interactions energy: -409.237
where: short stacking energy: -270.017
Base-Backbone interact. energy: -1.194
local terms energy: -407.562250
where:
bonds (distance) C4'-P energy: -90.343
bonds (distance) P-C4' energy: -90.613
flat angles C4'-P-C4' energy: -93.598
flat angles P-C4'-P energy: -66.012
tors. eta vs tors. theta energy: -66.997
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: 5, replica: 7
=====================================
Write number: 241
Temperature: 1.100000
Total energy: -629.491077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -629.491077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -629.491077 (E_RNA)
where:
Base-Base interactions energy: -291.098
where: short stacking energy: -219.603
Base-Backbone interact. energy: -0.175
local terms energy: -338.218372
where:
bonds (distance) C4'-P energy: -79.089
bonds (distance) P-C4' energy: -79.907
flat angles C4'-P-C4' energy: -84.729
flat angles P-C4'-P energy: -56.754
tors. eta vs tors. theta energy: -37.739
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: 8
=====================================
Write number: 241
Temperature: 1.150000
Total energy: -559.648431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -559.648431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -559.648431 (E_RNA)
where:
Base-Base interactions energy: -231.979
where: short stacking energy: -172.678
Base-Backbone interact. energy: -0.011
local terms energy: -327.659135
where:
bonds (distance) C4'-P energy: -73.679
bonds (distance) P-C4' energy: -96.351
flat angles C4'-P-C4' energy: -86.715
flat angles P-C4'-P energy: -53.491
tors. eta vs tors. theta energy: -17.423
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 241
Temperature: 1.200000
Total energy: -442.656802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -442.656802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -442.656802 (E_RNA)
where:
Base-Base interactions energy: -167.576
where: short stacking energy: -134.343
Base-Backbone interact. energy: 1.500
local terms energy: -276.580456
where:
bonds (distance) C4'-P energy: -85.108
bonds (distance) P-C4' energy: -83.255
flat angles C4'-P-C4' energy: -67.210
flat angles P-C4'-P energy: -45.819
tors. eta vs tors. theta energy: 4.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 241
Temperature: 1.250000
Total energy: -421.682054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.682054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -421.682054 (E_RNA)
where:
Base-Base interactions energy: -140.200
where: short stacking energy: -136.655
Base-Backbone interact. energy: -1.097
local terms energy: -280.384361
where:
bonds (distance) C4'-P energy: -85.191
bonds (distance) P-C4' energy: -82.775
flat angles C4'-P-C4' energy: -68.486
flat angles P-C4'-P energy: -40.874
tors. eta vs tors. theta energy: -3.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 241
Temperature: 1.300000
Total energy: -380.763239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -380.763239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -380.763239 (E_RNA)
where:
Base-Base interactions energy: -138.499
where: short stacking energy: -125.850
Base-Backbone interact. energy: 0.585
local terms energy: -242.848508
where:
bonds (distance) C4'-P energy: -74.254
bonds (distance) P-C4' energy: -85.541
flat angles C4'-P-C4' energy: -53.153
flat angles P-C4'-P energy: -37.509
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: 5
=====================================
Write number: 241
Temperature: 1.350000
Total energy: -339.888152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.888152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.888152 (E_RNA)
where:
Base-Base interactions energy: -103.886
where: short stacking energy: -102.834
Base-Backbone interact. energy: -0.009
local terms energy: -235.992978
where:
bonds (distance) C4'-P energy: -72.343
bonds (distance) P-C4' energy: -82.398
flat angles C4'-P-C4' energy: -57.138
flat angles P-C4'-P energy: -43.103
tors. eta vs tors. theta energy: 18.988
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: 1
=====================================
Write number: 242
Temperature: 0.900000
Total energy: -1260.332809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1260.332809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1260.332809 (E_RNA)
where:
Base-Base interactions energy: -778.665
where: short stacking energy: -413.745
Base-Backbone interact. energy: -1.983
local terms energy: -479.684979
where:
bonds (distance) C4'-P energy: -93.148
bonds (distance) P-C4' energy: -89.336
flat angles C4'-P-C4' energy: -107.473
flat angles P-C4'-P energy: -66.581
tors. eta vs tors. theta energy: -123.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 242
Temperature: 0.950000
Total energy: -1184.567793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1184.567793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1184.567793 (E_RNA)
where:
Base-Base interactions energy: -705.945
where: short stacking energy: -432.562
Base-Backbone interact. energy: -0.342
local terms energy: -478.280826
where:
bonds (distance) C4'-P energy: -94.525
bonds (distance) P-C4' energy: -91.537
flat angles C4'-P-C4' energy: -99.646
flat angles P-C4'-P energy: -66.171
tors. eta vs tors. theta energy: -126.402
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: 242
Temperature: 1.000000
Total energy: -984.762110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -984.762110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -984.762110 (E_RNA)
where:
Base-Base interactions energy: -549.509
where: short stacking energy: -356.913
Base-Backbone interact. energy: 1.391
local terms energy: -436.643592
where:
bonds (distance) C4'-P energy: -92.435
bonds (distance) P-C4' energy: -91.864
flat angles C4'-P-C4' energy: -99.223
flat angles P-C4'-P energy: -42.735
tors. eta vs tors. theta energy: -110.386
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 242
Temperature: 1.050000
Total energy: -769.224162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -769.224162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -769.224162 (E_RNA)
where:
Base-Base interactions energy: -367.282
where: short stacking energy: -245.563
Base-Backbone interact. energy: -1.477
local terms energy: -400.464803
where:
bonds (distance) C4'-P energy: -86.585
bonds (distance) P-C4' energy: -101.716
flat angles C4'-P-C4' energy: -82.463
flat angles P-C4'-P energy: -62.758
tors. eta vs tors. theta energy: -66.943
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 242
Temperature: 1.100000
Total energy: -633.871120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -633.871120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -633.871120 (E_RNA)
where:
Base-Base interactions energy: -278.163
where: short stacking energy: -223.192
Base-Backbone interact. energy: -1.369
local terms energy: -354.338762
where:
bonds (distance) C4'-P energy: -90.557
bonds (distance) P-C4' energy: -82.231
flat angles C4'-P-C4' energy: -82.405
flat angles P-C4'-P energy: -61.991
tors. eta vs tors. theta energy: -37.155
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: 8
=====================================
Write number: 242
Temperature: 1.150000
Total energy: -585.381339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -585.381339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -585.381339 (E_RNA)
where:
Base-Base interactions energy: -276.991
where: short stacking energy: -210.152
Base-Backbone interact. energy: 1.871
local terms energy: -310.260390
where:
bonds (distance) C4'-P energy: -68.940
bonds (distance) P-C4' energy: -81.540
flat angles C4'-P-C4' energy: -72.722
flat angles P-C4'-P energy: -49.063
tors. eta vs tors. theta energy: -37.996
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 242
Temperature: 1.200000
Total energy: -489.583736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -489.583736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -489.583736 (E_RNA)
where:
Base-Base interactions energy: -183.161
where: short stacking energy: -135.215
Base-Backbone interact. energy: 0.964
local terms energy: -307.387439
where:
bonds (distance) C4'-P energy: -85.501
bonds (distance) P-C4' energy: -85.055
flat angles C4'-P-C4' energy: -78.093
flat angles P-C4'-P energy: -39.324
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: 8, replica: 9
=====================================
Write number: 242
Temperature: 1.250000
Total energy: -416.238751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.238751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.238751 (E_RNA)
where:
Base-Base interactions energy: -158.107
where: short stacking energy: -131.336
Base-Backbone interact. energy: -0.389
local terms energy: -257.742906
where:
bonds (distance) C4'-P energy: -78.034
bonds (distance) P-C4' energy: -79.207
flat angles C4'-P-C4' energy: -62.029
flat angles P-C4'-P energy: -34.918
tors. eta vs tors. theta energy: -3.554
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: 10
=====================================
Write number: 242
Temperature: 1.300000
Total energy: -370.107301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.107301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.107301 (E_RNA)
where:
Base-Base interactions energy: -131.223
where: short stacking energy: -106.263
Base-Backbone interact. energy: -1.374
local terms energy: -237.509753
where:
bonds (distance) C4'-P energy: -85.674
bonds (distance) P-C4' energy: -75.021
flat angles C4'-P-C4' energy: -57.274
flat angles P-C4'-P energy: -35.131
tors. eta vs tors. theta energy: 15.590
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: 5
=====================================
Write number: 242
Temperature: 1.350000
Total energy: -355.918675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.918675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.918675 (E_RNA)
where:
Base-Base interactions energy: -104.674
where: short stacking energy: -100.277
Base-Backbone interact. energy: 1.227
local terms energy: -252.470931
where:
bonds (distance) C4'-P energy: -79.936
bonds (distance) P-C4' energy: -83.667
flat angles C4'-P-C4' energy: -65.910
flat angles P-C4'-P energy: -36.110
tors. eta vs tors. theta energy: 13.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 243
Temperature: 0.900000
Total energy: -1225.452807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1225.452807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1225.452807 (E_RNA)
where:
Base-Base interactions energy: -744.728
where: short stacking energy: -424.608
Base-Backbone interact. energy: -0.978
local terms energy: -479.746178
where:
bonds (distance) C4'-P energy: -87.925
bonds (distance) P-C4' energy: -96.819
flat angles C4'-P-C4' energy: -94.338
flat angles P-C4'-P energy: -72.784
tors. eta vs tors. theta energy: -127.880
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 243
Temperature: 0.950000
Total energy: -1198.130641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1198.130641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1198.130641 (E_RNA)
where:
Base-Base interactions energy: -701.279
where: short stacking energy: -414.583
Base-Backbone interact. energy: -0.901
local terms energy: -495.950607
where:
bonds (distance) C4'-P energy: -100.519
bonds (distance) P-C4' energy: -97.956
flat angles C4'-P-C4' energy: -101.022
flat angles P-C4'-P energy: -67.107
tors. eta vs tors. theta energy: -129.346
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 243
Temperature: 1.000000
Total energy: -938.136666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -938.136666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -938.136666 (E_RNA)
where:
Base-Base interactions energy: -518.426
where: short stacking energy: -315.806
Base-Backbone interact. energy: -1.525
local terms energy: -418.185895
where:
bonds (distance) C4'-P energy: -86.989
bonds (distance) P-C4' energy: -83.623
flat angles C4'-P-C4' energy: -93.883
flat angles P-C4'-P energy: -62.561
tors. eta vs tors. theta energy: -91.130
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 243
Temperature: 1.050000
Total energy: -747.626229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -747.626229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -747.626229 (E_RNA)
where:
Base-Base interactions energy: -387.656
where: short stacking energy: -243.820
Base-Backbone interact. energy: 2.242
local terms energy: -362.212435
where:
bonds (distance) C4'-P energy: -82.457
bonds (distance) P-C4' energy: -88.127
flat angles C4'-P-C4' energy: -75.314
flat angles P-C4'-P energy: -72.061
tors. eta vs tors. theta energy: -44.253
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: 7
=====================================
Write number: 243
Temperature: 1.100000
Total energy: -612.767849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -612.767849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -612.767849 (E_RNA)
where:
Base-Base interactions energy: -268.178
where: short stacking energy: -206.239
Base-Backbone interact. energy: 0.291
local terms energy: -344.880462
where:
bonds (distance) C4'-P energy: -93.798
bonds (distance) P-C4' energy: -86.801
flat angles C4'-P-C4' energy: -81.083
flat angles P-C4'-P energy: -50.236
tors. eta vs tors. theta energy: -32.963
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 243
Temperature: 1.150000
Total energy: -578.366582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -578.366582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -578.366582 (E_RNA)
where:
Base-Base interactions energy: -255.694
where: short stacking energy: -171.966
Base-Backbone interact. energy: 0.871
local terms energy: -323.543587
where:
bonds (distance) C4'-P energy: -86.439
bonds (distance) P-C4' energy: -83.284
flat angles C4'-P-C4' energy: -82.108
flat angles P-C4'-P energy: -58.437
tors. eta vs tors. theta energy: -13.276
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 243
Temperature: 1.200000
Total energy: -453.398320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -453.398320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -453.398320 (E_RNA)
where:
Base-Base interactions energy: -179.132
where: short stacking energy: -138.408
Base-Backbone interact. energy: -1.166
local terms energy: -273.100055
where:
bonds (distance) C4'-P energy: -89.319
bonds (distance) P-C4' energy: -86.780
flat angles C4'-P-C4' energy: -55.453
flat angles P-C4'-P energy: -35.474
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: 8, replica: 10
=====================================
Write number: 243
Temperature: 1.250000
Total energy: -424.856044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -424.856044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -424.856044 (E_RNA)
where:
Base-Base interactions energy: -152.379
where: short stacking energy: -113.274
Base-Backbone interact. energy: -2.005
local terms energy: -270.472359
where:
bonds (distance) C4'-P energy: -85.280
bonds (distance) P-C4' energy: -85.264
flat angles C4'-P-C4' energy: -61.477
flat angles P-C4'-P energy: -39.986
tors. eta vs tors. theta energy: 1.534
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: 243
Temperature: 1.300000
Total energy: -368.025245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.025245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.025245 (E_RNA)
where:
Base-Base interactions energy: -112.821
where: short stacking energy: -95.778
Base-Backbone interact. energy: -2.063
local terms energy: -253.141301
where:
bonds (distance) C4'-P energy: -81.249
bonds (distance) P-C4' energy: -72.350
flat angles C4'-P-C4' energy: -73.209
flat angles P-C4'-P energy: -44.161
tors. eta vs tors. theta energy: 17.827
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 243
Temperature: 1.350000
Total energy: -360.552452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.552452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.552452 (E_RNA)
where:
Base-Base interactions energy: -130.111
where: short stacking energy: -109.529
Base-Backbone interact. energy: -0.493
local terms energy: -229.948025
where:
bonds (distance) C4'-P energy: -73.220
bonds (distance) P-C4' energy: -74.242
flat angles C4'-P-C4' energy: -53.055
flat angles P-C4'-P energy: -41.095
tors. eta vs tors. theta energy: 11.663
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 244
Temperature: 0.900000
Total energy: -1233.564408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1233.564408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1233.564408 (E_RNA)
where:
Base-Base interactions energy: -746.810
where: short stacking energy: -400.676
Base-Backbone interact. energy: -0.764
local terms energy: -485.990673
where:
bonds (distance) C4'-P energy: -95.829
bonds (distance) P-C4' energy: -93.375
flat angles C4'-P-C4' energy: -109.290
flat angles P-C4'-P energy: -77.326
tors. eta vs tors. theta energy: -110.170
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: 244
Temperature: 0.950000
Total energy: -1187.556308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1187.556308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1187.556308 (E_RNA)
where:
Base-Base interactions energy: -709.656
where: short stacking energy: -429.400
Base-Backbone interact. energy: 0.423
local terms energy: -478.323442
where:
bonds (distance) C4'-P energy: -95.110
bonds (distance) P-C4' energy: -86.397
flat angles C4'-P-C4' energy: -96.908
flat angles P-C4'-P energy: -64.829
tors. eta vs tors. theta energy: -135.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 244
Temperature: 1.000000
Total energy: -930.077729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -930.077729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -930.077729 (E_RNA)
where:
Base-Base interactions energy: -493.409
where: short stacking energy: -301.607
Base-Backbone interact. energy: -1.651
local terms energy: -435.017624
where:
bonds (distance) C4'-P energy: -104.533
bonds (distance) P-C4' energy: -91.997
flat angles C4'-P-C4' energy: -95.826
flat angles P-C4'-P energy: -70.584
tors. eta vs tors. theta energy: -72.077
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: 2
=====================================
Write number: 244
Temperature: 1.050000
Total energy: -768.836538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -768.836538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -768.836538 (E_RNA)
where:
Base-Base interactions energy: -374.600
where: short stacking energy: -238.866
Base-Backbone interact. energy: 0.415
local terms energy: -394.651786
where:
bonds (distance) C4'-P energy: -78.090
bonds (distance) P-C4' energy: -92.367
flat angles C4'-P-C4' energy: -84.470
flat angles P-C4'-P energy: -64.696
tors. eta vs tors. theta energy: -75.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 244
Temperature: 1.100000
Total energy: -598.019351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -598.019351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -598.019351 (E_RNA)
where:
Base-Base interactions energy: -257.239
where: short stacking energy: -194.851
Base-Backbone interact. energy: -0.165
local terms energy: -340.615333
where:
bonds (distance) C4'-P energy: -76.937
bonds (distance) P-C4' energy: -87.500
flat angles C4'-P-C4' energy: -79.066
flat angles P-C4'-P energy: -62.384
tors. eta vs tors. theta energy: -34.729
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 244
Temperature: 1.150000
Total energy: -573.530317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -573.530317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -573.530317 (E_RNA)
where:
Base-Base interactions energy: -247.102
where: short stacking energy: -193.602
Base-Backbone interact. energy: 2.661
local terms energy: -329.089085
where:
bonds (distance) C4'-P energy: -90.946
bonds (distance) P-C4' energy: -77.607
flat angles C4'-P-C4' energy: -94.402
flat angles P-C4'-P energy: -38.656
tors. eta vs tors. theta energy: -27.478
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: 3
=====================================
Write number: 244
Temperature: 1.200000
Total energy: -492.954510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.954510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.954510 (E_RNA)
where:
Base-Base interactions energy: -190.627
where: short stacking energy: -126.542
Base-Backbone interact. energy: -1.338
local terms energy: -300.989334
where:
bonds (distance) C4'-P energy: -79.628
bonds (distance) P-C4' energy: -77.399
flat angles C4'-P-C4' energy: -90.814
flat angles P-C4'-P energy: -49.791
tors. eta vs tors. theta energy: -3.357
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 244
Temperature: 1.250000
Total energy: -387.851498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -387.851498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -387.851498 (E_RNA)
where:
Base-Base interactions energy: -128.568
where: short stacking energy: -111.407
Base-Backbone interact. energy: -0.709
local terms energy: -258.573791
where:
bonds (distance) C4'-P energy: -72.696
bonds (distance) P-C4' energy: -75.492
flat angles C4'-P-C4' energy: -83.588
flat angles P-C4'-P energy: -39.671
tors. eta vs tors. theta energy: 12.874
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: 5
=====================================
Write number: 244
Temperature: 1.300000
Total energy: -361.500331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.500331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.500331 (E_RNA)
where:
Base-Base interactions energy: -118.740
where: short stacking energy: -111.808
Base-Backbone interact. energy: -0.819
local terms energy: -241.941827
where:
bonds (distance) C4'-P energy: -77.489
bonds (distance) P-C4' energy: -88.457
flat angles C4'-P-C4' energy: -55.596
flat angles P-C4'-P energy: -23.246
tors. eta vs tors. theta energy: 2.845
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: 9
=====================================
Write number: 244
Temperature: 1.350000
Total energy: -349.802604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.802604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.802604 (E_RNA)
where:
Base-Base interactions energy: -99.980
where: short stacking energy: -89.290
Base-Backbone interact. energy: 0.630
local terms energy: -250.452357
where:
bonds (distance) C4'-P energy: -85.330
bonds (distance) P-C4' energy: -66.656
flat angles C4'-P-C4' energy: -68.856
flat angles P-C4'-P energy: -39.858
tors. eta vs tors. theta energy: 10.248
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: 1, replica: 1
=====================================
Write number: 245
Temperature: 0.900000
Total energy: -1215.589665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1215.589665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1215.589665 (E_RNA)
where:
Base-Base interactions energy: -738.108
where: short stacking energy: -398.211
Base-Backbone interact. energy: -2.354
local terms energy: -475.127242
where:
bonds (distance) C4'-P energy: -96.945
bonds (distance) P-C4' energy: -95.625
flat angles C4'-P-C4' energy: -105.214
flat angles P-C4'-P energy: -63.749
tors. eta vs tors. theta energy: -113.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 245
Temperature: 0.950000
Total energy: -1134.754973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1134.754973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1134.754973 (E_RNA)
where:
Base-Base interactions energy: -657.786
where: short stacking energy: -368.516
Base-Backbone interact. energy: 3.361
local terms energy: -480.329372
where:
bonds (distance) C4'-P energy: -92.477
bonds (distance) P-C4' energy: -91.491
flat angles C4'-P-C4' energy: -108.984
flat angles P-C4'-P energy: -68.403
tors. eta vs tors. theta energy: -118.974
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: 6
=====================================
Write number: 245
Temperature: 1.000000
Total energy: -945.330406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -945.330406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -945.330406 (E_RNA)
where:
Base-Base interactions energy: -543.482
where: short stacking energy: -339.907
Base-Backbone interact. energy: 0.147
local terms energy: -401.995536
where:
bonds (distance) C4'-P energy: -77.748
bonds (distance) P-C4' energy: -95.570
flat angles C4'-P-C4' energy: -82.638
flat angles P-C4'-P energy: -59.611
tors. eta vs tors. theta energy: -86.429
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: 2
=====================================
Write number: 245
Temperature: 1.050000
Total energy: -771.317624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -771.317624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -771.317624 (E_RNA)
where:
Base-Base interactions energy: -401.773
where: short stacking energy: -252.291
Base-Backbone interact. energy: -1.370
local terms energy: -368.174061
where:
bonds (distance) C4'-P energy: -86.794
bonds (distance) P-C4' energy: -89.155
flat angles C4'-P-C4' energy: -77.938
flat angles P-C4'-P energy: -57.313
tors. eta vs tors. theta energy: -56.974
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: 7
=====================================
Write number: 245
Temperature: 1.100000
Total energy: -590.727647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -590.727647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -590.727647 (E_RNA)
where:
Base-Base interactions energy: -240.380
where: short stacking energy: -183.105
Base-Backbone interact. energy: -0.584
local terms energy: -349.762761
where:
bonds (distance) C4'-P energy: -83.027
bonds (distance) P-C4' energy: -100.640
flat angles C4'-P-C4' energy: -88.182
flat angles P-C4'-P energy: -46.418
tors. eta vs tors. theta energy: -31.495
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 245
Temperature: 1.150000
Total energy: -571.264509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -571.264509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -571.264509 (E_RNA)
where:
Base-Base interactions energy: -243.270
where: short stacking energy: -183.570
Base-Backbone interact. energy: -0.755
local terms energy: -327.239730
where:
bonds (distance) C4'-P energy: -79.544
bonds (distance) P-C4' energy: -88.711
flat angles C4'-P-C4' energy: -71.163
flat angles P-C4'-P energy: -57.721
tors. eta vs tors. theta energy: -30.101
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 245
Temperature: 1.200000
Total energy: -442.038944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -442.038944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -442.038944 (E_RNA)
where:
Base-Base interactions energy: -156.077
where: short stacking energy: -114.444
Base-Backbone interact. energy: 0.361
local terms energy: -286.323110
where:
bonds (distance) C4'-P energy: -99.701
bonds (distance) P-C4' energy: -82.992
flat angles C4'-P-C4' energy: -55.458
flat angles P-C4'-P energy: -48.602
tors. eta vs tors. theta energy: 0.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 245
Temperature: 1.250000
Total energy: -447.481849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -447.481849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -447.481849 (E_RNA)
where:
Base-Base interactions energy: -164.827
where: short stacking energy: -137.779
Base-Backbone interact. energy: -0.390
local terms energy: -282.264608
where:
bonds (distance) C4'-P energy: -75.136
bonds (distance) P-C4' energy: -80.610
flat angles C4'-P-C4' energy: -68.224
flat angles P-C4'-P energy: -52.469
tors. eta vs tors. theta energy: -5.825
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 245
Temperature: 1.300000
Total energy: -367.360718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.360718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.360718 (E_RNA)
where:
Base-Base interactions energy: -135.407
where: short stacking energy: -119.340
Base-Backbone interact. energy: 5.802
local terms energy: -237.755912
where:
bonds (distance) C4'-P energy: -65.428
bonds (distance) P-C4' energy: -77.460
flat angles C4'-P-C4' energy: -61.911
flat angles P-C4'-P energy: -36.157
tors. eta vs tors. theta energy: 3.199
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: 10, replica: 9
=====================================
Write number: 245
Temperature: 1.350000
Total energy: -368.913583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.913583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.913583 (E_RNA)
where:
Base-Base interactions energy: -103.320
where: short stacking energy: -86.778
Base-Backbone interact. energy: 7.769
local terms energy: -273.362546
where:
bonds (distance) C4'-P energy: -77.310
bonds (distance) P-C4' energy: -81.434
flat angles C4'-P-C4' energy: -76.154
flat angles P-C4'-P energy: -46.138
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: 246
Temperature: 0.900000
Total energy: -1274.097405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1274.097405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1274.097405 (E_RNA)
where:
Base-Base interactions energy: -778.715
where: short stacking energy: -431.504
Base-Backbone interact. energy: -3.758
local terms energy: -491.624630
where:
bonds (distance) C4'-P energy: -93.474
bonds (distance) P-C4' energy: -98.744
flat angles C4'-P-C4' energy: -97.516
flat angles P-C4'-P energy: -70.365
tors. eta vs tors. theta energy: -131.526
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 246
Temperature: 0.950000
Total energy: -1136.991651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1136.991651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1136.991651 (E_RNA)
where:
Base-Base interactions energy: -658.863
where: short stacking energy: -392.294
Base-Backbone interact. energy: -0.665
local terms energy: -477.463016
where:
bonds (distance) C4'-P energy: -95.747
bonds (distance) P-C4' energy: -101.927
flat angles C4'-P-C4' energy: -102.363
flat angles P-C4'-P energy: -55.616
tors. eta vs tors. theta energy: -121.811
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: 6
=====================================
Write number: 246
Temperature: 1.000000
Total energy: -951.967971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -951.967971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -951.967971 (E_RNA)
where:
Base-Base interactions energy: -520.658
where: short stacking energy: -314.122
Base-Backbone interact. energy: -0.903
local terms energy: -430.407222
where:
bonds (distance) C4'-P energy: -80.574
bonds (distance) P-C4' energy: -93.610
flat angles C4'-P-C4' energy: -104.938
flat angles P-C4'-P energy: -67.288
tors. eta vs tors. theta energy: -83.997
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 246
Temperature: 1.050000
Total energy: -792.860836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -792.860836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -792.860836 (E_RNA)
where:
Base-Base interactions energy: -410.264
where: short stacking energy: -282.684
Base-Backbone interact. energy: -2.489
local terms energy: -380.107089
where:
bonds (distance) C4'-P energy: -84.021
bonds (distance) P-C4' energy: -90.553
flat angles C4'-P-C4' energy: -90.612
flat angles P-C4'-P energy: -53.446
tors. eta vs tors. theta energy: -61.476
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: 8
=====================================
Write number: 246
Temperature: 1.100000
Total energy: -630.641722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -630.641722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -630.641722 (E_RNA)
where:
Base-Base interactions energy: -303.786
where: short stacking energy: -189.753
Base-Backbone interact. energy: -2.271
local terms energy: -324.584375
where:
bonds (distance) C4'-P energy: -81.027
bonds (distance) P-C4' energy: -84.686
flat angles C4'-P-C4' energy: -77.830
flat angles P-C4'-P energy: -45.788
tors. eta vs tors. theta energy: -35.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 246
Temperature: 1.150000
Total energy: -518.057168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.057168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.057168 (E_RNA)
where:
Base-Base interactions energy: -208.239
where: short stacking energy: -148.129
Base-Backbone interact. energy: 3.933
local terms energy: -313.751369
where:
bonds (distance) C4'-P energy: -79.924
bonds (distance) P-C4' energy: -88.182
flat angles C4'-P-C4' energy: -83.286
flat angles P-C4'-P energy: -40.690
tors. eta vs tors. theta energy: -21.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 246
Temperature: 1.200000
Total energy: -452.881658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -452.881658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -452.881658 (E_RNA)
where:
Base-Base interactions energy: -160.295
where: short stacking energy: -156.191
Base-Backbone interact. energy: 0.575
local terms energy: -293.161984
where:
bonds (distance) C4'-P energy: -72.765
bonds (distance) P-C4' energy: -72.610
flat angles C4'-P-C4' energy: -83.896
flat angles P-C4'-P energy: -54.727
tors. eta vs tors. theta energy: -9.163
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 246
Temperature: 1.250000
Total energy: -433.266398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -433.266398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -433.266398 (E_RNA)
where:
Base-Base interactions energy: -160.500
where: short stacking energy: -143.312
Base-Backbone interact. energy: 4.813
local terms energy: -277.578598
where:
bonds (distance) C4'-P energy: -81.555
bonds (distance) P-C4' energy: -74.071
flat angles C4'-P-C4' energy: -74.563
flat angles P-C4'-P energy: -37.934
tors. eta vs tors. theta energy: -9.456
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 246
Temperature: 1.300000
Total energy: -361.172827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.172827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.172827 (E_RNA)
where:
Base-Base interactions energy: -109.841
where: short stacking energy: -101.058
Base-Backbone interact. energy: 0.775
local terms energy: -252.106617
where:
bonds (distance) C4'-P energy: -77.543
bonds (distance) P-C4' energy: -80.492
flat angles C4'-P-C4' energy: -58.794
flat angles P-C4'-P energy: -50.289
tors. eta vs tors. theta energy: 15.011
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 246
Temperature: 1.350000
Total energy: -359.410080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.410080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.410080 (E_RNA)
where:
Base-Base interactions energy: -112.506
where: short stacking energy: -98.389
Base-Backbone interact. energy: 2.519
local terms energy: -249.423896
where:
bonds (distance) C4'-P energy: -69.856
bonds (distance) P-C4' energy: -77.220
flat angles C4'-P-C4' energy: -70.928
flat angles P-C4'-P energy: -49.969
tors. eta vs tors. theta energy: 18.548
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: 1
=====================================
Write number: 247
Temperature: 0.900000
Total energy: -1249.414425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1249.414425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1249.414425 (E_RNA)
where:
Base-Base interactions energy: -765.879
where: short stacking energy: -425.734
Base-Backbone interact. energy: -2.884
local terms energy: -480.651712
where:
bonds (distance) C4'-P energy: -87.052
bonds (distance) P-C4' energy: -93.911
flat angles C4'-P-C4' energy: -106.561
flat angles P-C4'-P energy: -67.973
tors. eta vs tors. theta energy: -125.154
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 247
Temperature: 0.950000
Total energy: -1156.473523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1156.473523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1156.473523 (E_RNA)
where:
Base-Base interactions energy: -666.039
where: short stacking energy: -412.527
Base-Backbone interact. energy: 0.096
local terms energy: -490.529955
where:
bonds (distance) C4'-P energy: -91.772
bonds (distance) P-C4' energy: -102.216
flat angles C4'-P-C4' energy: -110.480
flat angles P-C4'-P energy: -69.012
tors. eta vs tors. theta energy: -117.050
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 247
Temperature: 1.000000
Total energy: -1023.771392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1023.771392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1023.771392 (E_RNA)
where:
Base-Base interactions energy: -583.387
where: short stacking energy: -350.191
Base-Backbone interact. energy: -3.179
local terms energy: -437.205120
where:
bonds (distance) C4'-P energy: -90.875
bonds (distance) P-C4' energy: -81.029
flat angles C4'-P-C4' energy: -101.800
flat angles P-C4'-P energy: -66.421
tors. eta vs tors. theta energy: -97.079
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: 2
=====================================
Write number: 247
Temperature: 1.050000
Total energy: -749.831372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -749.831372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -749.831372 (E_RNA)
where:
Base-Base interactions energy: -388.688
where: short stacking energy: -252.798
Base-Backbone interact. energy: -0.621
local terms energy: -360.522274
where:
bonds (distance) C4'-P energy: -92.722
bonds (distance) P-C4' energy: -92.495
flat angles C4'-P-C4' energy: -69.777
flat angles P-C4'-P energy: -60.021
tors. eta vs tors. theta energy: -45.506
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 247
Temperature: 1.100000
Total energy: -711.970457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -711.970457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -711.970457 (E_RNA)
where:
Base-Base interactions energy: -354.978
where: short stacking energy: -235.431
Base-Backbone interact. energy: -0.861
local terms energy: -356.132049
where:
bonds (distance) C4'-P energy: -76.299
bonds (distance) P-C4' energy: -89.113
flat angles C4'-P-C4' energy: -91.724
flat angles P-C4'-P energy: -52.966
tors. eta vs tors. theta energy: -46.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 247
Temperature: 1.150000
Total energy: -545.872135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.872135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.872135 (E_RNA)
where:
Base-Base interactions energy: -229.633
where: short stacking energy: -188.467
Base-Backbone interact. energy: 1.228
local terms energy: -317.466823
where:
bonds (distance) C4'-P energy: -79.542
bonds (distance) P-C4' energy: -81.405
flat angles C4'-P-C4' energy: -70.887
flat angles P-C4'-P energy: -59.575
tors. eta vs tors. theta energy: -26.058
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: 7, replica: 3
=====================================
Write number: 247
Temperature: 1.200000
Total energy: -461.602779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -461.602779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -461.602779 (E_RNA)
where:
Base-Base interactions energy: -176.364
where: short stacking energy: -153.854
Base-Backbone interact. energy: 0.875
local terms energy: -286.114067
where:
bonds (distance) C4'-P energy: -73.235
bonds (distance) P-C4' energy: -81.042
flat angles C4'-P-C4' energy: -66.206
flat angles P-C4'-P energy: -48.569
tors. eta vs tors. theta energy: -17.063
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 247
Temperature: 1.250000
Total energy: -404.860547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -404.860547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -404.860547 (E_RNA)
where:
Base-Base interactions energy: -137.281
where: short stacking energy: -124.396
Base-Backbone interact. energy: -1.731
local terms energy: -265.847964
where:
bonds (distance) C4'-P energy: -75.464
bonds (distance) P-C4' energy: -83.729
flat angles C4'-P-C4' energy: -64.337
flat angles P-C4'-P energy: -42.444
tors. eta vs tors. theta energy: 0.126
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 247
Temperature: 1.300000
Total energy: -419.315385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.315385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.315385 (E_RNA)
where:
Base-Base interactions energy: -137.547
where: short stacking energy: -128.798
Base-Backbone interact. energy: 6.053
local terms energy: -287.821019
where:
bonds (distance) C4'-P energy: -71.611
bonds (distance) P-C4' energy: -87.412
flat angles C4'-P-C4' energy: -77.253
flat angles P-C4'-P energy: -50.402
tors. eta vs tors. theta energy: -1.143
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: 10, replica: 5
=====================================
Write number: 247
Temperature: 1.350000
Total energy: -367.057091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.057091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.057091 (E_RNA)
where:
Base-Base interactions energy: -104.407
where: short stacking energy: -101.996
Base-Backbone interact. energy: 3.235
local terms energy: -265.885769
where:
bonds (distance) C4'-P energy: -73.185
bonds (distance) P-C4' energy: -82.598
flat angles C4'-P-C4' energy: -77.613
flat angles P-C4'-P energy: -37.021
tors. eta vs tors. theta energy: 4.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 248
Temperature: 0.900000
Total energy: -1237.412560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1237.412560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1237.412560 (E_RNA)
where:
Base-Base interactions energy: -750.634
where: short stacking energy: -422.031
Base-Backbone interact. energy: -1.620
local terms energy: -485.158892
where:
bonds (distance) C4'-P energy: -102.241
bonds (distance) P-C4' energy: -98.542
flat angles C4'-P-C4' energy: -103.522
flat angles P-C4'-P energy: -65.370
tors. eta vs tors. theta energy: -115.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 248
Temperature: 0.950000
Total energy: -1163.412473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1163.412473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1163.412473 (E_RNA)
where:
Base-Base interactions energy: -674.351
where: short stacking energy: -411.539
Base-Backbone interact. energy: -0.664
local terms energy: -488.396819
where:
bonds (distance) C4'-P energy: -96.632
bonds (distance) P-C4' energy: -98.410
flat angles C4'-P-C4' energy: -99.831
flat angles P-C4'-P energy: -71.521
tors. eta vs tors. theta energy: -122.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 248
Temperature: 1.000000
Total energy: -996.215882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -996.215882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -996.215882 (E_RNA)
where:
Base-Base interactions energy: -567.457
where: short stacking energy: -343.415
Base-Backbone interact. energy: -0.972
local terms energy: -427.786952
where:
bonds (distance) C4'-P energy: -94.018
bonds (distance) P-C4' energy: -93.870
flat angles C4'-P-C4' energy: -86.978
flat angles P-C4'-P energy: -61.208
tors. eta vs tors. theta energy: -91.713
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 248
Temperature: 1.050000
Total energy: -708.183768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -708.183768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -708.183768 (E_RNA)
where:
Base-Base interactions energy: -344.898
where: short stacking energy: -240.736
Base-Backbone interact. energy: -1.428
local terms energy: -361.857346
where:
bonds (distance) C4'-P energy: -97.874
bonds (distance) P-C4' energy: -87.300
flat angles C4'-P-C4' energy: -83.989
flat angles P-C4'-P energy: -56.005
tors. eta vs tors. theta energy: -36.690
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: 8
=====================================
Write number: 248
Temperature: 1.100000
Total energy: -681.237420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -681.237420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -681.237420 (E_RNA)
where:
Base-Base interactions energy: -348.817
where: short stacking energy: -208.360
Base-Backbone interact. energy: -0.439
local terms energy: -331.981029
where:
bonds (distance) C4'-P energy: -81.455
bonds (distance) P-C4' energy: -83.371
flat angles C4'-P-C4' energy: -88.280
flat angles P-C4'-P energy: -50.264
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: 7
=====================================
Write number: 248
Temperature: 1.150000
Total energy: -540.937417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.937417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.937417 (E_RNA)
where:
Base-Base interactions energy: -237.400
where: short stacking energy: -175.114
Base-Backbone interact. energy: 0.115
local terms energy: -303.652343
where:
bonds (distance) C4'-P energy: -72.860
bonds (distance) P-C4' energy: -83.898
flat angles C4'-P-C4' energy: -79.170
flat angles P-C4'-P energy: -51.686
tors. eta vs tors. theta energy: -16.039
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 248
Temperature: 1.200000
Total energy: -444.454146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -444.454146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -444.454146 (E_RNA)
where:
Base-Base interactions energy: -150.947
where: short stacking energy: -128.819
Base-Backbone interact. energy: -2.694
local terms energy: -290.813299
where:
bonds (distance) C4'-P energy: -83.565
bonds (distance) P-C4' energy: -78.963
flat angles C4'-P-C4' energy: -77.382
flat angles P-C4'-P energy: -48.416
tors. eta vs tors. theta energy: -2.487
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: 8, replica: 3
=====================================
Write number: 248
Temperature: 1.250000
Total energy: -405.038353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -405.038353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -405.038353 (E_RNA)
where:
Base-Base interactions energy: -137.755
where: short stacking energy: -126.922
Base-Backbone interact. energy: 2.457
local terms energy: -269.739444
where:
bonds (distance) C4'-P energy: -75.859
bonds (distance) P-C4' energy: -77.915
flat angles C4'-P-C4' energy: -84.786
flat angles P-C4'-P energy: -42.043
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: 9, replica: 9
=====================================
Write number: 248
Temperature: 1.300000
Total energy: -390.861239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -390.861239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -390.861239 (E_RNA)
where:
Base-Base interactions energy: -139.630
where: short stacking energy: -122.058
Base-Backbone interact. energy: 1.921
local terms energy: -253.152403
where:
bonds (distance) C4'-P energy: -69.861
bonds (distance) P-C4' energy: -75.522
flat angles C4'-P-C4' energy: -77.477
flat angles P-C4'-P energy: -32.981
tors. eta vs tors. theta energy: 2.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 248
Temperature: 1.350000
Total energy: -377.967859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -377.967859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -377.967859 (E_RNA)
where:
Base-Base interactions energy: -120.148
where: short stacking energy: -105.450
Base-Backbone interact. energy: 2.441
local terms energy: -260.260131
where:
bonds (distance) C4'-P energy: -89.824
bonds (distance) P-C4' energy: -84.830
flat angles C4'-P-C4' energy: -64.723
flat angles P-C4'-P energy: -26.136
tors. eta vs tors. theta energy: 5.253
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: 249
Temperature: 0.900000
Total energy: -1254.218020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1254.218020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1254.218020 (E_RNA)
where:
Base-Base interactions energy: -772.418
where: short stacking energy: -446.086
Base-Backbone interact. energy: -2.913
local terms energy: -478.887029
where:
bonds (distance) C4'-P energy: -89.989
bonds (distance) P-C4' energy: -94.521
flat angles C4'-P-C4' energy: -106.385
flat angles P-C4'-P energy: -56.409
tors. eta vs tors. theta energy: -131.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 249
Temperature: 0.950000
Total energy: -1168.958172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1168.958172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1168.958172 (E_RNA)
where:
Base-Base interactions energy: -694.456
where: short stacking energy: -408.788
Base-Backbone interact. energy: -1.457
local terms energy: -473.045170
where:
bonds (distance) C4'-P energy: -94.199
bonds (distance) P-C4' energy: -83.930
flat angles C4'-P-C4' energy: -103.354
flat angles P-C4'-P energy: -67.223
tors. eta vs tors. theta energy: -124.338
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: 6
=====================================
Write number: 249
Temperature: 1.000000
Total energy: -992.759355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -992.759355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -992.759355 (E_RNA)
where:
Base-Base interactions energy: -556.400
where: short stacking energy: -329.913
Base-Backbone interact. energy: -2.783
local terms energy: -433.575937
where:
bonds (distance) C4'-P energy: -93.576
bonds (distance) P-C4' energy: -92.473
flat angles C4'-P-C4' energy: -98.969
flat angles P-C4'-P energy: -58.495
tors. eta vs tors. theta energy: -90.063
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 249
Temperature: 1.050000
Total energy: -728.120416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -728.120416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -728.120416 (E_RNA)
where:
Base-Base interactions energy: -356.266
where: short stacking energy: -234.735
Base-Backbone interact. energy: 1.461
local terms energy: -373.315373
where:
bonds (distance) C4'-P energy: -93.049
bonds (distance) P-C4' energy: -77.218
flat angles C4'-P-C4' energy: -81.620
flat angles P-C4'-P energy: -66.841
tors. eta vs tors. theta energy: -54.587
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: 8
=====================================
Write number: 249
Temperature: 1.100000
Total energy: -625.930203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -625.930203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -625.930203 (E_RNA)
where:
Base-Base interactions energy: -302.437
where: short stacking energy: -231.814
Base-Backbone interact. energy: 0.635
local terms energy: -324.128242
where:
bonds (distance) C4'-P energy: -85.341
bonds (distance) P-C4' energy: -77.818
flat angles C4'-P-C4' energy: -74.251
flat angles P-C4'-P energy: -46.048
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: 6, replica: 7
=====================================
Write number: 249
Temperature: 1.150000
Total energy: -607.720410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -607.720410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -607.720410 (E_RNA)
where:
Base-Base interactions energy: -281.908
where: short stacking energy: -190.240
Base-Backbone interact. energy: -1.078
local terms energy: -324.734507
where:
bonds (distance) C4'-P energy: -95.489
bonds (distance) P-C4' energy: -78.327
flat angles C4'-P-C4' energy: -73.795
flat angles P-C4'-P energy: -43.236
tors. eta vs tors. theta energy: -33.889
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 249
Temperature: 1.200000
Total energy: -425.447462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -425.447462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -425.447462 (E_RNA)
where:
Base-Base interactions energy: -159.748
where: short stacking energy: -139.377
Base-Backbone interact. energy: 0.938
local terms energy: -266.637181
where:
bonds (distance) C4'-P energy: -84.357
bonds (distance) P-C4' energy: -77.215
flat angles C4'-P-C4' energy: -65.070
flat angles P-C4'-P energy: -37.787
tors. eta vs tors. theta energy: -2.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 249
Temperature: 1.250000
Total energy: -407.929494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.929494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -407.929494 (E_RNA)
where:
Base-Base interactions energy: -148.505
where: short stacking energy: -115.061
Base-Backbone interact. energy: 0.528
local terms energy: -259.951882
where:
bonds (distance) C4'-P energy: -78.026
bonds (distance) P-C4' energy: -86.879
flat angles C4'-P-C4' energy: -71.223
flat angles P-C4'-P energy: -37.486
tors. eta vs tors. theta energy: 13.662
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 249
Temperature: 1.300000
Total energy: -381.294529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -381.294529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -381.294529 (E_RNA)
where:
Base-Base interactions energy: -120.348
where: short stacking energy: -109.602
Base-Backbone interact. energy: -1.431
local terms energy: -259.515823
where:
bonds (distance) C4'-P energy: -72.839
bonds (distance) P-C4' energy: -65.847
flat angles C4'-P-C4' energy: -74.993
flat angles P-C4'-P energy: -54.705
tors. eta vs tors. theta energy: 8.868
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 249
Temperature: 1.350000
Total energy: -354.683963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.683963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.683963 (E_RNA)
where:
Base-Base interactions energy: -115.507
where: short stacking energy: -104.245
Base-Backbone interact. energy: -2.040
local terms energy: -237.137462
where:
bonds (distance) C4'-P energy: -58.400
bonds (distance) P-C4' energy: -93.203
flat angles C4'-P-C4' energy: -61.656
flat angles P-C4'-P energy: -34.442
tors. eta vs tors. theta energy: 10.564
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 250
Temperature: 0.900000
Total energy: -1246.551223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1246.551223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1246.551223 (E_RNA)
where:
Base-Base interactions energy: -748.063
where: short stacking energy: -430.503
Base-Backbone interact. energy: 0.586
local terms energy: -499.074391
where:
bonds (distance) C4'-P energy: -105.577
bonds (distance) P-C4' energy: -86.281
flat angles C4'-P-C4' energy: -102.157
flat angles P-C4'-P energy: -70.203
tors. eta vs tors. theta energy: -134.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 250
Temperature: 0.950000
Total energy: -1159.469021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1159.469021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1159.469021 (E_RNA)
where:
Base-Base interactions energy: -688.332
where: short stacking energy: -406.183
Base-Backbone interact. energy: 0.486
local terms energy: -471.623378
where:
bonds (distance) C4'-P energy: -81.811
bonds (distance) P-C4' energy: -97.155
flat angles C4'-P-C4' energy: -104.517
flat angles P-C4'-P energy: -60.893
tors. eta vs tors. theta energy: -127.248
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 250
Temperature: 1.000000
Total energy: -958.403793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -958.403793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -958.403793 (E_RNA)
where:
Base-Base interactions energy: -548.400
where: short stacking energy: -327.976
Base-Backbone interact. energy: -2.660
local terms energy: -407.343209
where:
bonds (distance) C4'-P energy: -86.984
bonds (distance) P-C4' energy: -90.931
flat angles C4'-P-C4' energy: -87.472
flat angles P-C4'-P energy: -63.169
tors. eta vs tors. theta energy: -78.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 250
Temperature: 1.050000
Total energy: -746.292732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -746.292732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -746.292732 (E_RNA)
where:
Base-Base interactions energy: -380.313
where: short stacking energy: -238.933
Base-Backbone interact. energy: -0.799
local terms energy: -365.180318
where:
bonds (distance) C4'-P energy: -94.055
bonds (distance) P-C4' energy: -86.068
flat angles C4'-P-C4' energy: -76.199
flat angles P-C4'-P energy: -69.102
tors. eta vs tors. theta energy: -39.756
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: 250
Temperature: 1.100000
Total energy: -640.541807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -640.541807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -640.541807 (E_RNA)
where:
Base-Base interactions energy: -296.001
where: short stacking energy: -210.457
Base-Backbone interact. energy: 0.066
local terms energy: -344.606457
where:
bonds (distance) C4'-P energy: -85.856
bonds (distance) P-C4' energy: -80.863
flat angles C4'-P-C4' energy: -84.535
flat angles P-C4'-P energy: -62.716
tors. eta vs tors. theta energy: -30.635
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: 6, replica: 8
=====================================
Write number: 250
Temperature: 1.150000
Total energy: -559.907858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -559.907858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -559.907858 (E_RNA)
where:
Base-Base interactions energy: -269.236
where: short stacking energy: -207.370
Base-Backbone interact. energy: -0.575
local terms energy: -290.097124
where:
bonds (distance) C4'-P energy: -62.810
bonds (distance) P-C4' energy: -77.659
flat angles C4'-P-C4' energy: -83.174
flat angles P-C4'-P energy: -52.118
tors. eta vs tors. theta energy: -14.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 250
Temperature: 1.200000
Total energy: -435.978966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -435.978966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -435.978966 (E_RNA)
where:
Base-Base interactions energy: -140.088
where: short stacking energy: -134.577
Base-Backbone interact. energy: 2.786
local terms energy: -298.676502
where:
bonds (distance) C4'-P energy: -75.196
bonds (distance) P-C4' energy: -85.784
flat angles C4'-P-C4' energy: -90.632
flat angles P-C4'-P energy: -41.585
tors. eta vs tors. theta energy: -5.480
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 250
Temperature: 1.250000
Total energy: -420.905285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.905285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -420.905285 (E_RNA)
where:
Base-Base interactions energy: -146.845
where: short stacking energy: -126.731
Base-Backbone interact. energy: 2.653
local terms energy: -276.713266
where:
bonds (distance) C4'-P energy: -78.910
bonds (distance) P-C4' energy: -90.065
flat angles C4'-P-C4' energy: -63.914
flat angles P-C4'-P energy: -45.577
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: 5
=====================================
Write number: 250
Temperature: 1.300000
Total energy: -375.394837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -375.394837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -375.394837 (E_RNA)
where:
Base-Base interactions energy: -121.967
where: short stacking energy: -87.451
Base-Backbone interact. energy: 0.109
local terms energy: -253.536477
where:
bonds (distance) C4'-P energy: -90.171
bonds (distance) P-C4' energy: -79.939
flat angles C4'-P-C4' energy: -55.597
flat angles P-C4'-P energy: -34.650
tors. eta vs tors. theta energy: 6.820
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 250
Temperature: 1.350000
Total energy: -361.429419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.429419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.429419 (E_RNA)
where:
Base-Base interactions energy: -112.217
where: short stacking energy: -85.176
Base-Backbone interact. energy: 0.271
local terms energy: -249.482547
where:
bonds (distance) C4'-P energy: -78.975
bonds (distance) P-C4' energy: -75.559
flat angles C4'-P-C4' energy: -71.159
flat angles P-C4'-P energy: -39.368
tors. eta vs tors. theta energy: 15.578
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 251
Temperature: 0.900000
Total energy: -1240.757277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1240.757277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1240.757277 (E_RNA)
where:
Base-Base interactions energy: -760.717
where: short stacking energy: -442.766
Base-Backbone interact. energy: -3.791
local terms energy: -476.249116
where:
bonds (distance) C4'-P energy: -86.366
bonds (distance) P-C4' energy: -94.739
flat angles C4'-P-C4' energy: -105.310
flat angles P-C4'-P energy: -64.826
tors. eta vs tors. theta energy: -125.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 251
Temperature: 0.950000
Total energy: -1172.094540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1172.094540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1172.094540 (E_RNA)
where:
Base-Base interactions energy: -701.832
where: short stacking energy: -408.453
Base-Backbone interact. energy: -1.779
local terms energy: -468.483925
where:
bonds (distance) C4'-P energy: -82.783
bonds (distance) P-C4' energy: -86.064
flat angles C4'-P-C4' energy: -104.462
flat angles P-C4'-P energy: -69.231
tors. eta vs tors. theta energy: -125.944
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 251
Temperature: 1.000000
Total energy: -942.272284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -942.272284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -942.272284 (E_RNA)
where:
Base-Base interactions energy: -523.228
where: short stacking energy: -326.494
Base-Backbone interact. energy: -1.570
local terms energy: -417.474042
where:
bonds (distance) C4'-P energy: -92.745
bonds (distance) P-C4' energy: -91.627
flat angles C4'-P-C4' energy: -91.144
flat angles P-C4'-P energy: -63.110
tors. eta vs tors. theta energy: -78.848
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: 2
=====================================
Write number: 251
Temperature: 1.050000
Total energy: -752.132586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -752.132586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -752.132586 (E_RNA)
where:
Base-Base interactions energy: -371.177
where: short stacking energy: -265.976
Base-Backbone interact. energy: -1.860
local terms energy: -379.095599
where:
bonds (distance) C4'-P energy: -82.043
bonds (distance) P-C4' energy: -84.969
flat angles C4'-P-C4' energy: -90.750
flat angles P-C4'-P energy: -63.173
tors. eta vs tors. theta energy: -58.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 251
Temperature: 1.100000
Total energy: -622.244762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -622.244762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -622.244762 (E_RNA)
where:
Base-Base interactions energy: -286.154
where: short stacking energy: -222.274
Base-Backbone interact. energy: -1.929
local terms energy: -334.161395
where:
bonds (distance) C4'-P energy: -80.619
bonds (distance) P-C4' energy: -85.586
flat angles C4'-P-C4' energy: -80.641
flat angles P-C4'-P energy: -47.387
tors. eta vs tors. theta energy: -39.927
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 251
Temperature: 1.150000
Total energy: -528.811211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.811211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.811211 (E_RNA)
where:
Base-Base interactions energy: -235.677
where: short stacking energy: -196.515
Base-Backbone interact. energy: 1.136
local terms energy: -294.270121
where:
bonds (distance) C4'-P energy: -74.157
bonds (distance) P-C4' energy: -76.751
flat angles C4'-P-C4' energy: -74.495
flat angles P-C4'-P energy: -44.704
tors. eta vs tors. theta energy: -24.163
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 251
Temperature: 1.200000
Total energy: -466.842216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -466.842216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -466.842216 (E_RNA)
where:
Base-Base interactions energy: -177.893
where: short stacking energy: -156.015
Base-Backbone interact. energy: 3.321
local terms energy: -292.269609
where:
bonds (distance) C4'-P energy: -81.248
bonds (distance) P-C4' energy: -88.629
flat angles C4'-P-C4' energy: -86.905
flat angles P-C4'-P energy: -24.091
tors. eta vs tors. theta energy: -11.397
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 251
Temperature: 1.250000
Total energy: -406.840265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.840265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -406.840265 (E_RNA)
where:
Base-Base interactions energy: -130.131
where: short stacking energy: -112.438
Base-Backbone interact. energy: -0.522
local terms energy: -276.186907
where:
bonds (distance) C4'-P energy: -82.498
bonds (distance) P-C4' energy: -87.124
flat angles C4'-P-C4' energy: -58.784
flat angles P-C4'-P energy: -47.761
tors. eta vs tors. theta energy: -0.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 251
Temperature: 1.300000
Total energy: -384.946513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -384.946513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -384.946513 (E_RNA)
where:
Base-Base interactions energy: -115.384
where: short stacking energy: -109.340
Base-Backbone interact. energy: -1.706
local terms energy: -267.857087
where:
bonds (distance) C4'-P energy: -74.453
bonds (distance) P-C4' energy: -82.466
flat angles C4'-P-C4' energy: -69.570
flat angles P-C4'-P energy: -45.591
tors. eta vs tors. theta energy: 4.223
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 251
Temperature: 1.350000
Total energy: -366.522833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.522833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.522833 (E_RNA)
where:
Base-Base interactions energy: -112.956
where: short stacking energy: -94.546
Base-Backbone interact. energy: 6.180
local terms energy: -259.746698
where:
bonds (distance) C4'-P energy: -74.433
bonds (distance) P-C4' energy: -93.897
flat angles C4'-P-C4' energy: -68.048
flat angles P-C4'-P energy: -34.389
tors. eta vs tors. theta energy: 11.020
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: 252
Temperature: 0.900000
Total energy: -1256.972493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1256.972493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1256.972493 (E_RNA)
where:
Base-Base interactions energy: -749.467
where: short stacking energy: -430.574
Base-Backbone interact. energy: -2.546
local terms energy: -504.960419
where:
bonds (distance) C4'-P energy: -92.559
bonds (distance) P-C4' energy: -96.133
flat angles C4'-P-C4' energy: -115.991
flat angles P-C4'-P energy: -67.601
tors. eta vs tors. theta energy: -132.676
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 252
Temperature: 0.950000
Total energy: -1149.660876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1149.660876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1149.660876 (E_RNA)
where:
Base-Base interactions energy: -700.253
where: short stacking energy: -404.266
Base-Backbone interact. energy: -0.978
local terms energy: -448.429847
where:
bonds (distance) C4'-P energy: -83.396
bonds (distance) P-C4' energy: -79.028
flat angles C4'-P-C4' energy: -88.720
flat angles P-C4'-P energy: -72.625
tors. eta vs tors. theta energy: -124.661
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 252
Temperature: 1.000000
Total energy: -959.199481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -959.199481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -959.199481 (E_RNA)
where:
Base-Base interactions energy: -542.870
where: short stacking energy: -325.405
Base-Backbone interact. energy: 0.357
local terms energy: -416.687104
where:
bonds (distance) C4'-P energy: -80.518
bonds (distance) P-C4' energy: -92.201
flat angles C4'-P-C4' energy: -98.808
flat angles P-C4'-P energy: -55.456
tors. eta vs tors. theta energy: -89.704
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 252
Temperature: 1.050000
Total energy: -709.851903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -709.851903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -709.851903 (E_RNA)
where:
Base-Base interactions energy: -348.180
where: short stacking energy: -245.730
Base-Backbone interact. energy: 0.152
local terms energy: -361.823896
where:
bonds (distance) C4'-P energy: -84.647
bonds (distance) P-C4' energy: -88.828
flat angles C4'-P-C4' energy: -73.754
flat angles P-C4'-P energy: -57.600
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: 5, replica: 7
=====================================
Write number: 252
Temperature: 1.100000
Total energy: -581.667005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -581.667005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -581.667005 (E_RNA)
where:
Base-Base interactions energy: -255.518
where: short stacking energy: -165.861
Base-Backbone interact. energy: -2.011
local terms energy: -324.137678
where:
bonds (distance) C4'-P energy: -84.357
bonds (distance) P-C4' energy: -93.749
flat angles C4'-P-C4' energy: -82.906
flat angles P-C4'-P energy: -49.502
tors. eta vs tors. theta energy: -13.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 252
Temperature: 1.150000
Total energy: -556.246762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.246762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -556.246762 (E_RNA)
where:
Base-Base interactions energy: -238.500
where: short stacking energy: -190.314
Base-Backbone interact. energy: -0.227
local terms energy: -317.519889
where:
bonds (distance) C4'-P energy: -82.881
bonds (distance) P-C4' energy: -83.357
flat angles C4'-P-C4' energy: -70.794
flat angles P-C4'-P energy: -62.062
tors. eta vs tors. theta energy: -18.427
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: 3
=====================================
Write number: 252
Temperature: 1.200000
Total energy: -446.922938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -446.922938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -446.922938 (E_RNA)
where:
Base-Base interactions energy: -134.173
where: short stacking energy: -133.321
Base-Backbone interact. energy: -3.682
local terms energy: -309.067535
where:
bonds (distance) C4'-P energy: -89.357
bonds (distance) P-C4' energy: -92.867
flat angles C4'-P-C4' energy: -77.487
flat angles P-C4'-P energy: -49.866
tors. eta vs tors. theta energy: 0.510
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 252
Temperature: 1.250000
Total energy: -409.662722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -409.662722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -409.662722 (E_RNA)
where:
Base-Base interactions energy: -143.659
where: short stacking energy: -135.489
Base-Backbone interact. energy: -0.277
local terms energy: -265.726710
where:
bonds (distance) C4'-P energy: -87.245
bonds (distance) P-C4' energy: -81.396
flat angles C4'-P-C4' energy: -71.317
flat angles P-C4'-P energy: -38.956
tors. eta vs tors. theta energy: 13.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 252
Temperature: 1.300000
Total energy: -367.813947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.813947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.813947 (E_RNA)
where:
Base-Base interactions energy: -117.686
where: short stacking energy: -110.421
Base-Backbone interact. energy: 1.462
local terms energy: -251.590152
where:
bonds (distance) C4'-P energy: -70.058
bonds (distance) P-C4' energy: -79.348
flat angles C4'-P-C4' energy: -64.272
flat angles P-C4'-P energy: -49.031
tors. eta vs tors. theta energy: 11.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 252
Temperature: 1.350000
Total energy: -370.210213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.210213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.210213 (E_RNA)
where:
Base-Base interactions energy: -122.785
where: short stacking energy: -122.310
Base-Backbone interact. energy: 0.169
local terms energy: -247.593811
where:
bonds (distance) C4'-P energy: -67.162
bonds (distance) P-C4' energy: -94.046
flat angles C4'-P-C4' energy: -52.582
flat angles P-C4'-P energy: -33.314
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: 1, replica: 1
=====================================
Write number: 253
Temperature: 0.900000
Total energy: -1294.950419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1294.950419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1294.950419 (E_RNA)
where:
Base-Base interactions energy: -798.960
where: short stacking energy: -435.071
Base-Backbone interact. energy: -3.006
local terms energy: -492.983837
where:
bonds (distance) C4'-P energy: -97.911
bonds (distance) P-C4' energy: -97.492
flat angles C4'-P-C4' energy: -105.280
flat angles P-C4'-P energy: -63.653
tors. eta vs tors. theta energy: -128.648
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 253
Temperature: 0.950000
Total energy: -1127.657585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1127.657585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1127.657585 (E_RNA)
where:
Base-Base interactions energy: -660.193
where: short stacking energy: -376.281
Base-Backbone interact. energy: -0.650
local terms energy: -466.814269
where:
bonds (distance) C4'-P energy: -83.401
bonds (distance) P-C4' energy: -94.037
flat angles C4'-P-C4' energy: -101.667
flat angles P-C4'-P energy: -68.440
tors. eta vs tors. theta energy: -119.270
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: 3, replica: 6
=====================================
Write number: 253
Temperature: 1.000000
Total energy: -928.229853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -928.229853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -928.229853 (E_RNA)
where:
Base-Base interactions energy: -504.992
where: short stacking energy: -331.516
Base-Backbone interact. energy: -1.430
local terms energy: -421.807469
where:
bonds (distance) C4'-P energy: -87.948
bonds (distance) P-C4' energy: -80.529
flat angles C4'-P-C4' energy: -95.146
flat angles P-C4'-P energy: -58.090
tors. eta vs tors. theta energy: -100.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 253
Temperature: 1.050000
Total energy: -691.347873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -691.347873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -691.347873 (E_RNA)
where:
Base-Base interactions energy: -341.538
where: short stacking energy: -236.346
Base-Backbone interact. energy: 1.370
local terms energy: -351.179211
where:
bonds (distance) C4'-P energy: -80.879
bonds (distance) P-C4' energy: -80.268
flat angles C4'-P-C4' energy: -81.900
flat angles P-C4'-P energy: -58.592
tors. eta vs tors. theta energy: -49.540
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: 7
=====================================
Write number: 253
Temperature: 1.100000
Total energy: -609.502664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -609.502664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -609.502664 (E_RNA)
where:
Base-Base interactions energy: -274.951
where: short stacking energy: -211.619
Base-Backbone interact. energy: -1.030
local terms energy: -333.521796
where:
bonds (distance) C4'-P energy: -80.332
bonds (distance) P-C4' energy: -88.212
flat angles C4'-P-C4' energy: -82.855
flat angles P-C4'-P energy: -50.145
tors. eta vs tors. theta energy: -31.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 253
Temperature: 1.150000
Total energy: -545.684034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.684034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.684034 (E_RNA)
where:
Base-Base interactions energy: -229.695
where: short stacking energy: -166.915
Base-Backbone interact. energy: -0.912
local terms energy: -315.077099
where:
bonds (distance) C4'-P energy: -78.884
bonds (distance) P-C4' energy: -91.814
flat angles C4'-P-C4' energy: -90.179
flat angles P-C4'-P energy: -31.001
tors. eta vs tors. theta energy: -23.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 253
Temperature: 1.200000
Total energy: -441.385554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -441.385554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -441.385554 (E_RNA)
where:
Base-Base interactions energy: -179.796
where: short stacking energy: -126.330
Base-Backbone interact. energy: 4.604
local terms energy: -266.193307
where:
bonds (distance) C4'-P energy: -74.783
bonds (distance) P-C4' energy: -81.492
flat angles C4'-P-C4' energy: -64.267
flat angles P-C4'-P energy: -52.130
tors. eta vs tors. theta energy: 6.477
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: 8, replica: 9
=====================================
Write number: 253
Temperature: 1.250000
Total energy: -420.182208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.182208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -420.182208 (E_RNA)
where:
Base-Base interactions energy: -134.976
where: short stacking energy: -116.744
Base-Backbone interact. energy: -0.047
local terms energy: -285.158822
where:
bonds (distance) C4'-P energy: -92.760
bonds (distance) P-C4' energy: -78.676
flat angles C4'-P-C4' energy: -67.073
flat angles P-C4'-P energy: -56.407
tors. eta vs tors. theta energy: 9.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 253
Temperature: 1.300000
Total energy: -369.179696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.179696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.179696 (E_RNA)
where:
Base-Base interactions energy: -129.518
where: short stacking energy: -109.867
Base-Backbone interact. energy: 4.139
local terms energy: -243.800268
where:
bonds (distance) C4'-P energy: -51.278
bonds (distance) P-C4' energy: -65.440
flat angles C4'-P-C4' energy: -80.904
flat angles P-C4'-P energy: -51.578
tors. eta vs tors. theta energy: 5.401
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 253
Temperature: 1.350000
Total energy: -351.040169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.040169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.040169 (E_RNA)
where:
Base-Base interactions energy: -105.615
where: short stacking energy: -91.279
Base-Backbone interact. energy: 2.787
local terms energy: -248.212562
where:
bonds (distance) C4'-P energy: -82.495
bonds (distance) P-C4' energy: -76.401
flat angles C4'-P-C4' energy: -60.760
flat angles P-C4'-P energy: -36.441
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: 1, replica: 1
=====================================
Write number: 254
Temperature: 0.900000
Total energy: -1285.637566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1285.637566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1285.637566 (E_RNA)
where:
Base-Base interactions energy: -788.495
where: short stacking energy: -435.910
Base-Backbone interact. energy: -3.456
local terms energy: -493.686288
where:
bonds (distance) C4'-P energy: -86.437
bonds (distance) P-C4' energy: -99.614
flat angles C4'-P-C4' energy: -101.540
flat angles P-C4'-P energy: -67.223
tors. eta vs tors. theta energy: -138.872
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: 4
=====================================
Write number: 254
Temperature: 0.950000
Total energy: -1152.875005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1152.875005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1152.875005 (E_RNA)
where:
Base-Base interactions energy: -680.594
where: short stacking energy: -395.236
Base-Backbone interact. energy: 0.987
local terms energy: -473.268031
where:
bonds (distance) C4'-P energy: -93.647
bonds (distance) P-C4' energy: -97.060
flat angles C4'-P-C4' energy: -105.383
flat angles P-C4'-P energy: -61.985
tors. eta vs tors. theta energy: -115.194
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 254
Temperature: 1.000000
Total energy: -948.759903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -948.759903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -948.759903 (E_RNA)
where:
Base-Base interactions energy: -525.071
where: short stacking energy: -319.467
Base-Backbone interact. energy: -1.093
local terms energy: -422.596293
where:
bonds (distance) C4'-P energy: -77.924
bonds (distance) P-C4' energy: -95.089
flat angles C4'-P-C4' energy: -102.551
flat angles P-C4'-P energy: -60.484
tors. eta vs tors. theta energy: -86.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 254
Temperature: 1.050000
Total energy: -724.196061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -724.196061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -724.196061 (E_RNA)
where:
Base-Base interactions energy: -351.553
where: short stacking energy: -255.647
Base-Backbone interact. energy: -0.458
local terms energy: -372.184315
where:
bonds (distance) C4'-P energy: -92.056
bonds (distance) P-C4' energy: -90.095
flat angles C4'-P-C4' energy: -72.989
flat angles P-C4'-P energy: -56.628
tors. eta vs tors. theta energy: -60.416
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 254
Temperature: 1.100000
Total energy: -572.197886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -572.197886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -572.197886 (E_RNA)
where:
Base-Base interactions energy: -248.437
where: short stacking energy: -186.512
Base-Backbone interact. energy: -2.278
local terms energy: -321.483535
where:
bonds (distance) C4'-P energy: -80.617
bonds (distance) P-C4' energy: -98.870
flat angles C4'-P-C4' energy: -82.537
flat angles P-C4'-P energy: -41.394
tors. eta vs tors. theta energy: -18.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 254
Temperature: 1.150000
Total energy: -585.603685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -585.603685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -585.603685 (E_RNA)
where:
Base-Base interactions energy: -260.932
where: short stacking energy: -182.524
Base-Backbone interact. energy: -1.534
local terms energy: -323.138013
where:
bonds (distance) C4'-P energy: -93.015
bonds (distance) P-C4' energy: -84.730
flat angles C4'-P-C4' energy: -81.638
flat angles P-C4'-P energy: -48.675
tors. eta vs tors. theta energy: -15.081
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 254
Temperature: 1.200000
Total energy: -441.280217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -441.280217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -441.280217 (E_RNA)
where:
Base-Base interactions energy: -151.612
where: short stacking energy: -142.416
Base-Backbone interact. energy: 1.859
local terms energy: -291.527412
where:
bonds (distance) C4'-P energy: -84.371
bonds (distance) P-C4' energy: -67.619
flat angles C4'-P-C4' energy: -73.169
flat angles P-C4'-P energy: -61.563
tors. eta vs tors. theta energy: -4.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 254
Temperature: 1.250000
Total energy: -425.577068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -425.577068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -425.577068 (E_RNA)
where:
Base-Base interactions energy: -138.758
where: short stacking energy: -135.281
Base-Backbone interact. energy: -0.581
local terms energy: -286.237495
where:
bonds (distance) C4'-P energy: -83.720
bonds (distance) P-C4' energy: -79.692
flat angles C4'-P-C4' energy: -67.263
flat angles P-C4'-P energy: -49.226
tors. eta vs tors. theta energy: -6.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 254
Temperature: 1.300000
Total energy: -381.513678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -381.513678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -381.513678 (E_RNA)
where:
Base-Base interactions energy: -155.869
where: short stacking energy: -129.073
Base-Backbone interact. energy: 0.625
local terms energy: -226.269285
where:
bonds (distance) C4'-P energy: -49.522
bonds (distance) P-C4' energy: -79.889
flat angles C4'-P-C4' energy: -67.014
flat angles P-C4'-P energy: -37.691
tors. eta vs tors. theta energy: 7.848
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: 10, replica: 10
=====================================
Write number: 254
Temperature: 1.350000
Total energy: -363.622294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.622294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.622294 (E_RNA)
where:
Base-Base interactions energy: -119.320
where: short stacking energy: -105.198
Base-Backbone interact. energy: 1.956
local terms energy: -246.258737
where:
bonds (distance) C4'-P energy: -65.801
bonds (distance) P-C4' energy: -87.410
flat angles C4'-P-C4' energy: -68.514
flat angles P-C4'-P energy: -27.935
tors. eta vs tors. theta energy: 3.401
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 255
Temperature: 0.900000
Total energy: -1234.513104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1234.513104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1234.513104 (E_RNA)
where:
Base-Base interactions energy: -759.575
where: short stacking energy: -440.726
Base-Backbone interact. energy: -4.822
local terms energy: -470.116286
where:
bonds (distance) C4'-P energy: -84.539
bonds (distance) P-C4' energy: -96.286
flat angles C4'-P-C4' energy: -102.403
flat angles P-C4'-P energy: -62.789
tors. eta vs tors. theta energy: -124.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 255
Temperature: 0.950000
Total energy: -1132.961296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1132.961296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1132.961296 (E_RNA)
where:
Base-Base interactions energy: -671.937
where: short stacking energy: -398.650
Base-Backbone interact. energy: -0.281
local terms energy: -460.743231
where:
bonds (distance) C4'-P energy: -83.349
bonds (distance) P-C4' energy: -91.789
flat angles C4'-P-C4' energy: -101.842
flat angles P-C4'-P energy: -68.718
tors. eta vs tors. theta energy: -115.045
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 255
Temperature: 1.000000
Total energy: -941.497054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -941.497054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -941.497054 (E_RNA)
where:
Base-Base interactions energy: -553.138
where: short stacking energy: -335.846
Base-Backbone interact. energy: 0.770
local terms energy: -389.129172
where:
bonds (distance) C4'-P energy: -77.688
bonds (distance) P-C4' energy: -78.787
flat angles C4'-P-C4' energy: -95.752
flat angles P-C4'-P energy: -53.297
tors. eta vs tors. theta energy: -83.606
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: 2
=====================================
Write number: 255
Temperature: 1.050000
Total energy: -758.889561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -758.889561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -758.889561 (E_RNA)
where:
Base-Base interactions energy: -384.617
where: short stacking energy: -257.375
Base-Backbone interact. energy: 2.819
local terms energy: -377.091801
where:
bonds (distance) C4'-P energy: -88.691
bonds (distance) P-C4' energy: -90.018
flat angles C4'-P-C4' energy: -88.697
flat angles P-C4'-P energy: -55.136
tors. eta vs tors. theta energy: -54.550
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 255
Temperature: 1.100000
Total energy: -645.277813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -645.277813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -645.277813 (E_RNA)
where:
Base-Base interactions energy: -290.269
where: short stacking energy: -234.458
Base-Backbone interact. energy: -0.134
local terms energy: -354.874585
where:
bonds (distance) C4'-P energy: -86.802
bonds (distance) P-C4' energy: -77.414
flat angles C4'-P-C4' energy: -94.970
flat angles P-C4'-P energy: -47.546
tors. eta vs tors. theta energy: -48.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 255
Temperature: 1.150000
Total energy: -571.350398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -571.350398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -571.350398 (E_RNA)
where:
Base-Base interactions energy: -277.388
where: short stacking energy: -203.314
Base-Backbone interact. energy: 0.555
local terms energy: -294.518101
where:
bonds (distance) C4'-P energy: -75.742
bonds (distance) P-C4' energy: -81.690
flat angles C4'-P-C4' energy: -64.709
flat angles P-C4'-P energy: -46.925
tors. eta vs tors. theta energy: -25.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 255
Temperature: 1.200000
Total energy: -449.181353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -449.181353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -449.181353 (E_RNA)
where:
Base-Base interactions energy: -143.290
where: short stacking energy: -140.024
Base-Backbone interact. energy: -0.783
local terms energy: -305.108180
where:
bonds (distance) C4'-P energy: -92.600
bonds (distance) P-C4' energy: -82.120
flat angles C4'-P-C4' energy: -77.065
flat angles P-C4'-P energy: -46.033
tors. eta vs tors. theta energy: -7.290
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 255
Temperature: 1.250000
Total energy: -429.670874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -429.670874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -429.670874 (E_RNA)
where:
Base-Base interactions energy: -181.826
where: short stacking energy: -145.511
Base-Backbone interact. energy: -0.840
local terms energy: -247.004672
where:
bonds (distance) C4'-P energy: -58.976
bonds (distance) P-C4' energy: -78.690
flat angles C4'-P-C4' energy: -81.197
flat angles P-C4'-P energy: -41.875
tors. eta vs tors. theta energy: 13.733
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 255
Temperature: 1.300000
Total energy: -391.738212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.738212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -391.738212 (E_RNA)
where:
Base-Base interactions energy: -124.402
where: short stacking energy: -101.181
Base-Backbone interact. energy: 2.365
local terms energy: -269.701277
where:
bonds (distance) C4'-P energy: -74.994
bonds (distance) P-C4' energy: -88.859
flat angles C4'-P-C4' energy: -75.898
flat angles P-C4'-P energy: -37.762
tors. eta vs tors. theta energy: 7.812
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: 255
Temperature: 1.350000
Total energy: -358.650302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.650302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.650302 (E_RNA)
where:
Base-Base interactions energy: -102.398
where: short stacking energy: -83.557
Base-Backbone interact. energy: 0.609
local terms energy: -256.860915
where:
bonds (distance) C4'-P energy: -76.728
bonds (distance) P-C4' energy: -85.836
flat angles C4'-P-C4' energy: -79.483
flat angles P-C4'-P energy: -28.454
tors. eta vs tors. theta energy: 13.640
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: 1
=====================================
Write number: 256
Temperature: 0.900000
Total energy: -1245.880876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1245.880876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1245.880876 (E_RNA)
where:
Base-Base interactions energy: -771.468
where: short stacking energy: -421.624
Base-Backbone interact. energy: -1.100
local terms energy: -473.313405
where:
bonds (distance) C4'-P energy: -84.738
bonds (distance) P-C4' energy: -98.274
flat angles C4'-P-C4' energy: -103.652
flat angles P-C4'-P energy: -67.050
tors. eta vs tors. theta energy: -119.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 256
Temperature: 0.950000
Total energy: -1125.862464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1125.862464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1125.862464 (E_RNA)
where:
Base-Base interactions energy: -681.961
where: short stacking energy: -403.531
Base-Backbone interact. energy: -1.134
local terms energy: -442.767693
where:
bonds (distance) C4'-P energy: -90.860
bonds (distance) P-C4' energy: -89.489
flat angles C4'-P-C4' energy: -98.042
flat angles P-C4'-P energy: -52.379
tors. eta vs tors. theta energy: -111.998
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 256
Temperature: 1.000000
Total energy: -970.148696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -970.148696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -970.148696 (E_RNA)
where:
Base-Base interactions energy: -573.130
where: short stacking energy: -343.953
Base-Backbone interact. energy: 3.040
local terms energy: -400.058264
where:
bonds (distance) C4'-P energy: -86.053
bonds (distance) P-C4' energy: -88.365
flat angles C4'-P-C4' energy: -89.619
flat angles P-C4'-P energy: -49.340
tors. eta vs tors. theta energy: -86.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 256
Temperature: 1.050000
Total energy: -808.963528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -808.963528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -808.963528 (E_RNA)
where:
Base-Base interactions energy: -395.829
where: short stacking energy: -279.389
Base-Backbone interact. energy: -1.651
local terms energy: -411.482708
where:
bonds (distance) C4'-P energy: -93.097
bonds (distance) P-C4' energy: -88.374
flat angles C4'-P-C4' energy: -85.328
flat angles P-C4'-P energy: -73.942
tors. eta vs tors. theta energy: -70.741
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 256
Temperature: 1.100000
Total energy: -617.193981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -617.193981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -617.193981 (E_RNA)
where:
Base-Base interactions energy: -245.631
where: short stacking energy: -193.258
Base-Backbone interact. energy: -0.001
local terms energy: -371.562553
where:
bonds (distance) C4'-P energy: -90.165
bonds (distance) P-C4' energy: -99.402
flat angles C4'-P-C4' energy: -80.490
flat angles P-C4'-P energy: -63.038
tors. eta vs tors. theta energy: -38.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 256
Temperature: 1.150000
Total energy: -589.947611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -589.947611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -589.947611 (E_RNA)
where:
Base-Base interactions energy: -251.745
where: short stacking energy: -185.124
Base-Backbone interact. energy: 2.049
local terms energy: -340.251427
where:
bonds (distance) C4'-P energy: -89.201
bonds (distance) P-C4' energy: -98.450
flat angles C4'-P-C4' energy: -70.224
flat angles P-C4'-P energy: -57.807
tors. eta vs tors. theta energy: -24.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 256
Temperature: 1.200000
Total energy: -481.958273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.958273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -481.958273 (E_RNA)
where:
Base-Base interactions energy: -191.155
where: short stacking energy: -153.257
Base-Backbone interact. energy: 3.033
local terms energy: -293.836215
where:
bonds (distance) C4'-P energy: -61.323
bonds (distance) P-C4' energy: -74.472
flat angles C4'-P-C4' energy: -85.273
flat angles P-C4'-P energy: -61.578
tors. eta vs tors. theta energy: -11.190
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: 256
Temperature: 1.250000
Total energy: -413.981233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.981233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -413.981233 (E_RNA)
where:
Base-Base interactions energy: -142.835
where: short stacking energy: -122.194
Base-Backbone interact. energy: 3.999
local terms energy: -275.145591
where:
bonds (distance) C4'-P energy: -77.542
bonds (distance) P-C4' energy: -79.244
flat angles C4'-P-C4' energy: -70.834
flat angles P-C4'-P energy: -45.279
tors. eta vs tors. theta energy: -2.246
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 256
Temperature: 1.300000
Total energy: -380.306529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -380.306529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -380.306529 (E_RNA)
where:
Base-Base interactions energy: -118.527
where: short stacking energy: -102.321
Base-Backbone interact. energy: -0.979
local terms energy: -260.800889
where:
bonds (distance) C4'-P energy: -71.305
bonds (distance) P-C4' energy: -77.831
flat angles C4'-P-C4' energy: -67.065
flat angles P-C4'-P energy: -51.536
tors. eta vs tors. theta energy: 6.937
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 256
Temperature: 1.350000
Total energy: -355.138713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.138713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.138713 (E_RNA)
where:
Base-Base interactions energy: -144.641
where: short stacking energy: -113.269
Base-Backbone interact. energy: -2.014
local terms energy: -208.484140
where:
bonds (distance) C4'-P energy: -62.438
bonds (distance) P-C4' energy: -88.313
flat angles C4'-P-C4' energy: -53.177
flat angles P-C4'-P energy: -20.952
tors. eta vs tors. theta energy: 16.395
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 257
Temperature: 0.900000
Total energy: -1254.948342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1254.948342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1254.948342 (E_RNA)
where:
Base-Base interactions energy: -756.316
where: short stacking energy: -410.438
Base-Backbone interact. energy: -2.553
local terms energy: -496.079298
where:
bonds (distance) C4'-P energy: -94.432
bonds (distance) P-C4' energy: -94.593
flat angles C4'-P-C4' energy: -112.724
flat angles P-C4'-P energy: -71.152
tors. eta vs tors. theta energy: -123.178
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 257
Temperature: 0.950000
Total energy: -1119.428016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1119.428016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1119.428016 (E_RNA)
where:
Base-Base interactions energy: -654.334
where: short stacking energy: -386.890
Base-Backbone interact. energy: 0.900
local terms energy: -465.993421
where:
bonds (distance) C4'-P energy: -93.739
bonds (distance) P-C4' energy: -88.463
flat angles C4'-P-C4' energy: -104.385
flat angles P-C4'-P energy: -59.831
tors. eta vs tors. theta energy: -119.575
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 257
Temperature: 1.000000
Total energy: -963.090985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -963.090985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -963.090985 (E_RNA)
where:
Base-Base interactions energy: -542.808
where: short stacking energy: -331.396
Base-Backbone interact. energy: -1.439
local terms energy: -418.843870
where:
bonds (distance) C4'-P energy: -78.924
bonds (distance) P-C4' energy: -94.586
flat angles C4'-P-C4' energy: -96.230
flat angles P-C4'-P energy: -62.857
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: 2
=====================================
Write number: 257
Temperature: 1.050000
Total energy: -793.291059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -793.291059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -793.291059 (E_RNA)
where:
Base-Base interactions energy: -414.321
where: short stacking energy: -278.971
Base-Backbone interact. energy: -1.153
local terms energy: -377.817488
where:
bonds (distance) C4'-P energy: -83.690
bonds (distance) P-C4' energy: -87.950
flat angles C4'-P-C4' energy: -82.862
flat angles P-C4'-P energy: -58.840
tors. eta vs tors. theta energy: -64.476
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: 8
=====================================
Write number: 257
Temperature: 1.100000
Total energy: -664.345458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -664.345458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -664.345458 (E_RNA)
where:
Base-Base interactions energy: -316.219
where: short stacking energy: -221.368
Base-Backbone interact. energy: -1.775
local terms energy: -346.351900
where:
bonds (distance) C4'-P energy: -77.840
bonds (distance) P-C4' energy: -79.976
flat angles C4'-P-C4' energy: -78.855
flat angles P-C4'-P energy: -52.457
tors. eta vs tors. theta energy: -57.224
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: 7
=====================================
Write number: 257
Temperature: 1.150000
Total energy: -600.252029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -600.252029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -600.252029 (E_RNA)
where:
Base-Base interactions energy: -277.031
where: short stacking energy: -182.748
Base-Backbone interact. energy: 0.755
local terms energy: -323.976142
where:
bonds (distance) C4'-P energy: -87.711
bonds (distance) P-C4' energy: -85.065
flat angles C4'-P-C4' energy: -85.092
flat angles P-C4'-P energy: -45.081
tors. eta vs tors. theta energy: -21.027
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: 5
=====================================
Write number: 257
Temperature: 1.200000
Total energy: -433.299133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -433.299133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -433.299133 (E_RNA)
where:
Base-Base interactions energy: -147.993
where: short stacking energy: -129.489
Base-Backbone interact. energy: -1.301
local terms energy: -284.005913
where:
bonds (distance) C4'-P energy: -80.032
bonds (distance) P-C4' energy: -83.051
flat angles C4'-P-C4' energy: -67.584
flat angles P-C4'-P energy: -48.928
tors. eta vs tors. theta energy: -4.412
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 257
Temperature: 1.250000
Total energy: -429.420604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -429.420604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -429.420604 (E_RNA)
where:
Base-Base interactions energy: -135.854
where: short stacking energy: -118.649
Base-Backbone interact. energy: -0.781
local terms energy: -292.785389
where:
bonds (distance) C4'-P energy: -80.727
bonds (distance) P-C4' energy: -80.034
flat angles C4'-P-C4' energy: -76.408
flat angles P-C4'-P energy: -48.842
tors. eta vs tors. theta energy: -6.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 257
Temperature: 1.300000
Total energy: -374.201475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -374.201475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -374.201475 (E_RNA)
where:
Base-Base interactions energy: -107.101
where: short stacking energy: -98.909
Base-Backbone interact. energy: 1.723
local terms energy: -268.823646
where:
bonds (distance) C4'-P energy: -81.581
bonds (distance) P-C4' energy: -81.915
flat angles C4'-P-C4' energy: -71.197
flat angles P-C4'-P energy: -52.103
tors. eta vs tors. theta energy: 17.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 257
Temperature: 1.350000
Total energy: -339.704100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.704100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.704100 (E_RNA)
where:
Base-Base interactions energy: -104.901
where: short stacking energy: -84.858
Base-Backbone interact. energy: -0.004
local terms energy: -234.799426
where:
bonds (distance) C4'-P energy: -60.882
bonds (distance) P-C4' energy: -76.846
flat angles C4'-P-C4' energy: -65.420
flat angles P-C4'-P energy: -44.150
tors. eta vs tors. theta energy: 12.499
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: 1, replica: 1
=====================================
Write number: 258
Temperature: 0.900000
Total energy: -1249.981456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1249.981456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1249.981456 (E_RNA)
where:
Base-Base interactions energy: -756.826
where: short stacking energy: -436.177
Base-Backbone interact. energy: -0.123
local terms energy: -493.032345
where:
bonds (distance) C4'-P energy: -97.867
bonds (distance) P-C4' energy: -91.026
flat angles C4'-P-C4' energy: -104.745
flat angles P-C4'-P energy: -71.932
tors. eta vs tors. theta energy: -127.463
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 258
Temperature: 0.950000
Total energy: -1146.119671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1146.119671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1146.119671 (E_RNA)
where:
Base-Base interactions energy: -670.787
where: short stacking energy: -388.120
Base-Backbone interact. energy: 0.397
local terms energy: -475.729251
where:
bonds (distance) C4'-P energy: -83.668
bonds (distance) P-C4' energy: -94.319
flat angles C4'-P-C4' energy: -102.519
flat angles P-C4'-P energy: -71.619
tors. eta vs tors. theta energy: -123.605
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: 6
=====================================
Write number: 258
Temperature: 1.000000
Total energy: -944.958953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -944.958953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -944.958953 (E_RNA)
where:
Base-Base interactions energy: -511.132
where: short stacking energy: -316.797
Base-Backbone interact. energy: -1.458
local terms energy: -432.368938
where:
bonds (distance) C4'-P energy: -94.575
bonds (distance) P-C4' energy: -91.043
flat angles C4'-P-C4' energy: -105.886
flat angles P-C4'-P energy: -56.262
tors. eta vs tors. theta energy: -84.603
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: 2
=====================================
Write number: 258
Temperature: 1.050000
Total energy: -751.062264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -751.062264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -751.062264 (E_RNA)
where:
Base-Base interactions energy: -383.167
where: short stacking energy: -246.389
Base-Backbone interact. energy: -1.378
local terms energy: -366.517110
where:
bonds (distance) C4'-P energy: -72.920
bonds (distance) P-C4' energy: -94.485
flat angles C4'-P-C4' energy: -85.834
flat angles P-C4'-P energy: -61.535
tors. eta vs tors. theta energy: -51.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 258
Temperature: 1.100000
Total energy: -656.514159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -656.514159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -656.514159 (E_RNA)
where:
Base-Base interactions energy: -325.977
where: short stacking energy: -212.688
Base-Backbone interact. energy: -2.319
local terms energy: -328.218254
where:
bonds (distance) C4'-P energy: -86.246
bonds (distance) P-C4' energy: -91.110
flat angles C4'-P-C4' energy: -67.569
flat angles P-C4'-P energy: -44.944
tors. eta vs tors. theta energy: -38.350
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 258
Temperature: 1.150000
Total energy: -566.277526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -566.277526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -566.277526 (E_RNA)
where:
Base-Base interactions energy: -247.628
where: short stacking energy: -178.486
Base-Backbone interact. energy: -1.579
local terms energy: -317.070369
where:
bonds (distance) C4'-P energy: -81.153
bonds (distance) P-C4' energy: -83.938
flat angles C4'-P-C4' energy: -68.485
flat angles P-C4'-P energy: -52.038
tors. eta vs tors. theta energy: -31.457
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: 9
=====================================
Write number: 258
Temperature: 1.200000
Total energy: -443.289073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -443.289073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -443.289073 (E_RNA)
where:
Base-Base interactions energy: -138.273
where: short stacking energy: -124.177
Base-Backbone interact. energy: 0.758
local terms energy: -305.773709
where:
bonds (distance) C4'-P energy: -78.617
bonds (distance) P-C4' energy: -90.041
flat angles C4'-P-C4' energy: -82.775
flat angles P-C4'-P energy: -51.289
tors. eta vs tors. theta energy: -3.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 258
Temperature: 1.250000
Total energy: -419.897641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.897641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.897641 (E_RNA)
where:
Base-Base interactions energy: -123.997
where: short stacking energy: -99.050
Base-Backbone interact. energy: -2.756
local terms energy: -293.144516
where:
bonds (distance) C4'-P energy: -78.118
bonds (distance) P-C4' energy: -97.287
flat angles C4'-P-C4' energy: -77.925
flat angles P-C4'-P energy: -40.463
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: 9, replica: 3
=====================================
Write number: 258
Temperature: 1.300000
Total energy: -382.018506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -382.018506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -382.018506 (E_RNA)
where:
Base-Base interactions energy: -141.589
where: short stacking energy: -125.983
Base-Backbone interact. energy: 2.730
local terms energy: -243.160052
where:
bonds (distance) C4'-P energy: -68.146
bonds (distance) P-C4' energy: -83.225
flat angles C4'-P-C4' energy: -53.336
flat angles P-C4'-P energy: -37.726
tors. eta vs tors. theta energy: -0.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 258
Temperature: 1.350000
Total energy: -353.960472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.960472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.960472 (E_RNA)
where:
Base-Base interactions energy: -120.744
where: short stacking energy: -115.547
Base-Backbone interact. energy: 3.260
local terms energy: -236.475821
where:
bonds (distance) C4'-P energy: -69.724
bonds (distance) P-C4' energy: -76.862
flat angles C4'-P-C4' energy: -67.463
flat angles P-C4'-P energy: -43.122
tors. eta vs tors. theta energy: 20.695
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: 1
=====================================
Write number: 259
Temperature: 0.900000
Total energy: -1259.200304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1259.200304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1259.200304 (E_RNA)
where:
Base-Base interactions energy: -763.635
where: short stacking energy: -421.047
Base-Backbone interact. energy: -0.631
local terms energy: -494.934882
where:
bonds (distance) C4'-P energy: -95.105
bonds (distance) P-C4' energy: -87.454
flat angles C4'-P-C4' energy: -109.711
flat angles P-C4'-P energy: -74.680
tors. eta vs tors. theta energy: -127.985
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 259
Temperature: 0.950000
Total energy: -1137.406640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1137.406640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1137.406640 (E_RNA)
where:
Base-Base interactions energy: -676.585
where: short stacking energy: -383.429
Base-Backbone interact. energy: -0.259
local terms energy: -460.561750
where:
bonds (distance) C4'-P energy: -86.306
bonds (distance) P-C4' energy: -88.575
flat angles C4'-P-C4' energy: -102.450
flat angles P-C4'-P energy: -74.935
tors. eta vs tors. theta energy: -108.294
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 259
Temperature: 1.000000
Total energy: -1007.011908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1007.011908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1007.011908 (E_RNA)
where:
Base-Base interactions energy: -577.902
where: short stacking energy: -342.833
Base-Backbone interact. energy: -1.634
local terms energy: -427.476012
where:
bonds (distance) C4'-P energy: -84.980
bonds (distance) P-C4' energy: -92.449
flat angles C4'-P-C4' energy: -91.218
flat angles P-C4'-P energy: -70.494
tors. eta vs tors. theta energy: -88.335
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 259
Temperature: 1.050000
Total energy: -723.949367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -723.949367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -723.949367 (E_RNA)
where:
Base-Base interactions energy: -380.901
where: short stacking energy: -261.100
Base-Backbone interact. energy: 0.934
local terms energy: -343.982172
where:
bonds (distance) C4'-P energy: -80.601
bonds (distance) P-C4' energy: -70.905
flat angles C4'-P-C4' energy: -86.375
flat angles P-C4'-P energy: -56.015
tors. eta vs tors. theta energy: -50.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 259
Temperature: 1.100000
Total energy: -648.066094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -648.066094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -648.066094 (E_RNA)
where:
Base-Base interactions energy: -284.515
where: short stacking energy: -213.470
Base-Backbone interact. energy: -1.067
local terms energy: -362.484792
where:
bonds (distance) C4'-P energy: -88.051
bonds (distance) P-C4' energy: -94.685
flat angles C4'-P-C4' energy: -80.705
flat angles P-C4'-P energy: -55.777
tors. eta vs tors. theta energy: -43.266
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 259
Temperature: 1.150000
Total energy: -545.297397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.297397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.297397 (E_RNA)
where:
Base-Base interactions energy: -241.256
where: short stacking energy: -180.783
Base-Backbone interact. energy: -2.300
local terms energy: -301.741615
where:
bonds (distance) C4'-P energy: -79.376
bonds (distance) P-C4' energy: -91.758
flat angles C4'-P-C4' energy: -76.550
flat angles P-C4'-P energy: -39.646
tors. eta vs tors. theta energy: -14.411
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 259
Temperature: 1.200000
Total energy: -458.884816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -458.884816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -458.884816 (E_RNA)
where:
Base-Base interactions energy: -159.392
where: short stacking energy: -133.964
Base-Backbone interact. energy: -1.622
local terms energy: -297.870919
where:
bonds (distance) C4'-P energy: -70.523
bonds (distance) P-C4' energy: -96.447
flat angles C4'-P-C4' energy: -80.113
flat angles P-C4'-P energy: -30.828
tors. eta vs tors. theta energy: -19.960
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 259
Temperature: 1.250000
Total energy: -441.145634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -441.145634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -441.145634 (E_RNA)
where:
Base-Base interactions energy: -150.069
where: short stacking energy: -136.558
Base-Backbone interact. energy: -1.259
local terms energy: -289.817337
where:
bonds (distance) C4'-P energy: -83.473
bonds (distance) P-C4' energy: -82.834
flat angles C4'-P-C4' energy: -75.507
flat angles P-C4'-P energy: -32.127
tors. eta vs tors. theta energy: -15.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 259
Temperature: 1.300000
Total energy: -376.829123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -376.829123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -376.829123 (E_RNA)
where:
Base-Base interactions energy: -143.604
where: short stacking energy: -108.717
Base-Backbone interact. energy: 1.043
local terms energy: -234.268449
where:
bonds (distance) C4'-P energy: -57.946
bonds (distance) P-C4' energy: -90.681
flat angles C4'-P-C4' energy: -65.007
flat angles P-C4'-P energy: -40.288
tors. eta vs tors. theta energy: 19.654
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 259
Temperature: 1.350000
Total energy: -335.696579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.696579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.696579 (E_RNA)
where:
Base-Base interactions energy: -123.710
where: short stacking energy: -108.450
Base-Backbone interact. energy: -3.226
local terms energy: -208.760567
where:
bonds (distance) C4'-P energy: -68.168
bonds (distance) P-C4' energy: -90.965
flat angles C4'-P-C4' energy: -43.898
flat angles P-C4'-P energy: -32.660
tors. eta vs tors. theta energy: 26.930
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 260
Temperature: 0.900000
Total energy: -1256.659741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1256.659741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1256.659741 (E_RNA)
where:
Base-Base interactions energy: -777.371
where: short stacking energy: -454.063
Base-Backbone interact. energy: -2.723
local terms energy: -476.565593
where:
bonds (distance) C4'-P energy: -90.943
bonds (distance) P-C4' energy: -90.838
flat angles C4'-P-C4' energy: -98.918
flat angles P-C4'-P energy: -65.892
tors. eta vs tors. theta energy: -129.975
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 260
Temperature: 0.950000
Total energy: -1113.655257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1113.655257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1113.655257 (E_RNA)
where:
Base-Base interactions energy: -649.321
where: short stacking energy: -391.664
Base-Backbone interact. energy: 1.058
local terms energy: -465.391621
where:
bonds (distance) C4'-P energy: -90.360
bonds (distance) P-C4' energy: -94.899
flat angles C4'-P-C4' energy: -102.502
flat angles P-C4'-P energy: -61.369
tors. eta vs tors. theta energy: -116.261
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 260
Temperature: 1.000000
Total energy: -936.649950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -936.649950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -936.649950 (E_RNA)
where:
Base-Base interactions energy: -546.369
where: short stacking energy: -291.723
Base-Backbone interact. energy: -0.462
local terms energy: -389.818564
where:
bonds (distance) C4'-P energy: -79.604
bonds (distance) P-C4' energy: -87.225
flat angles C4'-P-C4' energy: -92.071
flat angles P-C4'-P energy: -65.236
tors. eta vs tors. theta energy: -65.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 260
Temperature: 1.050000
Total energy: -724.998044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -724.998044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -724.998044 (E_RNA)
where:
Base-Base interactions energy: -349.069
where: short stacking energy: -259.607
Base-Backbone interact. energy: -2.403
local terms energy: -373.525841
where:
bonds (distance) C4'-P energy: -87.397
bonds (distance) P-C4' energy: -91.475
flat angles C4'-P-C4' energy: -98.732
flat angles P-C4'-P energy: -50.791
tors. eta vs tors. theta energy: -45.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 260
Temperature: 1.100000
Total energy: -584.420363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -584.420363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -584.420363 (E_RNA)
where:
Base-Base interactions energy: -256.072
where: short stacking energy: -207.257
Base-Backbone interact. energy: -1.374
local terms energy: -326.974535
where:
bonds (distance) C4'-P energy: -89.230
bonds (distance) P-C4' energy: -81.646
flat angles C4'-P-C4' energy: -77.421
flat angles P-C4'-P energy: -53.040
tors. eta vs tors. theta energy: -25.637
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 260
Temperature: 1.150000
Total energy: -592.705289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -592.705289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -592.705289 (E_RNA)
where:
Base-Base interactions energy: -268.910
where: short stacking energy: -186.705
Base-Backbone interact. energy: -2.863
local terms energy: -320.932547
where:
bonds (distance) C4'-P energy: -69.170
bonds (distance) P-C4' energy: -92.242
flat angles C4'-P-C4' energy: -78.749
flat angles P-C4'-P energy: -50.404
tors. eta vs tors. theta energy: -30.367
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 260
Temperature: 1.200000
Total energy: -450.932930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -450.932930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -450.932930 (E_RNA)
where:
Base-Base interactions energy: -162.696
where: short stacking energy: -154.497
Base-Backbone interact. energy: 3.589
local terms energy: -291.825794
where:
bonds (distance) C4'-P energy: -82.616
bonds (distance) P-C4' energy: -78.626
flat angles C4'-P-C4' energy: -70.010
flat angles P-C4'-P energy: -42.163
tors. eta vs tors. theta energy: -18.411
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: 9
=====================================
Write number: 260
Temperature: 1.250000
Total energy: -409.071080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -409.071080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -409.071080 (E_RNA)
where:
Base-Base interactions energy: -148.848
where: short stacking energy: -127.293
Base-Backbone interact. energy: -0.617
local terms energy: -259.605681
where:
bonds (distance) C4'-P energy: -74.403
bonds (distance) P-C4' energy: -74.426
flat angles C4'-P-C4' energy: -75.075
flat angles P-C4'-P energy: -38.099
tors. eta vs tors. theta energy: 2.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 260
Temperature: 1.300000
Total energy: -377.787813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -377.787813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -377.787813 (E_RNA)
where:
Base-Base interactions energy: -104.113
where: short stacking energy: -89.160
Base-Backbone interact. energy: -1.777
local terms energy: -271.898009
where:
bonds (distance) C4'-P energy: -81.184
bonds (distance) P-C4' energy: -92.087
flat angles C4'-P-C4' energy: -71.248
flat angles P-C4'-P energy: -40.879
tors. eta vs tors. theta energy: 13.499
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 260
Temperature: 1.350000
Total energy: -340.153566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.153566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.153566 (E_RNA)
where:
Base-Base interactions energy: -126.981
where: short stacking energy: -101.035
Base-Backbone interact. energy: 1.833
local terms energy: -215.005692
where:
bonds (distance) C4'-P energy: -58.947
bonds (distance) P-C4' energy: -78.783
flat angles C4'-P-C4' energy: -62.472
flat angles P-C4'-P energy: -29.722
tors. eta vs tors. theta energy: 14.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 261
Temperature: 0.900000
Total energy: -1253.954871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1253.954871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1253.954871 (E_RNA)
where:
Base-Base interactions energy: -766.070
where: short stacking energy: -424.793
Base-Backbone interact. energy: -2.655
local terms energy: -485.230262
where:
bonds (distance) C4'-P energy: -98.051
bonds (distance) P-C4' energy: -95.027
flat angles C4'-P-C4' energy: -93.073
flat angles P-C4'-P energy: -72.259
tors. eta vs tors. theta energy: -126.821
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 261
Temperature: 0.950000
Total energy: -1110.056333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1110.056333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1110.056333 (E_RNA)
where:
Base-Base interactions energy: -662.254
where: short stacking energy: -360.540
Base-Backbone interact. energy: -0.750
local terms energy: -447.052378
where:
bonds (distance) C4'-P energy: -96.420
bonds (distance) P-C4' energy: -95.359
flat angles C4'-P-C4' energy: -101.068
flat angles P-C4'-P energy: -57.246
tors. eta vs tors. theta energy: -96.959
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: 3, replica: 6
=====================================
Write number: 261
Temperature: 1.000000
Total energy: -940.056135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -940.056135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -940.056135 (E_RNA)
where:
Base-Base interactions energy: -530.308
where: short stacking energy: -319.619
Base-Backbone interact. energy: 2.656
local terms energy: -412.404039
where:
bonds (distance) C4'-P energy: -79.539
bonds (distance) P-C4' energy: -89.044
flat angles C4'-P-C4' energy: -95.391
flat angles P-C4'-P energy: -54.822
tors. eta vs tors. theta energy: -93.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 261
Temperature: 1.050000
Total energy: -702.436446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -702.436446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -702.436446 (E_RNA)
where:
Base-Base interactions energy: -326.350
where: short stacking energy: -231.225
Base-Backbone interact. energy: 0.877
local terms energy: -376.963305
where:
bonds (distance) C4'-P energy: -104.450
bonds (distance) P-C4' energy: -80.548
flat angles C4'-P-C4' energy: -80.867
flat angles P-C4'-P energy: -49.323
tors. eta vs tors. theta energy: -61.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 261
Temperature: 1.100000
Total energy: -658.743842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -658.743842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -658.743842 (E_RNA)
where:
Base-Base interactions energy: -285.190
where: short stacking energy: -210.152
Base-Backbone interact. energy: 0.014
local terms energy: -373.567434
where:
bonds (distance) C4'-P energy: -84.067
bonds (distance) P-C4' energy: -96.779
flat angles C4'-P-C4' energy: -78.499
flat angles P-C4'-P energy: -66.380
tors. eta vs tors. theta energy: -47.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 261
Temperature: 1.150000
Total energy: -481.638840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.638840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -481.638840 (E_RNA)
where:
Base-Base interactions energy: -195.254
where: short stacking energy: -163.482
Base-Backbone interact. energy: 7.221
local terms energy: -293.605797
where:
bonds (distance) C4'-P energy: -78.817
bonds (distance) P-C4' energy: -84.418
flat angles C4'-P-C4' energy: -79.177
flat angles P-C4'-P energy: -41.537
tors. eta vs tors. theta energy: -9.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 261
Temperature: 1.200000
Total energy: -509.457604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.457604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.457604 (E_RNA)
where:
Base-Base interactions energy: -201.200
where: short stacking energy: -153.113
Base-Backbone interact. energy: 2.679
local terms energy: -310.935767
where:
bonds (distance) C4'-P energy: -86.554
bonds (distance) P-C4' energy: -91.475
flat angles C4'-P-C4' energy: -68.675
flat angles P-C4'-P energy: -46.112
tors. eta vs tors. theta energy: -18.119
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 261
Temperature: 1.250000
Total energy: -420.471997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.471997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -420.471997 (E_RNA)
where:
Base-Base interactions energy: -129.566
where: short stacking energy: -114.736
Base-Backbone interact. energy: 3.566
local terms energy: -294.471307
where:
bonds (distance) C4'-P energy: -83.878
bonds (distance) P-C4' energy: -80.785
flat angles C4'-P-C4' energy: -84.855
flat angles P-C4'-P energy: -39.650
tors. eta vs tors. theta energy: -5.302
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 261
Temperature: 1.300000
Total energy: -393.240530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.240530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -393.240530 (E_RNA)
where:
Base-Base interactions energy: -137.548
where: short stacking energy: -115.243
Base-Backbone interact. energy: -4.142
local terms energy: -251.550059
where:
bonds (distance) C4'-P energy: -68.585
bonds (distance) P-C4' energy: -70.852
flat angles C4'-P-C4' energy: -58.097
flat angles P-C4'-P energy: -56.436
tors. eta vs tors. theta energy: 2.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 261
Temperature: 1.350000
Total energy: -332.326310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.326310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.326310 (E_RNA)
where:
Base-Base interactions energy: -90.804
where: short stacking energy: -74.690
Base-Backbone interact. energy: 1.034
local terms energy: -242.556791
where:
bonds (distance) C4'-P energy: -73.025
bonds (distance) P-C4' energy: -84.982
flat angles C4'-P-C4' energy: -69.268
flat angles P-C4'-P energy: -33.432
tors. eta vs tors. theta energy: 18.150
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: 1
=====================================
Write number: 262
Temperature: 0.900000
Total energy: -1256.084012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1256.084012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1256.084012 (E_RNA)
where:
Base-Base interactions energy: -776.689
where: short stacking energy: -439.351
Base-Backbone interact. energy: 0.247
local terms energy: -479.642650
where:
bonds (distance) C4'-P energy: -90.059
bonds (distance) P-C4' energy: -84.506
flat angles C4'-P-C4' energy: -103.396
flat angles P-C4'-P energy: -68.043
tors. eta vs tors. theta energy: -133.639
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: 4
=====================================
Write number: 262
Temperature: 0.950000
Total energy: -1101.182461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1101.182461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1101.182461 (E_RNA)
where:
Base-Base interactions energy: -634.472
where: short stacking energy: -384.057
Base-Backbone interact. energy: 0.708
local terms energy: -467.418544
where:
bonds (distance) C4'-P energy: -91.492
bonds (distance) P-C4' energy: -96.765
flat angles C4'-P-C4' energy: -101.402
flat angles P-C4'-P energy: -69.960
tors. eta vs tors. theta energy: -107.800
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 262
Temperature: 1.000000
Total energy: -952.886007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -952.886007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -952.886007 (E_RNA)
where:
Base-Base interactions energy: -519.639
where: short stacking energy: -300.732
Base-Backbone interact. energy: -1.815
local terms energy: -431.431904
where:
bonds (distance) C4'-P energy: -88.843
bonds (distance) P-C4' energy: -101.128
flat angles C4'-P-C4' energy: -96.731
flat angles P-C4'-P energy: -59.646
tors. eta vs tors. theta energy: -85.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 262
Temperature: 1.050000
Total energy: -695.401334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -695.401334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -695.401334 (E_RNA)
where:
Base-Base interactions energy: -341.794
where: short stacking energy: -246.162
Base-Backbone interact. energy: -0.334
local terms energy: -353.274062
where:
bonds (distance) C4'-P energy: -91.407
bonds (distance) P-C4' energy: -81.173
flat angles C4'-P-C4' energy: -87.564
flat angles P-C4'-P energy: -51.140
tors. eta vs tors. theta energy: -41.991
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: 5, replica: 7
=====================================
Write number: 262
Temperature: 1.100000
Total energy: -608.328249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -608.328249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -608.328249 (E_RNA)
where:
Base-Base interactions energy: -279.567
where: short stacking energy: -198.495
Base-Backbone interact. energy: -1.585
local terms energy: -327.176632
where:
bonds (distance) C4'-P energy: -88.553
bonds (distance) P-C4' energy: -91.778
flat angles C4'-P-C4' energy: -83.398
flat angles P-C4'-P energy: -40.924
tors. eta vs tors. theta energy: -22.524
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: 5
=====================================
Write number: 262
Temperature: 1.150000
Total energy: -492.019918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.019918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.019918 (E_RNA)
where:
Base-Base interactions energy: -184.367
where: short stacking energy: -144.568
Base-Backbone interact. energy: -1.841
local terms energy: -305.812369
where:
bonds (distance) C4'-P energy: -85.907
bonds (distance) P-C4' energy: -89.891
flat angles C4'-P-C4' energy: -67.034
flat angles P-C4'-P energy: -42.402
tors. eta vs tors. theta energy: -20.578
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: 7, replica: 8
=====================================
Write number: 262
Temperature: 1.200000
Total energy: -495.979349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.979349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.979349 (E_RNA)
where:
Base-Base interactions energy: -227.565
where: short stacking energy: -171.768
Base-Backbone interact. energy: -1.136
local terms energy: -267.279068
where:
bonds (distance) C4'-P energy: -65.266
bonds (distance) P-C4' energy: -84.156
flat angles C4'-P-C4' energy: -66.352
flat angles P-C4'-P energy: -41.288
tors. eta vs tors. theta energy: -10.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 262
Temperature: 1.250000
Total energy: -399.776625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -399.776625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -399.776625 (E_RNA)
where:
Base-Base interactions energy: -144.196
where: short stacking energy: -135.847
Base-Backbone interact. energy: 1.112
local terms energy: -256.692638
where:
bonds (distance) C4'-P energy: -64.812
bonds (distance) P-C4' energy: -80.813
flat angles C4'-P-C4' energy: -66.761
flat angles P-C4'-P energy: -35.976
tors. eta vs tors. theta energy: -8.331
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: 9, replica: 9
=====================================
Write number: 262
Temperature: 1.300000
Total energy: -379.334484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -379.334484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -379.334484 (E_RNA)
where:
Base-Base interactions energy: -130.522
where: short stacking energy: -124.322
Base-Backbone interact. energy: 1.797
local terms energy: -250.609790
where:
bonds (distance) C4'-P energy: -81.115
bonds (distance) P-C4' energy: -54.425
flat angles C4'-P-C4' energy: -73.924
flat angles P-C4'-P energy: -33.564
tors. eta vs tors. theta energy: -7.582
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: 10
=====================================
Write number: 262
Temperature: 1.350000
Total energy: -344.943625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.943625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.943625 (E_RNA)
where:
Base-Base interactions energy: -120.665
where: short stacking energy: -102.765
Base-Backbone interact. energy: 2.868
local terms energy: -227.146020
where:
bonds (distance) C4'-P energy: -60.325
bonds (distance) P-C4' energy: -80.539
flat angles C4'-P-C4' energy: -51.747
flat angles P-C4'-P energy: -40.423
tors. eta vs tors. theta energy: 5.888
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: 1
=====================================
Write number: 263
Temperature: 0.900000
Total energy: -1266.999874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1266.999874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1266.999874 (E_RNA)
where:
Base-Base interactions energy: -788.096
where: short stacking energy: -431.696
Base-Backbone interact. energy: -0.169
local terms energy: -478.735039
where:
bonds (distance) C4'-P energy: -74.880
bonds (distance) P-C4' energy: -95.798
flat angles C4'-P-C4' energy: -105.601
flat angles P-C4'-P energy: -74.199
tors. eta vs tors. theta energy: -128.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 263
Temperature: 0.950000
Total energy: -1121.885558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1121.885558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1121.885558 (E_RNA)
where:
Base-Base interactions energy: -659.040
where: short stacking energy: -391.891
Base-Backbone interact. energy: 1.614
local terms energy: -464.459434
where:
bonds (distance) C4'-P energy: -98.569
bonds (distance) P-C4' energy: -85.694
flat angles C4'-P-C4' energy: -97.553
flat angles P-C4'-P energy: -63.988
tors. eta vs tors. theta energy: -118.655
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 263
Temperature: 1.000000
Total energy: -951.967712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -951.967712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -951.967712 (E_RNA)
where:
Base-Base interactions energy: -516.164
where: short stacking energy: -295.192
Base-Backbone interact. energy: -1.700
local terms energy: -434.103433
where:
bonds (distance) C4'-P energy: -96.208
bonds (distance) P-C4' energy: -96.540
flat angles C4'-P-C4' energy: -99.719
flat angles P-C4'-P energy: -61.894
tors. eta vs tors. theta energy: -79.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 263
Temperature: 1.050000
Total energy: -714.344945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -714.344945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -714.344945 (E_RNA)
where:
Base-Base interactions energy: -338.767
where: short stacking energy: -241.916
Base-Backbone interact. energy: -1.622
local terms energy: -373.955573
where:
bonds (distance) C4'-P energy: -80.957
bonds (distance) P-C4' energy: -88.403
flat angles C4'-P-C4' energy: -88.990
flat angles P-C4'-P energy: -59.277
tors. eta vs tors. theta energy: -56.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 263
Temperature: 1.100000
Total energy: -654.895375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -654.895375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -654.895375 (E_RNA)
where:
Base-Base interactions energy: -278.778
where: short stacking energy: -193.717
Base-Backbone interact. energy: -1.074
local terms energy: -375.042967
where:
bonds (distance) C4'-P energy: -91.012
bonds (distance) P-C4' energy: -98.402
flat angles C4'-P-C4' energy: -92.063
flat angles P-C4'-P energy: -64.811
tors. eta vs tors. theta energy: -28.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 263
Temperature: 1.150000
Total energy: -560.224496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -560.224496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -560.224496 (E_RNA)
where:
Base-Base interactions energy: -229.886
where: short stacking energy: -167.078
Base-Backbone interact. energy: 1.320
local terms energy: -331.657638
where:
bonds (distance) C4'-P energy: -91.480
bonds (distance) P-C4' energy: -88.091
flat angles C4'-P-C4' energy: -81.500
flat angles P-C4'-P energy: -39.420
tors. eta vs tors. theta energy: -31.167
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: 7, replica: 5
=====================================
Write number: 263
Temperature: 1.200000
Total energy: -451.406072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -451.406072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -451.406072 (E_RNA)
where:
Base-Base interactions energy: -179.981
where: short stacking energy: -133.897
Base-Backbone interact. energy: -1.772
local terms energy: -269.653122
where:
bonds (distance) C4'-P energy: -73.566
bonds (distance) P-C4' energy: -89.871
flat angles C4'-P-C4' energy: -66.838
flat angles P-C4'-P energy: -53.102
tors. eta vs tors. theta energy: 13.724
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 263
Temperature: 1.250000
Total energy: -459.551139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -459.551139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -459.551139 (E_RNA)
where:
Base-Base interactions energy: -154.702
where: short stacking energy: -138.543
Base-Backbone interact. energy: 3.024
local terms energy: -307.873306
where:
bonds (distance) C4'-P energy: -84.207
bonds (distance) P-C4' energy: -80.870
flat angles C4'-P-C4' energy: -72.319
flat angles P-C4'-P energy: -59.646
tors. eta vs tors. theta energy: -10.832
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 263
Temperature: 1.300000
Total energy: -407.258102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.258102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -407.258102 (E_RNA)
where:
Base-Base interactions energy: -144.619
where: short stacking energy: -112.794
Base-Backbone interact. energy: 4.115
local terms energy: -266.754294
where:
bonds (distance) C4'-P energy: -78.361
bonds (distance) P-C4' energy: -83.687
flat angles C4'-P-C4' energy: -65.056
flat angles P-C4'-P energy: -34.069
tors. eta vs tors. theta energy: -5.581
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 263
Temperature: 1.350000
Total energy: -343.961057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.961057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.961057 (E_RNA)
where:
Base-Base interactions energy: -105.725
where: short stacking energy: -99.214
Base-Backbone interact. energy: 0.302
local terms energy: -238.537884
where:
bonds (distance) C4'-P energy: -71.629
bonds (distance) P-C4' energy: -74.920
flat angles C4'-P-C4' energy: -74.563
flat angles P-C4'-P energy: -32.050
tors. eta vs tors. theta energy: 14.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 264
Temperature: 0.900000
Total energy: -1266.299281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1266.299281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1266.299281 (E_RNA)
where:
Base-Base interactions energy: -779.021
where: short stacking energy: -434.430
Base-Backbone interact. energy: -1.605
local terms energy: -485.672700
where:
bonds (distance) C4'-P energy: -91.317
bonds (distance) P-C4' energy: -99.972
flat angles C4'-P-C4' energy: -107.521
flat angles P-C4'-P energy: -63.745
tors. eta vs tors. theta energy: -123.117
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 264
Temperature: 0.950000
Total energy: -1141.738660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1141.738660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1141.738660 (E_RNA)
where:
Base-Base interactions energy: -685.916
where: short stacking energy: -380.996
Base-Backbone interact. energy: -0.501
local terms energy: -455.321472
where:
bonds (distance) C4'-P energy: -89.031
bonds (distance) P-C4' energy: -90.206
flat angles C4'-P-C4' energy: -101.341
flat angles P-C4'-P energy: -63.057
tors. eta vs tors. theta energy: -111.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 264
Temperature: 1.000000
Total energy: -942.215044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -942.215044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -942.215044 (E_RNA)
where:
Base-Base interactions energy: -532.782
where: short stacking energy: -324.045
Base-Backbone interact. energy: -1.536
local terms energy: -407.897205
where:
bonds (distance) C4'-P energy: -86.243
bonds (distance) P-C4' energy: -89.064
flat angles C4'-P-C4' energy: -89.097
flat angles P-C4'-P energy: -63.189
tors. eta vs tors. theta energy: -80.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 264
Temperature: 1.050000
Total energy: -715.298234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -715.298234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -715.298234 (E_RNA)
where:
Base-Base interactions energy: -320.216
where: short stacking energy: -248.493
Base-Backbone interact. energy: -0.181
local terms energy: -394.901158
where:
bonds (distance) C4'-P energy: -97.741
bonds (distance) P-C4' energy: -100.932
flat angles C4'-P-C4' energy: -92.503
flat angles P-C4'-P energy: -52.896
tors. eta vs tors. theta energy: -50.829
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 264
Temperature: 1.100000
Total energy: -682.180458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -682.180458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -682.180458 (E_RNA)
where:
Base-Base interactions energy: -300.052
where: short stacking energy: -207.790
Base-Backbone interact. energy: -2.660
local terms energy: -379.467833
where:
bonds (distance) C4'-P energy: -86.348
bonds (distance) P-C4' energy: -94.166
flat angles C4'-P-C4' energy: -92.891
flat angles P-C4'-P energy: -57.942
tors. eta vs tors. theta energy: -48.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 264
Temperature: 1.150000
Total energy: -543.726203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.726203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.726203 (E_RNA)
where:
Base-Base interactions energy: -233.038
where: short stacking energy: -160.009
Base-Backbone interact. energy: 0.514
local terms energy: -311.201824
where:
bonds (distance) C4'-P energy: -97.406
bonds (distance) P-C4' energy: -76.456
flat angles C4'-P-C4' energy: -72.550
flat angles P-C4'-P energy: -53.171
tors. eta vs tors. theta energy: -11.619
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: 5
=====================================
Write number: 264
Temperature: 1.200000
Total energy: -452.034885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -452.034885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -452.034885 (E_RNA)
where:
Base-Base interactions energy: -155.078
where: short stacking energy: -127.482
Base-Backbone interact. energy: -0.438
local terms energy: -296.519135
where:
bonds (distance) C4'-P energy: -95.008
bonds (distance) P-C4' energy: -84.015
flat angles C4'-P-C4' energy: -72.242
flat angles P-C4'-P energy: -37.924
tors. eta vs tors. theta energy: -7.329
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: 9
=====================================
Write number: 264
Temperature: 1.250000
Total energy: -410.300805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.300805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -410.300805 (E_RNA)
where:
Base-Base interactions energy: -138.242
where: short stacking energy: -127.671
Base-Backbone interact. energy: -1.457
local terms energy: -270.601290
where:
bonds (distance) C4'-P energy: -74.696
bonds (distance) P-C4' energy: -72.148
flat angles C4'-P-C4' energy: -77.390
flat angles P-C4'-P energy: -39.950
tors. eta vs tors. theta energy: -6.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 264
Temperature: 1.300000
Total energy: -357.695827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.695827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.695827 (E_RNA)
where:
Base-Base interactions energy: -126.696
where: short stacking energy: -114.060
Base-Backbone interact. energy: 5.091
local terms energy: -236.090845
where:
bonds (distance) C4'-P energy: -64.487
bonds (distance) P-C4' energy: -71.590
flat angles C4'-P-C4' energy: -63.137
flat angles P-C4'-P energy: -45.395
tors. eta vs tors. theta energy: 8.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 264
Temperature: 1.350000
Total energy: -333.614468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.614468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.614468 (E_RNA)
where:
Base-Base interactions energy: -114.307
where: short stacking energy: -97.669
Base-Backbone interact. energy: 1.451
local terms energy: -220.758997
where:
bonds (distance) C4'-P energy: -83.694
bonds (distance) P-C4' energy: -67.977
flat angles C4'-P-C4' energy: -60.288
flat angles P-C4'-P energy: -37.519
tors. eta vs tors. theta energy: 28.718
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 265
Temperature: 0.900000
Total energy: -1261.129895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1261.129895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1261.129895 (E_RNA)
where:
Base-Base interactions energy: -787.467
where: short stacking energy: -424.747
Base-Backbone interact. energy: 0.591
local terms energy: -474.253921
where:
bonds (distance) C4'-P energy: -98.934
bonds (distance) P-C4' energy: -96.670
flat angles C4'-P-C4' energy: -93.664
flat angles P-C4'-P energy: -67.181
tors. eta vs tors. theta energy: -117.805
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: 4
=====================================
Write number: 265
Temperature: 0.950000
Total energy: -1186.074274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1186.074274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1186.074274 (E_RNA)
where:
Base-Base interactions energy: -702.733
where: short stacking energy: -426.100
Base-Backbone interact. energy: 0.845
local terms energy: -484.186806
where:
bonds (distance) C4'-P energy: -96.488
bonds (distance) P-C4' energy: -101.957
flat angles C4'-P-C4' energy: -96.096
flat angles P-C4'-P energy: -69.494
tors. eta vs tors. theta energy: -120.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 265
Temperature: 1.000000
Total energy: -896.158573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -896.158573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -896.158573 (E_RNA)
where:
Base-Base interactions energy: -473.354
where: short stacking energy: -282.624
Base-Backbone interact. energy: -0.522
local terms energy: -422.282746
where:
bonds (distance) C4'-P energy: -96.553
bonds (distance) P-C4' energy: -90.444
flat angles C4'-P-C4' energy: -106.620
flat angles P-C4'-P energy: -60.698
tors. eta vs tors. theta energy: -67.968
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 265
Temperature: 1.050000
Total energy: -729.075076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -729.075076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -729.075076 (E_RNA)
where:
Base-Base interactions energy: -353.153
where: short stacking energy: -251.437
Base-Backbone interact. energy: -1.138
local terms energy: -374.784294
where:
bonds (distance) C4'-P energy: -91.526
bonds (distance) P-C4' energy: -93.790
flat angles C4'-P-C4' energy: -93.516
flat angles P-C4'-P energy: -36.737
tors. eta vs tors. theta energy: -59.215
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 265
Temperature: 1.100000
Total energy: -735.757988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -735.757988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -735.757988 (E_RNA)
where:
Base-Base interactions energy: -343.724
where: short stacking energy: -250.437
Base-Backbone interact. energy: -0.754
local terms energy: -391.280530
where:
bonds (distance) C4'-P energy: -86.012
bonds (distance) P-C4' energy: -103.729
flat angles C4'-P-C4' energy: -89.256
flat angles P-C4'-P energy: -48.617
tors. eta vs tors. theta energy: -63.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 265
Temperature: 1.150000
Total energy: -633.698658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -633.698658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -633.698658 (E_RNA)
where:
Base-Base interactions energy: -296.595
where: short stacking energy: -190.129
Base-Backbone interact. energy: 0.324
local terms energy: -337.427591
where:
bonds (distance) C4'-P energy: -79.203
bonds (distance) P-C4' energy: -79.638
flat angles C4'-P-C4' energy: -78.635
flat angles P-C4'-P energy: -54.016
tors. eta vs tors. theta energy: -45.935
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 265
Temperature: 1.200000
Total energy: -416.878685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.878685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.878685 (E_RNA)
where:
Base-Base interactions energy: -154.437
where: short stacking energy: -131.531
Base-Backbone interact. energy: 2.377
local terms energy: -264.817984
where:
bonds (distance) C4'-P energy: -86.612
bonds (distance) P-C4' energy: -77.046
flat angles C4'-P-C4' energy: -65.348
flat angles P-C4'-P energy: -37.265
tors. eta vs tors. theta energy: 1.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 265
Temperature: 1.250000
Total energy: -454.635507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -454.635507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -454.635507 (E_RNA)
where:
Base-Base interactions energy: -169.400
where: short stacking energy: -127.590
Base-Backbone interact. energy: -0.040
local terms energy: -285.195711
where:
bonds (distance) C4'-P energy: -80.902
bonds (distance) P-C4' energy: -92.547
flat angles C4'-P-C4' energy: -73.556
flat angles P-C4'-P energy: -43.286
tors. eta vs tors. theta energy: 5.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 265
Temperature: 1.300000
Total energy: -371.196382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.196382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.196382 (E_RNA)
where:
Base-Base interactions energy: -110.284
where: short stacking energy: -101.552
Base-Backbone interact. energy: 0.588
local terms energy: -261.500981
where:
bonds (distance) C4'-P energy: -79.565
bonds (distance) P-C4' energy: -84.455
flat angles C4'-P-C4' energy: -59.653
flat angles P-C4'-P energy: -50.976
tors. eta vs tors. theta energy: 13.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 265
Temperature: 1.350000
Total energy: -344.062814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.062814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.062814 (E_RNA)
where:
Base-Base interactions energy: -98.431
where: short stacking energy: -90.194
Base-Backbone interact. energy: 0.166
local terms energy: -245.797723
where:
bonds (distance) C4'-P energy: -62.765
bonds (distance) P-C4' energy: -70.334
flat angles C4'-P-C4' energy: -73.074
flat angles P-C4'-P energy: -40.195
tors. eta vs tors. theta energy: 0.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 266
Temperature: 0.900000
Total energy: -1257.381707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1257.381707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1257.381707 (E_RNA)
where:
Base-Base interactions energy: -786.239
where: short stacking energy: -433.065
Base-Backbone interact. energy: -0.138
local terms energy: -471.004965
where:
bonds (distance) C4'-P energy: -89.589
bonds (distance) P-C4' energy: -96.554
flat angles C4'-P-C4' energy: -100.261
flat angles P-C4'-P energy: -66.250
tors. eta vs tors. theta energy: -118.351
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 266
Temperature: 0.950000
Total energy: -1170.134014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1170.134014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1170.134014 (E_RNA)
where:
Base-Base interactions energy: -711.426
where: short stacking energy: -396.653
Base-Backbone interact. energy: 5.361
local terms energy: -464.069079
where:
bonds (distance) C4'-P energy: -87.528
bonds (distance) P-C4' energy: -95.390
flat angles C4'-P-C4' energy: -101.734
flat angles P-C4'-P energy: -64.835
tors. eta vs tors. theta energy: -114.582
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: 6
=====================================
Write number: 266
Temperature: 1.000000
Total energy: -961.076093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -961.076093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -961.076093 (E_RNA)
where:
Base-Base interactions energy: -559.175
where: short stacking energy: -330.338
Base-Backbone interact. energy: 1.347
local terms energy: -403.248265
where:
bonds (distance) C4'-P energy: -83.241
bonds (distance) P-C4' energy: -89.106
flat angles C4'-P-C4' energy: -95.514
flat angles P-C4'-P energy: -48.282
tors. eta vs tors. theta energy: -87.104
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: 7
=====================================
Write number: 266
Temperature: 1.050000
Total energy: -805.597739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -805.597739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -805.597739 (E_RNA)
where:
Base-Base interactions energy: -405.011
where: short stacking energy: -280.582
Base-Backbone interact. energy: 0.101
local terms energy: -400.687884
where:
bonds (distance) C4'-P energy: -83.872
bonds (distance) P-C4' energy: -95.159
flat angles C4'-P-C4' energy: -98.202
flat angles P-C4'-P energy: -52.751
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: 2
=====================================
Write number: 266
Temperature: 1.100000
Total energy: -769.089004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -769.089004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -769.089004 (E_RNA)
where:
Base-Base interactions energy: -390.907
where: short stacking energy: -228.987
Base-Backbone interact. energy: 2.610
local terms energy: -380.792525
where:
bonds (distance) C4'-P energy: -92.293
bonds (distance) P-C4' energy: -93.589
flat angles C4'-P-C4' energy: -90.089
flat angles P-C4'-P energy: -53.148
tors. eta vs tors. theta energy: -51.674
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 266
Temperature: 1.150000
Total energy: -628.847602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -628.847602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -628.847602 (E_RNA)
where:
Base-Base interactions energy: -283.840
where: short stacking energy: -204.577
Base-Backbone interact. energy: -0.519
local terms energy: -344.488513
where:
bonds (distance) C4'-P energy: -77.701
bonds (distance) P-C4' energy: -94.533
flat angles C4'-P-C4' energy: -84.021
flat angles P-C4'-P energy: -53.240
tors. eta vs tors. theta energy: -34.993
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: 5
=====================================
Write number: 266
Temperature: 1.200000
Total energy: -472.723686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -472.723686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.723686 (E_RNA)
where:
Base-Base interactions energy: -163.454
where: short stacking energy: -149.615
Base-Backbone interact. energy: 0.346
local terms energy: -309.615950
where:
bonds (distance) C4'-P energy: -85.031
bonds (distance) P-C4' energy: -75.626
flat angles C4'-P-C4' energy: -90.057
flat angles P-C4'-P energy: -48.874
tors. eta vs tors. theta energy: -10.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 266
Temperature: 1.250000
Total energy: -406.559511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.559511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -406.559511 (E_RNA)
where:
Base-Base interactions energy: -146.448
where: short stacking energy: -120.115
Base-Backbone interact. energy: 1.543
local terms energy: -261.654405
where:
bonds (distance) C4'-P energy: -83.336
bonds (distance) P-C4' energy: -79.055
flat angles C4'-P-C4' energy: -58.913
flat angles P-C4'-P energy: -42.389
tors. eta vs tors. theta energy: 2.039
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: 9, replica: 3
=====================================
Write number: 266
Temperature: 1.300000
Total energy: -393.766545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.766545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -393.766545 (E_RNA)
where:
Base-Base interactions energy: -144.931
where: short stacking energy: -129.272
Base-Backbone interact. energy: 4.475
local terms energy: -253.310751
where:
bonds (distance) C4'-P energy: -87.238
bonds (distance) P-C4' energy: -82.245
flat angles C4'-P-C4' energy: -57.454
flat angles P-C4'-P energy: -18.846
tors. eta vs tors. theta energy: -7.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 266
Temperature: 1.350000
Total energy: -319.518392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.518392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.518392 (E_RNA)
where:
Base-Base interactions energy: -92.407
where: short stacking energy: -83.357
Base-Backbone interact. energy: 1.326
local terms energy: -228.436913
where:
bonds (distance) C4'-P energy: -80.772
bonds (distance) P-C4' energy: -74.114
flat angles C4'-P-C4' energy: -51.731
flat angles P-C4'-P energy: -45.303
tors. eta vs tors. theta energy: 23.483
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: 1
=====================================
Write number: 267
Temperature: 0.900000
Total energy: -1212.490497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1212.490497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1212.490497 (E_RNA)
where:
Base-Base interactions energy: -748.007
where: short stacking energy: -415.134
Base-Backbone interact. energy: -3.529
local terms energy: -460.954001
where:
bonds (distance) C4'-P energy: -89.843
bonds (distance) P-C4' energy: -91.447
flat angles C4'-P-C4' energy: -95.359
flat angles P-C4'-P energy: -65.103
tors. eta vs tors. theta energy: -119.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 267
Temperature: 0.950000
Total energy: -1183.222659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1183.222659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1183.222659 (E_RNA)
where:
Base-Base interactions energy: -713.717
where: short stacking energy: -406.579
Base-Backbone interact. energy: 0.289
local terms energy: -469.794294
where:
bonds (distance) C4'-P energy: -94.432
bonds (distance) P-C4' energy: -94.482
flat angles C4'-P-C4' energy: -99.353
flat angles P-C4'-P energy: -62.271
tors. eta vs tors. theta energy: -119.256
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: 6
=====================================
Write number: 267
Temperature: 1.000000
Total energy: -908.951856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -908.951856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -908.951856 (E_RNA)
where:
Base-Base interactions energy: -517.737
where: short stacking energy: -324.081
Base-Backbone interact. energy: 0.233
local terms energy: -391.448059
where:
bonds (distance) C4'-P energy: -84.265
bonds (distance) P-C4' energy: -79.721
flat angles C4'-P-C4' energy: -91.794
flat angles P-C4'-P energy: -65.267
tors. eta vs tors. theta energy: -70.401
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: 2
=====================================
Write number: 267
Temperature: 1.050000
Total energy: -847.375300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -847.375300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -847.375300 (E_RNA)
where:
Base-Base interactions energy: -454.501
where: short stacking energy: -292.648
Base-Backbone interact. energy: -0.561
local terms energy: -392.313762
where:
bonds (distance) C4'-P energy: -84.298
bonds (distance) P-C4' energy: -92.368
flat angles C4'-P-C4' energy: -94.242
flat angles P-C4'-P energy: -59.449
tors. eta vs tors. theta energy: -61.958
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 267
Temperature: 1.100000
Total energy: -735.525635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -735.525635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -735.525635 (E_RNA)
where:
Base-Base interactions energy: -376.404
where: short stacking energy: -235.477
Base-Backbone interact. energy: -1.000
local terms energy: -358.121648
where:
bonds (distance) C4'-P energy: -81.428
bonds (distance) P-C4' energy: -85.763
flat angles C4'-P-C4' energy: -83.353
flat angles P-C4'-P energy: -64.971
tors. eta vs tors. theta energy: -42.607
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 267
Temperature: 1.150000
Total energy: -561.486555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -561.486555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -561.486555 (E_RNA)
where:
Base-Base interactions energy: -254.047
where: short stacking energy: -183.581
Base-Backbone interact. energy: -2.816
local terms energy: -304.623546
where:
bonds (distance) C4'-P energy: -82.441
bonds (distance) P-C4' energy: -75.025
flat angles C4'-P-C4' energy: -77.750
flat angles P-C4'-P energy: -50.949
tors. eta vs tors. theta energy: -18.460
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: 5
=====================================
Write number: 267
Temperature: 1.200000
Total energy: -446.299960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -446.299960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -446.299960 (E_RNA)
where:
Base-Base interactions energy: -168.402
where: short stacking energy: -138.885
Base-Backbone interact. energy: -2.317
local terms energy: -275.580904
where:
bonds (distance) C4'-P energy: -81.939
bonds (distance) P-C4' energy: -86.434
flat angles C4'-P-C4' energy: -65.760
flat angles P-C4'-P energy: -40.212
tors. eta vs tors. theta energy: -1.236
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: 267
Temperature: 1.250000
Total energy: -410.455659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.455659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -410.455659 (E_RNA)
where:
Base-Base interactions energy: -152.553
where: short stacking energy: -138.981
Base-Backbone interact. energy: 0.364
local terms energy: -258.266674
where:
bonds (distance) C4'-P energy: -62.368
bonds (distance) P-C4' energy: -86.769
flat angles C4'-P-C4' energy: -79.002
flat angles P-C4'-P energy: -35.303
tors. eta vs tors. theta energy: 5.175
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 267
Temperature: 1.300000
Total energy: -392.094087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.094087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -392.094087 (E_RNA)
where:
Base-Base interactions energy: -138.895
where: short stacking energy: -129.577
Base-Backbone interact. energy: 1.144
local terms energy: -254.343190
where:
bonds (distance) C4'-P energy: -72.679
bonds (distance) P-C4' energy: -88.655
flat angles C4'-P-C4' energy: -59.474
flat angles P-C4'-P energy: -38.744
tors. eta vs tors. theta energy: 5.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 267
Temperature: 1.350000
Total energy: -375.716641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -375.716641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -375.716641 (E_RNA)
where:
Base-Base interactions energy: -126.745
where: short stacking energy: -116.098
Base-Backbone interact. energy: -1.081
local terms energy: -247.890582
where:
bonds (distance) C4'-P energy: -78.869
bonds (distance) P-C4' energy: -64.788
flat angles C4'-P-C4' energy: -69.809
flat angles P-C4'-P energy: -51.232
tors. eta vs tors. theta energy: 16.807
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: 4
=====================================
Write number: 268
Temperature: 0.900000
Total energy: -1239.733709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1239.733709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1239.733709 (E_RNA)
where:
Base-Base interactions energy: -753.730
where: short stacking energy: -444.077
Base-Backbone interact. energy: -2.253
local terms energy: -483.750028
where:
bonds (distance) C4'-P energy: -98.414
bonds (distance) P-C4' energy: -90.433
flat angles C4'-P-C4' energy: -103.541
flat angles P-C4'-P energy: -61.259
tors. eta vs tors. theta energy: -130.102
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: 268
Temperature: 0.950000
Total energy: -1157.720573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1157.720573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1157.720573 (E_RNA)
where:
Base-Base interactions energy: -679.649
where: short stacking energy: -362.532
Base-Backbone interact. energy: -2.841
local terms energy: -475.230825
where:
bonds (distance) C4'-P energy: -88.198
bonds (distance) P-C4' energy: -102.281
flat angles C4'-P-C4' energy: -107.819
flat angles P-C4'-P energy: -69.215
tors. eta vs tors. theta energy: -107.717
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 268
Temperature: 1.000000
Total energy: -831.333072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -831.333072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -831.333072 (E_RNA)
where:
Base-Base interactions energy: -438.921
where: short stacking energy: -298.564
Base-Backbone interact. energy: 0.889
local terms energy: -393.300840
where:
bonds (distance) C4'-P energy: -78.367
bonds (distance) P-C4' energy: -83.076
flat angles C4'-P-C4' energy: -96.512
flat angles P-C4'-P energy: -62.789
tors. eta vs tors. theta energy: -72.557
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 268
Temperature: 1.050000
Total energy: -857.070931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -857.070931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -857.070931 (E_RNA)
where:
Base-Base interactions energy: -456.773
where: short stacking energy: -281.747
Base-Backbone interact. energy: 1.398
local terms energy: -401.696351
where:
bonds (distance) C4'-P energy: -95.297
bonds (distance) P-C4' energy: -90.267
flat angles C4'-P-C4' energy: -94.725
flat angles P-C4'-P energy: -56.309
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: 5, replica: 7
=====================================
Write number: 268
Temperature: 1.100000
Total energy: -699.791874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -699.791874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -699.791874 (E_RNA)
where:
Base-Base interactions energy: -341.340
where: short stacking energy: -234.014
Base-Backbone interact. energy: -0.987
local terms energy: -357.464472
where:
bonds (distance) C4'-P energy: -81.418
bonds (distance) P-C4' energy: -92.028
flat angles C4'-P-C4' energy: -82.951
flat angles P-C4'-P energy: -52.598
tors. eta vs tors. theta energy: -48.469
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: 8
=====================================
Write number: 268
Temperature: 1.150000
Total energy: -595.630145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -595.630145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -595.630145 (E_RNA)
where:
Base-Base interactions energy: -287.223
where: short stacking energy: -197.549
Base-Backbone interact. energy: -2.412
local terms energy: -305.995138
where:
bonds (distance) C4'-P energy: -76.514
bonds (distance) P-C4' energy: -82.802
flat angles C4'-P-C4' energy: -77.774
flat angles P-C4'-P energy: -46.763
tors. eta vs tors. theta energy: -22.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 268
Temperature: 1.200000
Total energy: -469.880291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -469.880291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -469.880291 (E_RNA)
where:
Base-Base interactions energy: -185.504
where: short stacking energy: -152.364
Base-Backbone interact. energy: 0.481
local terms energy: -284.857660
where:
bonds (distance) C4'-P energy: -77.406
bonds (distance) P-C4' energy: -82.975
flat angles C4'-P-C4' energy: -64.664
flat angles P-C4'-P energy: -38.957
tors. eta vs tors. theta energy: -20.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 268
Temperature: 1.250000
Total energy: -413.623789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.623789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -413.623789 (E_RNA)
where:
Base-Base interactions energy: -151.091
where: short stacking energy: -137.565
Base-Backbone interact. energy: -1.104
local terms energy: -261.428903
where:
bonds (distance) C4'-P energy: -72.829
bonds (distance) P-C4' energy: -73.906
flat angles C4'-P-C4' energy: -72.548
flat angles P-C4'-P energy: -46.169
tors. eta vs tors. theta energy: 4.023
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: 10
=====================================
Write number: 268
Temperature: 1.300000
Total energy: -368.618732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.618732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.618732 (E_RNA)
where:
Base-Base interactions energy: -143.972
where: short stacking energy: -122.136
Base-Backbone interact. energy: 1.541
local terms energy: -226.188016
where:
bonds (distance) C4'-P energy: -57.182
bonds (distance) P-C4' energy: -76.450
flat angles C4'-P-C4' energy: -70.088
flat angles P-C4'-P energy: -24.902
tors. eta vs tors. theta energy: 2.434
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: 3
=====================================
Write number: 268
Temperature: 1.350000
Total energy: -343.210815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.210815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.210815 (E_RNA)
where:
Base-Base interactions energy: -109.060
where: short stacking energy: -89.808
Base-Backbone interact. energy: -0.952
local terms energy: -233.198833
where:
bonds (distance) C4'-P energy: -67.179
bonds (distance) P-C4' energy: -72.532
flat angles C4'-P-C4' energy: -64.648
flat angles P-C4'-P energy: -44.834
tors. eta vs tors. theta energy: 15.994
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 269
Temperature: 0.900000
Total energy: -1231.551205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1231.551205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1231.551205 (E_RNA)
where:
Base-Base interactions energy: -744.172
where: short stacking energy: -422.033
Base-Backbone interact. energy: -1.510
local terms energy: -485.869079
where:
bonds (distance) C4'-P energy: -83.096
bonds (distance) P-C4' energy: -109.578
flat angles C4'-P-C4' energy: -103.242
flat angles P-C4'-P energy: -68.757
tors. eta vs tors. theta energy: -121.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 269
Temperature: 0.950000
Total energy: -1194.974257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1194.974257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1194.974257 (E_RNA)
where:
Base-Base interactions energy: -719.092
where: short stacking energy: -390.517
Base-Backbone interact. energy: -1.421
local terms energy: -474.461464
where:
bonds (distance) C4'-P energy: -88.813
bonds (distance) P-C4' energy: -90.607
flat angles C4'-P-C4' energy: -104.213
flat angles P-C4'-P energy: -70.128
tors. eta vs tors. theta energy: -120.700
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: 2
=====================================
Write number: 269
Temperature: 1.000000
Total energy: -880.910370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -880.910370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -880.910370 (E_RNA)
where:
Base-Base interactions energy: -459.567
where: short stacking energy: -303.479
Base-Backbone interact. energy: -1.690
local terms energy: -419.653363
where:
bonds (distance) C4'-P energy: -92.254
bonds (distance) P-C4' energy: -90.367
flat angles C4'-P-C4' energy: -92.679
flat angles P-C4'-P energy: -58.526
tors. eta vs tors. theta energy: -85.827
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: 4, replica: 6
=====================================
Write number: 269
Temperature: 1.050000
Total energy: -886.268233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -886.268233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -886.268233 (E_RNA)
where:
Base-Base interactions energy: -472.261
where: short stacking energy: -283.425
Base-Backbone interact. energy: -1.038
local terms energy: -412.968570
where:
bonds (distance) C4'-P energy: -94.562
bonds (distance) P-C4' energy: -86.917
flat angles C4'-P-C4' energy: -87.849
flat angles P-C4'-P energy: -64.947
tors. eta vs tors. theta energy: -78.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 269
Temperature: 1.100000
Total energy: -683.772912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -683.772912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -683.772912 (E_RNA)
where:
Base-Base interactions energy: -351.927
where: short stacking energy: -209.444
Base-Backbone interact. energy: -0.078
local terms energy: -331.767493
where:
bonds (distance) C4'-P energy: -79.956
bonds (distance) P-C4' energy: -92.406
flat angles C4'-P-C4' energy: -78.229
flat angles P-C4'-P energy: -47.547
tors. eta vs tors. theta energy: -33.629
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: 8
=====================================
Write number: 269
Temperature: 1.150000
Total energy: -563.576763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -563.576763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -563.576763 (E_RNA)
where:
Base-Base interactions energy: -249.126
where: short stacking energy: -182.630
Base-Backbone interact. energy: 0.620
local terms energy: -315.071144
where:
bonds (distance) C4'-P energy: -95.991
bonds (distance) P-C4' energy: -87.595
flat angles C4'-P-C4' energy: -77.143
flat angles P-C4'-P energy: -40.938
tors. eta vs tors. theta energy: -13.404
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 269
Temperature: 1.200000
Total energy: -461.200071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -461.200071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -461.200071 (E_RNA)
where:
Base-Base interactions energy: -173.387
where: short stacking energy: -143.429
Base-Backbone interact. energy: -0.937
local terms energy: -286.876226
where:
bonds (distance) C4'-P energy: -88.991
bonds (distance) P-C4' energy: -71.173
flat angles C4'-P-C4' energy: -83.479
flat angles P-C4'-P energy: -40.733
tors. eta vs tors. theta energy: -2.500
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 269
Temperature: 1.250000
Total energy: -419.821881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.821881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.821881 (E_RNA)
where:
Base-Base interactions energy: -155.167
where: short stacking energy: -141.763
Base-Backbone interact. energy: -0.999
local terms energy: -263.655448
where:
bonds (distance) C4'-P energy: -78.933
bonds (distance) P-C4' energy: -68.953
flat angles C4'-P-C4' energy: -69.352
flat angles P-C4'-P energy: -40.244
tors. eta vs tors. theta energy: -6.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 269
Temperature: 1.300000
Total energy: -389.348669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -389.348669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -389.348669 (E_RNA)
where:
Base-Base interactions energy: -119.923
where: short stacking energy: -85.955
Base-Backbone interact. energy: 9.422
local terms energy: -278.848517
where:
bonds (distance) C4'-P energy: -69.800
bonds (distance) P-C4' energy: -80.994
flat angles C4'-P-C4' energy: -81.350
flat angles P-C4'-P energy: -50.013
tors. eta vs tors. theta energy: 3.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 269
Temperature: 1.350000
Total energy: -351.870111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.870111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.870111 (E_RNA)
where:
Base-Base interactions energy: -89.242
where: short stacking energy: -83.187
Base-Backbone interact. energy: -1.326
local terms energy: -261.301459
where:
bonds (distance) C4'-P energy: -81.810
bonds (distance) P-C4' energy: -84.431
flat angles C4'-P-C4' energy: -61.310
flat angles P-C4'-P energy: -48.207
tors. eta vs tors. theta energy: 14.457
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: 270
Temperature: 0.900000
Total energy: -1206.610761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1206.610761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1206.610761 (E_RNA)
where:
Base-Base interactions energy: -723.327
where: short stacking energy: -408.629
Base-Backbone interact. energy: -0.815
local terms energy: -482.468528
where:
bonds (distance) C4'-P energy: -99.305
bonds (distance) P-C4' energy: -93.298
flat angles C4'-P-C4' energy: -96.509
flat angles P-C4'-P energy: -68.185
tors. eta vs tors. theta energy: -125.171
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 270
Temperature: 0.950000
Total energy: -1150.380847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1150.380847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1150.380847 (E_RNA)
where:
Base-Base interactions energy: -688.718
where: short stacking energy: -379.270
Base-Backbone interact. energy: 0.172
local terms energy: -461.834900
where:
bonds (distance) C4'-P energy: -99.298
bonds (distance) P-C4' energy: -100.554
flat angles C4'-P-C4' energy: -89.637
flat angles P-C4'-P energy: -60.180
tors. eta vs tors. theta energy: -112.166
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: 6
=====================================
Write number: 270
Temperature: 1.000000
Total energy: -909.504218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -909.504218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -909.504218 (E_RNA)
where:
Base-Base interactions energy: -492.754
where: short stacking energy: -315.699
Base-Backbone interact. energy: -1.348
local terms energy: -415.402131
where:
bonds (distance) C4'-P energy: -86.605
bonds (distance) P-C4' energy: -94.138
flat angles C4'-P-C4' energy: -86.659
flat angles P-C4'-P energy: -60.606
tors. eta vs tors. theta energy: -87.394
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 270
Temperature: 1.050000
Total energy: -760.074715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -760.074715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -760.074715 (E_RNA)
where:
Base-Base interactions energy: -378.860
where: short stacking energy: -243.676
Base-Backbone interact. energy: 3.080
local terms energy: -384.295043
where:
bonds (distance) C4'-P energy: -86.732
bonds (distance) P-C4' energy: -83.366
flat angles C4'-P-C4' energy: -100.847
flat angles P-C4'-P energy: -55.809
tors. eta vs tors. theta energy: -57.541
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 270
Temperature: 1.100000
Total energy: -687.150874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -687.150874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -687.150874 (E_RNA)
where:
Base-Base interactions energy: -352.672
where: short stacking energy: -215.262
Base-Backbone interact. energy: -1.489
local terms energy: -332.990734
where:
bonds (distance) C4'-P energy: -97.570
bonds (distance) P-C4' energy: -80.799
flat angles C4'-P-C4' energy: -90.673
flat angles P-C4'-P energy: -33.119
tors. eta vs tors. theta energy: -30.830
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 270
Temperature: 1.150000
Total energy: -579.935216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -579.935216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -579.935216 (E_RNA)
where:
Base-Base interactions energy: -248.043
where: short stacking energy: -191.578
Base-Backbone interact. energy: -1.986
local terms energy: -329.905403
where:
bonds (distance) C4'-P energy: -83.998
bonds (distance) P-C4' energy: -84.033
flat angles C4'-P-C4' energy: -83.126
flat angles P-C4'-P energy: -47.452
tors. eta vs tors. theta energy: -31.297
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: 7, replica: 9
=====================================
Write number: 270
Temperature: 1.200000
Total energy: -440.737204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -440.737204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -440.737204 (E_RNA)
where:
Base-Base interactions energy: -147.922
where: short stacking energy: -130.706
Base-Backbone interact. energy: 0.887
local terms energy: -293.703144
where:
bonds (distance) C4'-P energy: -74.193
bonds (distance) P-C4' energy: -85.612
flat angles C4'-P-C4' energy: -79.094
flat angles P-C4'-P energy: -47.958
tors. eta vs tors. theta energy: -6.845
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 270
Temperature: 1.250000
Total energy: -402.221592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -402.221592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -402.221592 (E_RNA)
where:
Base-Base interactions energy: -154.380
where: short stacking energy: -133.842
Base-Backbone interact. energy: -1.722
local terms energy: -246.119710
where:
bonds (distance) C4'-P energy: -72.998
bonds (distance) P-C4' energy: -60.029
flat angles C4'-P-C4' energy: -55.979
flat angles P-C4'-P energy: -54.567
tors. eta vs tors. theta energy: -2.547
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: 3
=====================================
Write number: 270
Temperature: 1.300000
Total energy: -382.241177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -382.241177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -382.241177 (E_RNA)
where:
Base-Base interactions energy: -131.381
where: short stacking energy: -128.861
Base-Backbone interact. energy: -0.255
local terms energy: -250.605246
where:
bonds (distance) C4'-P energy: -83.020
bonds (distance) P-C4' energy: -76.335
flat angles C4'-P-C4' energy: -56.511
flat angles P-C4'-P energy: -33.681
tors. eta vs tors. theta energy: -1.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 270
Temperature: 1.350000
Total energy: -327.526798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.526798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.526798 (E_RNA)
where:
Base-Base interactions energy: -111.328
where: short stacking energy: -93.121
Base-Backbone interact. energy: 5.251
local terms energy: -221.449841
where:
bonds (distance) C4'-P energy: -80.986
bonds (distance) P-C4' energy: -70.808
flat angles C4'-P-C4' energy: -57.570
flat angles P-C4'-P energy: -37.960
tors. eta vs tors. theta energy: 25.873
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 271
Temperature: 0.900000
Total energy: -1196.166981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1196.166981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1196.166981 (E_RNA)
where:
Base-Base interactions energy: -722.205
where: short stacking energy: -429.701
Base-Backbone interact. energy: -0.476
local terms energy: -473.486508
where:
bonds (distance) C4'-P energy: -90.415
bonds (distance) P-C4' energy: -95.328
flat angles C4'-P-C4' energy: -102.940
flat angles P-C4'-P energy: -61.858
tors. eta vs tors. theta energy: -122.946
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: 271
Temperature: 0.950000
Total energy: -1191.725632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1191.725632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1191.725632 (E_RNA)
where:
Base-Base interactions energy: -721.948
where: short stacking energy: -408.751
Base-Backbone interact. energy: 0.909
local terms energy: -470.686693
where:
bonds (distance) C4'-P energy: -85.954
bonds (distance) P-C4' energy: -93.837
flat angles C4'-P-C4' energy: -108.219
flat angles P-C4'-P energy: -64.872
tors. eta vs tors. theta energy: -117.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 271
Temperature: 1.000000
Total energy: -892.660596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -892.660596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -892.660596 (E_RNA)
where:
Base-Base interactions energy: -485.741
where: short stacking energy: -300.639
Base-Backbone interact. energy: -1.057
local terms energy: -405.862906
where:
bonds (distance) C4'-P energy: -93.327
bonds (distance) P-C4' energy: -98.024
flat angles C4'-P-C4' energy: -89.904
flat angles P-C4'-P energy: -49.517
tors. eta vs tors. theta energy: -75.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 271
Temperature: 1.050000
Total energy: -765.700406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -765.700406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -765.700406 (E_RNA)
where:
Base-Base interactions energy: -414.736
where: short stacking energy: -273.127
Base-Backbone interact. energy: -1.001
local terms energy: -349.963541
where:
bonds (distance) C4'-P energy: -68.535
bonds (distance) P-C4' energy: -77.474
flat angles C4'-P-C4' energy: -95.735
flat angles P-C4'-P energy: -52.510
tors. eta vs tors. theta energy: -55.709
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: 2
=====================================
Write number: 271
Temperature: 1.100000
Total energy: -663.815921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -663.815921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -663.815921 (E_RNA)
where:
Base-Base interactions energy: -291.618
where: short stacking energy: -208.693
Base-Backbone interact. energy: -1.163
local terms energy: -371.035116
where:
bonds (distance) C4'-P energy: -83.431
bonds (distance) P-C4' energy: -85.518
flat angles C4'-P-C4' energy: -92.360
flat angles P-C4'-P energy: -64.782
tors. eta vs tors. theta energy: -44.944
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: 8
=====================================
Write number: 271
Temperature: 1.150000
Total energy: -606.604808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -606.604808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -606.604808 (E_RNA)
where:
Base-Base interactions energy: -280.318
where: short stacking energy: -200.164
Base-Backbone interact. energy: -1.593
local terms energy: -324.693064
where:
bonds (distance) C4'-P energy: -68.068
bonds (distance) P-C4' energy: -89.619
flat angles C4'-P-C4' energy: -89.907
flat angles P-C4'-P energy: -52.961
tors. eta vs tors. theta energy: -24.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 271
Temperature: 1.200000
Total energy: -453.906664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -453.906664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -453.906664 (E_RNA)
where:
Base-Base interactions energy: -165.336
where: short stacking energy: -160.582
Base-Backbone interact. energy: -0.042
local terms energy: -288.528705
where:
bonds (distance) C4'-P energy: -81.502
bonds (distance) P-C4' energy: -87.209
flat angles C4'-P-C4' energy: -69.877
flat angles P-C4'-P energy: -41.525
tors. eta vs tors. theta energy: -8.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 271
Temperature: 1.250000
Total energy: -438.114824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -438.114824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -438.114824 (E_RNA)
where:
Base-Base interactions energy: -148.342
where: short stacking energy: -135.818
Base-Backbone interact. energy: -0.239
local terms energy: -289.534011
where:
bonds (distance) C4'-P energy: -75.967
bonds (distance) P-C4' energy: -99.022
flat angles C4'-P-C4' energy: -69.496
flat angles P-C4'-P energy: -39.031
tors. eta vs tors. theta energy: -6.019
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: 3
=====================================
Write number: 271
Temperature: 1.300000
Total energy: -377.750191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -377.750191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -377.750191 (E_RNA)
where:
Base-Base interactions energy: -130.554
where: short stacking energy: -122.557
Base-Backbone interact. energy: -0.666
local terms energy: -246.529938
where:
bonds (distance) C4'-P energy: -73.696
bonds (distance) P-C4' energy: -75.436
flat angles C4'-P-C4' energy: -70.462
flat angles P-C4'-P energy: -31.712
tors. eta vs tors. theta energy: 4.777
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 271
Temperature: 1.350000
Total energy: -344.663234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.663234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.663234 (E_RNA)
where:
Base-Base interactions energy: -113.402
where: short stacking energy: -96.173
Base-Backbone interact. energy: -3.078
local terms energy: -228.183959
where:
bonds (distance) C4'-P energy: -76.745
bonds (distance) P-C4' energy: -76.452
flat angles C4'-P-C4' energy: -66.755
flat angles P-C4'-P energy: -39.694
tors. eta vs tors. theta energy: 31.462
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: 1
=====================================
Write number: 272
Temperature: 0.900000
Total energy: -1260.513101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1260.513101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1260.513101 (E_RNA)
where:
Base-Base interactions energy: -787.036
where: short stacking energy: -447.837
Base-Backbone interact. energy: -1.470
local terms energy: -472.007384
where:
bonds (distance) C4'-P energy: -83.004
bonds (distance) P-C4' energy: -97.087
flat angles C4'-P-C4' energy: -93.410
flat angles P-C4'-P energy: -64.123
tors. eta vs tors. theta energy: -134.384
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: 2, replica: 4
=====================================
Write number: 272
Temperature: 0.950000
Total energy: -1146.567757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1146.567757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1146.567757 (E_RNA)
where:
Base-Base interactions energy: -673.587
where: short stacking energy: -392.724
Base-Backbone interact. energy: -0.903
local terms energy: -472.078111
where:
bonds (distance) C4'-P energy: -86.334
bonds (distance) P-C4' energy: -99.950
flat angles C4'-P-C4' energy: -104.099
flat angles P-C4'-P energy: -60.096
tors. eta vs tors. theta energy: -121.598
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: 6
=====================================
Write number: 272
Temperature: 1.000000
Total energy: -924.077406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -924.077406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -924.077406 (E_RNA)
where:
Base-Base interactions energy: -528.841
where: short stacking energy: -326.941
Base-Backbone interact. energy: 0.420
local terms energy: -395.656263
where:
bonds (distance) C4'-P energy: -86.590
bonds (distance) P-C4' energy: -79.759
flat angles C4'-P-C4' energy: -85.577
flat angles P-C4'-P energy: -61.770
tors. eta vs tors. theta energy: -81.960
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: 7
=====================================
Write number: 272
Temperature: 1.050000
Total energy: -813.514650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -813.514650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -813.514650 (E_RNA)
where:
Base-Base interactions energy: -412.021
where: short stacking energy: -282.475
Base-Backbone interact. energy: -1.484
local terms energy: -400.009952
where:
bonds (distance) C4'-P energy: -87.955
bonds (distance) P-C4' energy: -85.186
flat angles C4'-P-C4' energy: -95.043
flat angles P-C4'-P energy: -57.752
tors. eta vs tors. theta energy: -74.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 272
Temperature: 1.100000
Total energy: -646.728204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -646.728204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -646.728204 (E_RNA)
where:
Base-Base interactions energy: -326.954
where: short stacking energy: -236.944
Base-Backbone interact. energy: 3.143
local terms energy: -322.916450
where:
bonds (distance) C4'-P energy: -76.771
bonds (distance) P-C4' energy: -84.146
flat angles C4'-P-C4' energy: -72.450
flat angles P-C4'-P energy: -55.028
tors. eta vs tors. theta energy: -34.521
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: 2
=====================================
Write number: 272
Temperature: 1.150000
Total energy: -571.899905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -571.899905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -571.899905 (E_RNA)
where:
Base-Base interactions energy: -245.333
where: short stacking energy: -180.779
Base-Backbone interact. energy: -0.147
local terms energy: -326.419352
where:
bonds (distance) C4'-P energy: -90.575
bonds (distance) P-C4' energy: -97.644
flat angles C4'-P-C4' energy: -68.673
flat angles P-C4'-P energy: -48.340
tors. eta vs tors. theta energy: -21.188
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 272
Temperature: 1.200000
Total energy: -430.005474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -430.005474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -430.005474 (E_RNA)
where:
Base-Base interactions energy: -148.527
where: short stacking energy: -137.904
Base-Backbone interact. energy: -0.720
local terms energy: -280.758654
where:
bonds (distance) C4'-P energy: -76.075
bonds (distance) P-C4' energy: -76.300
flat angles C4'-P-C4' energy: -77.955
flat angles P-C4'-P energy: -47.800
tors. eta vs tors. theta energy: -2.628
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 272
Temperature: 1.250000
Total energy: -421.492880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.492880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -421.492880 (E_RNA)
where:
Base-Base interactions energy: -138.709
where: short stacking energy: -132.330
Base-Backbone interact. energy: -0.343
local terms energy: -282.440975
where:
bonds (distance) C4'-P energy: -72.773
bonds (distance) P-C4' energy: -76.393
flat angles C4'-P-C4' energy: -74.543
flat angles P-C4'-P energy: -43.267
tors. eta vs tors. theta energy: -15.465
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 272
Temperature: 1.300000
Total energy: -393.717641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.717641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -393.717641 (E_RNA)
where:
Base-Base interactions energy: -153.251
where: short stacking energy: -143.806
Base-Backbone interact. energy: 0.580
local terms energy: -241.045998
where:
bonds (distance) C4'-P energy: -72.498
bonds (distance) P-C4' energy: -86.129
flat angles C4'-P-C4' energy: -51.217
flat angles P-C4'-P energy: -44.445
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: 10, replica: 3
=====================================
Write number: 272
Temperature: 1.350000
Total energy: -358.134155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.134155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.134155 (E_RNA)
where:
Base-Base interactions energy: -105.448
where: short stacking energy: -92.283
Base-Backbone interact. energy: 4.219
local terms energy: -256.905378
where:
bonds (distance) C4'-P energy: -80.291
bonds (distance) P-C4' energy: -87.312
flat angles C4'-P-C4' energy: -71.222
flat angles P-C4'-P energy: -42.370
tors. eta vs tors. theta energy: 24.289
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: 1, replica: 1
=====================================
Write number: 273
Temperature: 0.900000
Total energy: -1259.999025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1259.999025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1259.999025 (E_RNA)
where:
Base-Base interactions energy: -774.665
where: short stacking energy: -416.960
Base-Backbone interact. energy: -0.163
local terms energy: -485.171234
where:
bonds (distance) C4'-P energy: -100.326
bonds (distance) P-C4' energy: -88.140
flat angles C4'-P-C4' energy: -103.893
flat angles P-C4'-P energy: -71.922
tors. eta vs tors. theta energy: -120.890
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 273
Temperature: 0.950000
Total energy: -1122.093753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1122.093753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1122.093753 (E_RNA)
where:
Base-Base interactions energy: -673.507
where: short stacking energy: -374.715
Base-Backbone interact. energy: 0.845
local terms energy: -449.430904
where:
bonds (distance) C4'-P energy: -83.826
bonds (distance) P-C4' energy: -84.512
flat angles C4'-P-C4' energy: -97.851
flat angles P-C4'-P energy: -65.456
tors. eta vs tors. theta energy: -117.786
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 273
Temperature: 1.000000
Total energy: -946.626456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -946.626456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -946.626456 (E_RNA)
where:
Base-Base interactions energy: -542.379
where: short stacking energy: -323.914
Base-Backbone interact. energy: -0.816
local terms energy: -403.431290
where:
bonds (distance) C4'-P energy: -75.921
bonds (distance) P-C4' energy: -88.504
flat angles C4'-P-C4' energy: -87.762
flat angles P-C4'-P energy: -62.450
tors. eta vs tors. theta energy: -88.793
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: 7
=====================================
Write number: 273
Temperature: 1.050000
Total energy: -823.715759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -823.715759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -823.715759 (E_RNA)
where:
Base-Base interactions energy: -409.367
where: short stacking energy: -283.417
Base-Backbone interact. energy: -0.003
local terms energy: -414.345707
where:
bonds (distance) C4'-P energy: -89.589
bonds (distance) P-C4' energy: -89.934
flat angles C4'-P-C4' energy: -92.010
flat angles P-C4'-P energy: -74.138
tors. eta vs tors. theta energy: -68.674
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: 5, replica: 8
=====================================
Write number: 273
Temperature: 1.100000
Total energy: -637.294098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -637.294098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -637.294098 (E_RNA)
where:
Base-Base interactions energy: -303.234
where: short stacking energy: -202.273
Base-Backbone interact. energy: 1.753
local terms energy: -335.812745
where:
bonds (distance) C4'-P energy: -86.514
bonds (distance) P-C4' energy: -92.147
flat angles C4'-P-C4' energy: -74.228
flat angles P-C4'-P energy: -54.351
tors. eta vs tors. theta energy: -28.573
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 273
Temperature: 1.150000
Total energy: -566.894960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -566.894960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -566.894960 (E_RNA)
where:
Base-Base interactions energy: -250.733
where: short stacking energy: -178.081
Base-Backbone interact. energy: 0.026
local terms energy: -316.188244
where:
bonds (distance) C4'-P energy: -86.937
bonds (distance) P-C4' energy: -87.882
flat angles C4'-P-C4' energy: -80.832
flat angles P-C4'-P energy: -45.787
tors. eta vs tors. theta energy: -14.750
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 273
Temperature: 1.200000
Total energy: -464.940069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -464.940069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -464.940069 (E_RNA)
where:
Base-Base interactions energy: -159.174
where: short stacking energy: -153.239
Base-Backbone interact. energy: 1.024
local terms energy: -306.789490
where:
bonds (distance) C4'-P energy: -87.811
bonds (distance) P-C4' energy: -80.457
flat angles C4'-P-C4' energy: -68.323
flat angles P-C4'-P energy: -45.327
tors. eta vs tors. theta energy: -24.871
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: 5
=====================================
Write number: 273
Temperature: 1.250000
Total energy: -448.394645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -448.394645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -448.394645 (E_RNA)
where:
Base-Base interactions energy: -173.387
where: short stacking energy: -118.582
Base-Backbone interact. energy: 1.622
local terms energy: -276.629825
where:
bonds (distance) C4'-P energy: -87.040
bonds (distance) P-C4' energy: -77.306
flat angles C4'-P-C4' energy: -80.703
flat angles P-C4'-P energy: -40.669
tors. eta vs tors. theta energy: 9.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 273
Temperature: 1.300000
Total energy: -364.140006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.140006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.140006 (E_RNA)
where:
Base-Base interactions energy: -120.835
where: short stacking energy: -101.029
Base-Backbone interact. energy: -4.038
local terms energy: -239.266476
where:
bonds (distance) C4'-P energy: -66.135
bonds (distance) P-C4' energy: -76.093
flat angles C4'-P-C4' energy: -71.838
flat angles P-C4'-P energy: -53.237
tors. eta vs tors. theta energy: 28.036
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 273
Temperature: 1.350000
Total energy: -356.698781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.698781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.698781 (E_RNA)
where:
Base-Base interactions energy: -119.231
where: short stacking energy: -97.127
Base-Backbone interact. energy: -1.105
local terms energy: -236.362829
where:
bonds (distance) C4'-P energy: -65.308
bonds (distance) P-C4' energy: -72.710
flat angles C4'-P-C4' energy: -65.518
flat angles P-C4'-P energy: -47.173
tors. eta vs tors. theta energy: 14.345
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: 1
=====================================
Write number: 274
Temperature: 0.900000
Total energy: -1273.936498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1273.936498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1273.936498 (E_RNA)
where:
Base-Base interactions energy: -782.578
where: short stacking energy: -417.771
Base-Backbone interact. energy: -2.118
local terms energy: -489.240148
where:
bonds (distance) C4'-P energy: -98.971
bonds (distance) P-C4' energy: -98.523
flat angles C4'-P-C4' energy: -102.303
flat angles P-C4'-P energy: -68.814
tors. eta vs tors. theta energy: -120.629
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: 4
=====================================
Write number: 274
Temperature: 0.950000
Total energy: -1209.103031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1209.103031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1209.103031 (E_RNA)
where:
Base-Base interactions energy: -751.740
where: short stacking energy: -428.401
Base-Backbone interact. energy: -1.198
local terms energy: -456.164783
where:
bonds (distance) C4'-P energy: -75.909
bonds (distance) P-C4' energy: -88.486
flat angles C4'-P-C4' energy: -98.150
flat angles P-C4'-P energy: -59.414
tors. eta vs tors. theta energy: -134.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 274
Temperature: 1.000000
Total energy: -915.242250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -915.242250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -915.242250 (E_RNA)
where:
Base-Base interactions energy: -515.354
where: short stacking energy: -332.588
Base-Backbone interact. energy: 2.605
local terms energy: -402.493373
where:
bonds (distance) C4'-P energy: -77.128
bonds (distance) P-C4' energy: -83.575
flat angles C4'-P-C4' energy: -92.550
flat angles P-C4'-P energy: -62.590
tors. eta vs tors. theta energy: -86.651
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: 4, replica: 7
=====================================
Write number: 274
Temperature: 1.050000
Total energy: -794.866778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -794.866778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -794.866778 (E_RNA)
where:
Base-Base interactions energy: -395.510
where: short stacking energy: -293.481
Base-Backbone interact. energy: -0.530
local terms energy: -398.827269
where:
bonds (distance) C4'-P energy: -85.887
bonds (distance) P-C4' energy: -81.537
flat angles C4'-P-C4' energy: -92.786
flat angles P-C4'-P energy: -60.048
tors. eta vs tors. theta energy: -78.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 274
Temperature: 1.100000
Total energy: -688.168316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -688.168316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -688.168316 (E_RNA)
where:
Base-Base interactions energy: -328.498
where: short stacking energy: -219.687
Base-Backbone interact. energy: 2.921
local terms energy: -362.591441
where:
bonds (distance) C4'-P energy: -97.515
bonds (distance) P-C4' energy: -85.532
flat angles C4'-P-C4' energy: -76.631
flat angles P-C4'-P energy: -63.126
tors. eta vs tors. theta energy: -39.788
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 274
Temperature: 1.150000
Total energy: -575.935441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -575.935441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -575.935441 (E_RNA)
where:
Base-Base interactions energy: -238.348
where: short stacking energy: -179.697
Base-Backbone interact. energy: 0.542
local terms energy: -338.129046
where:
bonds (distance) C4'-P energy: -93.948
bonds (distance) P-C4' energy: -91.793
flat angles C4'-P-C4' energy: -86.220
flat angles P-C4'-P energy: -40.152
tors. eta vs tors. theta energy: -26.016
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: 5
=====================================
Write number: 274
Temperature: 1.200000
Total energy: -433.918225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -433.918225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -433.918225 (E_RNA)
where:
Base-Base interactions energy: -145.821
where: short stacking energy: -129.586
Base-Backbone interact. energy: 2.323
local terms energy: -290.420754
where:
bonds (distance) C4'-P energy: -80.930
bonds (distance) P-C4' energy: -86.829
flat angles C4'-P-C4' energy: -69.263
flat angles P-C4'-P energy: -46.047
tors. eta vs tors. theta energy: -7.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 274
Temperature: 1.250000
Total energy: -427.087483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -427.087483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -427.087483 (E_RNA)
where:
Base-Base interactions energy: -181.396
where: short stacking energy: -125.613
Base-Backbone interact. energy: -2.340
local terms energy: -243.351647
where:
bonds (distance) C4'-P energy: -80.783
bonds (distance) P-C4' energy: -73.078
flat angles C4'-P-C4' energy: -66.435
flat angles P-C4'-P energy: -42.958
tors. eta vs tors. theta energy: 19.903
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: 3
=====================================
Write number: 274
Temperature: 1.300000
Total energy: -375.513525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -375.513525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -375.513525 (E_RNA)
where:
Base-Base interactions energy: -109.057
where: short stacking energy: -95.291
Base-Backbone interact. energy: -1.710
local terms energy: -264.746548
where:
bonds (distance) C4'-P energy: -66.861
bonds (distance) P-C4' energy: -73.015
flat angles C4'-P-C4' energy: -74.671
flat angles P-C4'-P energy: -56.308
tors. eta vs tors. theta energy: 6.109
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 274
Temperature: 1.350000
Total energy: -367.013359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.013359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.013359 (E_RNA)
where:
Base-Base interactions energy: -121.971
where: short stacking energy: -111.120
Base-Backbone interact. energy: 1.607
local terms energy: -246.648794
where:
bonds (distance) C4'-P energy: -74.677
bonds (distance) P-C4' energy: -74.965
flat angles C4'-P-C4' energy: -70.988
flat angles P-C4'-P energy: -41.172
tors. eta vs tors. theta energy: 15.153
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: 1, replica: 1
=====================================
Write number: 275
Temperature: 0.900000
Total energy: -1231.085248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1231.085248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1231.085248 (E_RNA)
where:
Base-Base interactions energy: -759.925
where: short stacking energy: -414.112
Base-Backbone interact. energy: -3.287
local terms energy: -467.872917
where:
bonds (distance) C4'-P energy: -90.357
bonds (distance) P-C4' energy: -88.082
flat angles C4'-P-C4' energy: -107.256
flat angles P-C4'-P energy: -71.964
tors. eta vs tors. theta energy: -110.213
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: 4
=====================================
Write number: 275
Temperature: 0.950000
Total energy: -1182.167851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1182.167851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1182.167851 (E_RNA)
where:
Base-Base interactions energy: -705.787
where: short stacking energy: -401.891
Base-Backbone interact. energy: 0.129
local terms energy: -476.509274
where:
bonds (distance) C4'-P energy: -82.798
bonds (distance) P-C4' energy: -96.107
flat angles C4'-P-C4' energy: -102.556
flat angles P-C4'-P energy: -63.621
tors. eta vs tors. theta energy: -131.427
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 275
Temperature: 1.000000
Total energy: -912.968422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -912.968422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -912.968422 (E_RNA)
where:
Base-Base interactions energy: -494.814
where: short stacking energy: -316.477
Base-Backbone interact. energy: 0.434
local terms energy: -418.588605
where:
bonds (distance) C4'-P energy: -81.138
bonds (distance) P-C4' energy: -87.644
flat angles C4'-P-C4' energy: -95.000
flat angles P-C4'-P energy: -69.630
tors. eta vs tors. theta energy: -85.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 275
Temperature: 1.050000
Total energy: -757.358378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -757.358378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -757.358378 (E_RNA)
where:
Base-Base interactions energy: -378.537
where: short stacking energy: -260.067
Base-Backbone interact. energy: 0.018
local terms energy: -378.838591
where:
bonds (distance) C4'-P energy: -84.520
bonds (distance) P-C4' energy: -87.838
flat angles C4'-P-C4' energy: -89.414
flat angles P-C4'-P energy: -53.850
tors. eta vs tors. theta energy: -63.217
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: 8
=====================================
Write number: 275
Temperature: 1.100000
Total energy: -692.656741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -692.656741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -692.656741 (E_RNA)
where:
Base-Base interactions energy: -327.162
where: short stacking energy: -221.903
Base-Backbone interact. energy: -1.134
local terms energy: -364.361129
where:
bonds (distance) C4'-P energy: -78.755
bonds (distance) P-C4' energy: -88.901
flat angles C4'-P-C4' energy: -89.944
flat angles P-C4'-P energy: -54.773
tors. eta vs tors. theta energy: -51.989
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 275
Temperature: 1.150000
Total energy: -600.182845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -600.182845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -600.182845 (E_RNA)
where:
Base-Base interactions energy: -258.163
where: short stacking energy: -194.877
Base-Backbone interact. energy: 1.107
local terms energy: -343.126636
where:
bonds (distance) C4'-P energy: -79.139
bonds (distance) P-C4' energy: -99.959
flat angles C4'-P-C4' energy: -75.411
flat angles P-C4'-P energy: -47.320
tors. eta vs tors. theta energy: -41.298
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: 5
=====================================
Write number: 275
Temperature: 1.200000
Total energy: -469.861040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -469.861040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -469.861040 (E_RNA)
where:
Base-Base interactions energy: -164.145
where: short stacking energy: -125.926
Base-Backbone interact. energy: -0.237
local terms energy: -305.478649
where:
bonds (distance) C4'-P energy: -90.330
bonds (distance) P-C4' energy: -85.008
flat angles C4'-P-C4' energy: -80.033
flat angles P-C4'-P energy: -56.572
tors. eta vs tors. theta energy: 6.465
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 275
Temperature: 1.250000
Total energy: -416.591048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.591048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.591048 (E_RNA)
where:
Base-Base interactions energy: -152.619
where: short stacking energy: -133.335
Base-Backbone interact. energy: 1.441
local terms energy: -265.412928
where:
bonds (distance) C4'-P energy: -59.477
bonds (distance) P-C4' energy: -84.087
flat angles C4'-P-C4' energy: -75.411
flat angles P-C4'-P energy: -43.987
tors. eta vs tors. theta energy: -2.451
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 275
Temperature: 1.300000
Total energy: -377.640682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -377.640682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -377.640682 (E_RNA)
where:
Base-Base interactions energy: -104.280
where: short stacking energy: -99.207
Base-Backbone interact. energy: 0.876
local terms energy: -274.236236
where:
bonds (distance) C4'-P energy: -63.820
bonds (distance) P-C4' energy: -85.146
flat angles C4'-P-C4' energy: -88.305
flat angles P-C4'-P energy: -41.422
tors. eta vs tors. theta energy: 4.456
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 275
Temperature: 1.350000
Total energy: -348.709243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.709243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.709243 (E_RNA)
where:
Base-Base interactions energy: -108.420
where: short stacking energy: -99.592
Base-Backbone interact. energy: 2.168
local terms energy: -242.457588
where:
bonds (distance) C4'-P energy: -59.694
bonds (distance) P-C4' energy: -69.011
flat angles C4'-P-C4' energy: -75.459
flat angles P-C4'-P energy: -38.196
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: 1, replica: 1
=====================================
Write number: 276
Temperature: 0.900000
Total energy: -1250.472182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1250.472182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1250.472182 (E_RNA)
where:
Base-Base interactions energy: -766.062
where: short stacking energy: -393.728
Base-Backbone interact. energy: -0.495
local terms energy: -483.915619
where:
bonds (distance) C4'-P energy: -90.304
bonds (distance) P-C4' energy: -94.489
flat angles C4'-P-C4' energy: -101.068
flat angles P-C4'-P energy: -74.368
tors. eta vs tors. theta energy: -123.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 276
Temperature: 0.950000
Total energy: -1196.964157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1196.964157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1196.964157 (E_RNA)
where:
Base-Base interactions energy: -726.236
where: short stacking energy: -426.117
Base-Backbone interact. energy: -1.595
local terms energy: -469.133462
where:
bonds (distance) C4'-P energy: -93.067
bonds (distance) P-C4' energy: -86.926
flat angles C4'-P-C4' energy: -99.723
flat angles P-C4'-P energy: -65.438
tors. eta vs tors. theta energy: -123.980
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 276
Temperature: 1.000000
Total energy: -946.894648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -946.894648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -946.894648 (E_RNA)
where:
Base-Base interactions energy: -534.356
where: short stacking energy: -317.493
Base-Backbone interact. energy: -2.086
local terms energy: -410.452696
where:
bonds (distance) C4'-P energy: -76.972
bonds (distance) P-C4' energy: -89.337
flat angles C4'-P-C4' energy: -91.300
flat angles P-C4'-P energy: -64.025
tors. eta vs tors. theta energy: -88.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 276
Temperature: 1.050000
Total energy: -775.569098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -775.569098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -775.569098 (E_RNA)
where:
Base-Base interactions energy: -403.326
where: short stacking energy: -262.027
Base-Backbone interact. energy: -0.086
local terms energy: -372.157578
where:
bonds (distance) C4'-P energy: -86.129
bonds (distance) P-C4' energy: -89.649
flat angles C4'-P-C4' energy: -93.779
flat angles P-C4'-P energy: -50.285
tors. eta vs tors. theta energy: -52.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 276
Temperature: 1.100000
Total energy: -666.999395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -666.999395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -666.999395 (E_RNA)
where:
Base-Base interactions energy: -331.247
where: short stacking energy: -228.444
Base-Backbone interact. energy: -1.460
local terms energy: -334.292665
where:
bonds (distance) C4'-P energy: -76.308
bonds (distance) P-C4' energy: -91.400
flat angles C4'-P-C4' energy: -71.684
flat angles P-C4'-P energy: -48.223
tors. eta vs tors. theta energy: -46.678
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 276
Temperature: 1.150000
Total energy: -588.351328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -588.351328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -588.351328 (E_RNA)
where:
Base-Base interactions energy: -265.866
where: short stacking energy: -187.127
Base-Backbone interact. energy: -0.390
local terms energy: -322.095666
where:
bonds (distance) C4'-P energy: -82.485
bonds (distance) P-C4' energy: -87.672
flat angles C4'-P-C4' energy: -95.714
flat angles P-C4'-P energy: -37.198
tors. eta vs tors. theta energy: -19.027
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: 5
=====================================
Write number: 276
Temperature: 1.200000
Total energy: -478.827871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.827871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -478.827871 (E_RNA)
where:
Base-Base interactions energy: -186.303
where: short stacking energy: -152.540
Base-Backbone interact. energy: -0.841
local terms energy: -291.683608
where:
bonds (distance) C4'-P energy: -76.233
bonds (distance) P-C4' energy: -83.193
flat angles C4'-P-C4' energy: -64.548
flat angles P-C4'-P energy: -47.471
tors. eta vs tors. theta energy: -20.239
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 276
Temperature: 1.250000
Total energy: -392.706085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.706085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -392.706085 (E_RNA)
where:
Base-Base interactions energy: -132.231
where: short stacking energy: -122.049
Base-Backbone interact. energy: -0.241
local terms energy: -260.234582
where:
bonds (distance) C4'-P energy: -84.339
bonds (distance) P-C4' energy: -79.920
flat angles C4'-P-C4' energy: -58.024
flat angles P-C4'-P energy: -41.973
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: 10
=====================================
Write number: 276
Temperature: 1.300000
Total energy: -402.096696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -402.096696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -402.096696 (E_RNA)
where:
Base-Base interactions energy: -137.819
where: short stacking energy: -136.585
Base-Backbone interact. energy: 2.409
local terms energy: -266.687030
where:
bonds (distance) C4'-P energy: -77.609
bonds (distance) P-C4' energy: -82.059
flat angles C4'-P-C4' energy: -64.257
flat angles P-C4'-P energy: -32.811
tors. eta vs tors. theta energy: -9.952
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 276
Temperature: 1.350000
Total energy: -356.375879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.375879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.375879 (E_RNA)
where:
Base-Base interactions energy: -112.705
where: short stacking energy: -106.717
Base-Backbone interact. energy: -0.459
local terms energy: -243.212602
where:
bonds (distance) C4'-P energy: -85.653
bonds (distance) P-C4' energy: -70.947
flat angles C4'-P-C4' energy: -81.251
flat angles P-C4'-P energy: -15.790
tors. eta vs tors. theta energy: 10.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 277
Temperature: 0.900000
Total energy: -1223.071596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1223.071596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1223.071596 (E_RNA)
where:
Base-Base interactions energy: -747.247
where: short stacking energy: -408.695
Base-Backbone interact. energy: -2.511
local terms energy: -473.313164
where:
bonds (distance) C4'-P energy: -88.416
bonds (distance) P-C4' energy: -99.195
flat angles C4'-P-C4' energy: -99.844
flat angles P-C4'-P energy: -63.968
tors. eta vs tors. theta energy: -121.890
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 277
Temperature: 0.950000
Total energy: -1163.552674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1163.552674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1163.552674 (E_RNA)
where:
Base-Base interactions energy: -690.765
where: short stacking energy: -394.938
Base-Backbone interact. energy: 0.271
local terms energy: -473.058529
where:
bonds (distance) C4'-P energy: -92.090
bonds (distance) P-C4' energy: -88.108
flat angles C4'-P-C4' energy: -106.156
flat angles P-C4'-P energy: -59.181
tors. eta vs tors. theta energy: -127.524
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: 6
=====================================
Write number: 277
Temperature: 1.000000
Total energy: -925.715641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -925.715641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -925.715641 (E_RNA)
where:
Base-Base interactions energy: -510.054
where: short stacking energy: -342.968
Base-Backbone interact. energy: -0.504
local terms energy: -415.157789
where:
bonds (distance) C4'-P energy: -82.703
bonds (distance) P-C4' energy: -84.702
flat angles C4'-P-C4' energy: -106.685
flat angles P-C4'-P energy: -51.426
tors. eta vs tors. theta energy: -89.642
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: 7
=====================================
Write number: 277
Temperature: 1.050000
Total energy: -770.141147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -770.141147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -770.141147 (E_RNA)
where:
Base-Base interactions energy: -389.444
where: short stacking energy: -272.157
Base-Backbone interact. energy: -1.720
local terms energy: -378.976893
where:
bonds (distance) C4'-P energy: -85.180
bonds (distance) P-C4' energy: -87.900
flat angles C4'-P-C4' energy: -87.180
flat angles P-C4'-P energy: -63.394
tors. eta vs tors. theta energy: -55.323
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: 8
=====================================
Write number: 277
Temperature: 1.100000
Total energy: -606.386015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -606.386015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -606.386015 (E_RNA)
where:
Base-Base interactions energy: -274.886
where: short stacking energy: -194.905
Base-Backbone interact. energy: 3.786
local terms energy: -335.285689
where:
bonds (distance) C4'-P energy: -89.800
bonds (distance) P-C4' energy: -97.852
flat angles C4'-P-C4' energy: -78.171
flat angles P-C4'-P energy: -51.543
tors. eta vs tors. theta energy: -17.920
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: 2
=====================================
Write number: 277
Temperature: 1.150000
Total energy: -556.209223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.209223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -556.209223 (E_RNA)
where:
Base-Base interactions energy: -247.315
where: short stacking energy: -199.243
Base-Backbone interact. energy: -0.824
local terms energy: -308.070378
where:
bonds (distance) C4'-P energy: -74.490
bonds (distance) P-C4' energy: -89.414
flat angles C4'-P-C4' energy: -68.922
flat angles P-C4'-P energy: -47.239
tors. eta vs tors. theta energy: -28.004
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: 7, replica: 5
=====================================
Write number: 277
Temperature: 1.200000
Total energy: -437.419693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -437.419693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -437.419693 (E_RNA)
where:
Base-Base interactions energy: -160.499
where: short stacking energy: -154.127
Base-Backbone interact. energy: 0.663
local terms energy: -277.583123
where:
bonds (distance) C4'-P energy: -62.398
bonds (distance) P-C4' energy: -85.374
flat angles C4'-P-C4' energy: -78.674
flat angles P-C4'-P energy: -47.683
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: 10
=====================================
Write number: 277
Temperature: 1.250000
Total energy: -434.228348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -434.228348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -434.228348 (E_RNA)
where:
Base-Base interactions energy: -157.912
where: short stacking energy: -136.862
Base-Backbone interact. energy: -1.047
local terms energy: -275.268918
where:
bonds (distance) C4'-P energy: -69.297
bonds (distance) P-C4' energy: -75.298
flat angles C4'-P-C4' energy: -72.881
flat angles P-C4'-P energy: -48.322
tors. eta vs tors. theta energy: -9.471
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: 9
=====================================
Write number: 277
Temperature: 1.300000
Total energy: -381.367913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -381.367913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -381.367913 (E_RNA)
where:
Base-Base interactions energy: -138.407
where: short stacking energy: -125.903
Base-Backbone interact. energy: 6.639
local terms energy: -249.599736
where:
bonds (distance) C4'-P energy: -78.963
bonds (distance) P-C4' energy: -75.159
flat angles C4'-P-C4' energy: -66.086
flat angles P-C4'-P energy: -40.463
tors. eta vs tors. theta energy: 11.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 277
Temperature: 1.350000
Total energy: -358.198676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.198676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.198676 (E_RNA)
where:
Base-Base interactions energy: -121.756
where: short stacking energy: -105.925
Base-Backbone interact. energy: -0.920
local terms energy: -235.522524
where:
bonds (distance) C4'-P energy: -65.772
bonds (distance) P-C4' energy: -85.364
flat angles C4'-P-C4' energy: -70.088
flat angles P-C4'-P energy: -29.138
tors. eta vs tors. theta energy: 14.841
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: 1
=====================================
Write number: 278
Temperature: 0.900000
Total energy: -1235.964850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1235.964850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1235.964850 (E_RNA)
where:
Base-Base interactions energy: -745.505
where: short stacking energy: -425.672
Base-Backbone interact. energy: -2.825
local terms energy: -487.634741
where:
bonds (distance) C4'-P energy: -80.149
bonds (distance) P-C4' energy: -96.642
flat angles C4'-P-C4' energy: -107.002
flat angles P-C4'-P energy: -76.429
tors. eta vs tors. theta energy: -127.412
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: 278
Temperature: 0.950000
Total energy: -1146.754750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1146.754750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1146.754750 (E_RNA)
where:
Base-Base interactions energy: -680.629
where: short stacking energy: -396.768
Base-Backbone interact. energy: -2.066
local terms energy: -464.059258
where:
bonds (distance) C4'-P energy: -80.122
bonds (distance) P-C4' energy: -86.325
flat angles C4'-P-C4' energy: -107.188
flat angles P-C4'-P energy: -69.064
tors. eta vs tors. theta energy: -121.360
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 278
Temperature: 1.000000
Total energy: -922.200254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -922.200254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -922.200254 (E_RNA)
where:
Base-Base interactions energy: -490.345
where: short stacking energy: -299.411
Base-Backbone interact. energy: -0.059
local terms energy: -431.796229
where:
bonds (distance) C4'-P energy: -87.016
bonds (distance) P-C4' energy: -94.597
flat angles C4'-P-C4' energy: -105.441
flat angles P-C4'-P energy: -59.315
tors. eta vs tors. theta energy: -85.428
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 278
Temperature: 1.050000
Total energy: -774.355175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -774.355175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -774.355175 (E_RNA)
where:
Base-Base interactions energy: -362.290
where: short stacking energy: -253.092
Base-Backbone interact. energy: -0.892
local terms energy: -411.173605
where:
bonds (distance) C4'-P energy: -92.704
bonds (distance) P-C4' energy: -89.423
flat angles C4'-P-C4' energy: -101.612
flat angles P-C4'-P energy: -65.326
tors. eta vs tors. theta energy: -62.109
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: 8
=====================================
Write number: 278
Temperature: 1.100000
Total energy: -596.142834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -596.142834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -596.142834 (E_RNA)
where:
Base-Base interactions energy: -272.540
where: short stacking energy: -209.398
Base-Backbone interact. energy: -0.584
local terms energy: -323.018561
where:
bonds (distance) C4'-P energy: -75.761
bonds (distance) P-C4' energy: -83.956
flat angles C4'-P-C4' energy: -74.186
flat angles P-C4'-P energy: -49.143
tors. eta vs tors. theta energy: -39.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 278
Temperature: 1.150000
Total energy: -553.407843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -553.407843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -553.407843 (E_RNA)
where:
Base-Base interactions energy: -248.921
where: short stacking energy: -190.414
Base-Backbone interact. energy: -1.097
local terms energy: -303.390190
where:
bonds (distance) C4'-P energy: -74.802
bonds (distance) P-C4' energy: -75.445
flat angles C4'-P-C4' energy: -68.439
flat angles P-C4'-P energy: -44.181
tors. eta vs tors. theta energy: -40.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 278
Temperature: 1.200000
Total energy: -452.013407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -452.013407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -452.013407 (E_RNA)
where:
Base-Base interactions energy: -144.427
where: short stacking energy: -138.313
Base-Backbone interact. energy: -0.451
local terms energy: -307.135288
where:
bonds (distance) C4'-P energy: -85.135
bonds (distance) P-C4' energy: -82.715
flat angles C4'-P-C4' energy: -82.209
flat angles P-C4'-P energy: -51.344
tors. eta vs tors. theta energy: -5.732
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 278
Temperature: 1.250000
Total energy: -455.568260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -455.568260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -455.568260 (E_RNA)
where:
Base-Base interactions energy: -181.426
where: short stacking energy: -149.724
Base-Backbone interact. energy: -0.673
local terms energy: -273.469010
where:
bonds (distance) C4'-P energy: -82.592
bonds (distance) P-C4' energy: -84.611
flat angles C4'-P-C4' energy: -74.378
flat angles P-C4'-P energy: -26.981
tors. eta vs tors. theta energy: -4.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 278
Temperature: 1.300000
Total energy: -410.295335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.295335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -410.295335 (E_RNA)
where:
Base-Base interactions energy: -157.657
where: short stacking energy: -129.378
Base-Backbone interact. energy: 0.866
local terms energy: -253.504447
where:
bonds (distance) C4'-P energy: -83.336
bonds (distance) P-C4' energy: -83.628
flat angles C4'-P-C4' energy: -62.654
flat angles P-C4'-P energy: -36.307
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: 10, replica: 9
=====================================
Write number: 278
Temperature: 1.350000
Total energy: -341.048171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.048171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.048171 (E_RNA)
where:
Base-Base interactions energy: -118.360
where: short stacking energy: -85.343
Base-Backbone interact. energy: 6.417
local terms energy: -229.105679
where:
bonds (distance) C4'-P energy: -68.511
bonds (distance) P-C4' energy: -89.792
flat angles C4'-P-C4' energy: -49.727
flat angles P-C4'-P energy: -31.561
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: 1, replica: 1
=====================================
Write number: 279
Temperature: 0.900000
Total energy: -1221.619472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1221.619472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1221.619472 (E_RNA)
where:
Base-Base interactions energy: -748.481
where: short stacking energy: -418.993
Base-Backbone interact. energy: -3.886
local terms energy: -469.252274
where:
bonds (distance) C4'-P energy: -93.080
bonds (distance) P-C4' energy: -99.785
flat angles C4'-P-C4' energy: -102.149
flat angles P-C4'-P energy: -55.723
tors. eta vs tors. theta energy: -118.515
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: 4
=====================================
Write number: 279
Temperature: 0.950000
Total energy: -1122.797316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1122.797316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1122.797316 (E_RNA)
where:
Base-Base interactions energy: -665.377
where: short stacking energy: -384.902
Base-Backbone interact. energy: -1.297
local terms energy: -456.124297
where:
bonds (distance) C4'-P energy: -101.564
bonds (distance) P-C4' energy: -89.989
flat angles C4'-P-C4' energy: -80.939
flat angles P-C4'-P energy: -59.098
tors. eta vs tors. theta energy: -124.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 279
Temperature: 1.000000
Total energy: -915.642516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -915.642516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -915.642516 (E_RNA)
where:
Base-Base interactions energy: -511.696
where: short stacking energy: -316.768
Base-Backbone interact. energy: -0.500
local terms energy: -403.446466
where:
bonds (distance) C4'-P energy: -80.040
bonds (distance) P-C4' energy: -94.036
flat angles C4'-P-C4' energy: -92.599
flat angles P-C4'-P energy: -56.035
tors. eta vs tors. theta energy: -80.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 279
Temperature: 1.050000
Total energy: -760.252983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -760.252983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -760.252983 (E_RNA)
where:
Base-Base interactions energy: -376.048
where: short stacking energy: -250.612
Base-Backbone interact. energy: 0.285
local terms energy: -384.490372
where:
bonds (distance) C4'-P energy: -95.711
bonds (distance) P-C4' energy: -98.220
flat angles C4'-P-C4' energy: -88.507
flat angles P-C4'-P energy: -45.505
tors. eta vs tors. theta energy: -56.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 279
Temperature: 1.100000
Total energy: -634.088997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -634.088997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -634.088997 (E_RNA)
where:
Base-Base interactions energy: -279.713
where: short stacking energy: -214.491
Base-Backbone interact. energy: -1.655
local terms energy: -352.721227
where:
bonds (distance) C4'-P energy: -81.070
bonds (distance) P-C4' energy: -94.673
flat angles C4'-P-C4' energy: -77.044
flat angles P-C4'-P energy: -62.446
tors. eta vs tors. theta energy: -37.487
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 279
Temperature: 1.150000
Total energy: -553.687113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -553.687113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -553.687113 (E_RNA)
where:
Base-Base interactions energy: -274.594
where: short stacking energy: -193.435
Base-Backbone interact. energy: -0.832
local terms energy: -278.260658
where:
bonds (distance) C4'-P energy: -65.269
bonds (distance) P-C4' energy: -76.006
flat angles C4'-P-C4' energy: -70.634
flat angles P-C4'-P energy: -45.224
tors. eta vs tors. theta energy: -21.129
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: 5
=====================================
Write number: 279
Temperature: 1.200000
Total energy: -465.329836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -465.329836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -465.329836 (E_RNA)
where:
Base-Base interactions energy: -184.107
where: short stacking energy: -160.729
Base-Backbone interact. energy: -0.462
local terms energy: -280.760485
where:
bonds (distance) C4'-P energy: -71.950
bonds (distance) P-C4' energy: -84.552
flat angles C4'-P-C4' energy: -83.679
flat angles P-C4'-P energy: -28.794
tors. eta vs tors. theta energy: -11.786
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 279
Temperature: 1.250000
Total energy: -433.627552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -433.627552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -433.627552 (E_RNA)
where:
Base-Base interactions energy: -147.927
where: short stacking energy: -130.473
Base-Backbone interact. energy: -1.173
local terms energy: -284.527604
where:
bonds (distance) C4'-P energy: -82.528
bonds (distance) P-C4' energy: -83.686
flat angles C4'-P-C4' energy: -77.300
flat angles P-C4'-P energy: -38.964
tors. eta vs tors. theta energy: -2.050
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 279
Temperature: 1.300000
Total energy: -395.580685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -395.580685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -395.580685 (E_RNA)
where:
Base-Base interactions energy: -144.301
where: short stacking energy: -104.599
Base-Backbone interact. energy: -2.438
local terms energy: -248.842223
where:
bonds (distance) C4'-P energy: -63.224
bonds (distance) P-C4' energy: -88.228
flat angles C4'-P-C4' energy: -66.725
flat angles P-C4'-P energy: -43.194
tors. eta vs tors. theta energy: 12.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 279
Temperature: 1.350000
Total energy: -347.466821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.466821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.466821 (E_RNA)
where:
Base-Base interactions energy: -124.613
where: short stacking energy: -117.607
Base-Backbone interact. energy: 3.160
local terms energy: -226.013807
where:
bonds (distance) C4'-P energy: -73.556
bonds (distance) P-C4' energy: -63.527
flat angles C4'-P-C4' energy: -59.171
flat angles P-C4'-P energy: -45.075
tors. eta vs tors. theta energy: 15.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 280
Temperature: 0.900000
Total energy: -1251.106420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1251.106420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1251.106420 (E_RNA)
where:
Base-Base interactions energy: -755.335
where: short stacking energy: -409.491
Base-Backbone interact. energy: -2.792
local terms energy: -492.979667
where:
bonds (distance) C4'-P energy: -86.598
bonds (distance) P-C4' energy: -92.778
flat angles C4'-P-C4' energy: -107.635
flat angles P-C4'-P energy: -74.257
tors. eta vs tors. theta energy: -131.711
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 280
Temperature: 0.950000
Total energy: -1100.974638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1100.974638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1100.974638 (E_RNA)
where:
Base-Base interactions energy: -656.434
where: short stacking energy: -377.299
Base-Backbone interact. energy: -1.067
local terms energy: -443.473888
where:
bonds (distance) C4'-P energy: -78.779
bonds (distance) P-C4' energy: -97.794
flat angles C4'-P-C4' energy: -102.008
flat angles P-C4'-P energy: -66.502
tors. eta vs tors. theta energy: -98.390
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: 6
=====================================
Write number: 280
Temperature: 1.000000
Total energy: -886.569093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -886.569093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -886.569093 (E_RNA)
where:
Base-Base interactions energy: -489.812
where: short stacking energy: -288.874
Base-Backbone interact. energy: -2.614
local terms energy: -394.142808
where:
bonds (distance) C4'-P energy: -88.657
bonds (distance) P-C4' energy: -80.277
flat angles C4'-P-C4' energy: -94.855
flat angles P-C4'-P energy: -62.752
tors. eta vs tors. theta energy: -67.602
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: 4, replica: 7
=====================================
Write number: 280
Temperature: 1.050000
Total energy: -749.901713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -749.901713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -749.901713 (E_RNA)
where:
Base-Base interactions energy: -365.439
where: short stacking energy: -268.771
Base-Backbone interact. energy: -0.976
local terms energy: -383.486638
where:
bonds (distance) C4'-P energy: -75.303
bonds (distance) P-C4' energy: -91.554
flat angles C4'-P-C4' energy: -98.181
flat angles P-C4'-P energy: -61.554
tors. eta vs tors. theta energy: -56.894
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: 280
Temperature: 1.100000
Total energy: -619.356021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -619.356021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -619.356021 (E_RNA)
where:
Base-Base interactions energy: -244.790
where: short stacking energy: -199.732
Base-Backbone interact. energy: -1.125
local terms energy: -373.441389
where:
bonds (distance) C4'-P energy: -82.627
bonds (distance) P-C4' energy: -98.381
flat angles C4'-P-C4' energy: -85.659
flat angles P-C4'-P energy: -63.812
tors. eta vs tors. theta energy: -42.962
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: 8
=====================================
Write number: 280
Temperature: 1.150000
Total energy: -558.272246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -558.272246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -558.272246 (E_RNA)
where:
Base-Base interactions energy: -235.301
where: short stacking energy: -163.303
Base-Backbone interact. energy: -1.888
local terms energy: -321.082838
where:
bonds (distance) C4'-P energy: -70.293
bonds (distance) P-C4' energy: -86.124
flat angles C4'-P-C4' energy: -80.820
flat angles P-C4'-P energy: -64.985
tors. eta vs tors. theta energy: -18.860
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 280
Temperature: 1.200000
Total energy: -453.329004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -453.329004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -453.329004 (E_RNA)
where:
Base-Base interactions energy: -159.942
where: short stacking energy: -143.008
Base-Backbone interact. energy: -0.517
local terms energy: -292.870147
where:
bonds (distance) C4'-P energy: -86.825
bonds (distance) P-C4' energy: -84.549
flat angles C4'-P-C4' energy: -71.746
flat angles P-C4'-P energy: -46.603
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: 280
Temperature: 1.250000
Total energy: -396.805638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -396.805638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -396.805638 (E_RNA)
where:
Base-Base interactions energy: -150.008
where: short stacking energy: -113.753
Base-Backbone interact. energy: 4.229
local terms energy: -251.026414
where:
bonds (distance) C4'-P energy: -78.372
bonds (distance) P-C4' energy: -75.884
flat angles C4'-P-C4' energy: -73.076
flat angles P-C4'-P energy: -34.206
tors. eta vs tors. theta energy: 10.512
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: 3
=====================================
Write number: 280
Temperature: 1.300000
Total energy: -385.779941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -385.779941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -385.779941 (E_RNA)
where:
Base-Base interactions energy: -139.513
where: short stacking energy: -120.888
Base-Backbone interact. energy: 0.341
local terms energy: -246.607924
where:
bonds (distance) C4'-P energy: -66.740
bonds (distance) P-C4' energy: -84.047
flat angles C4'-P-C4' energy: -53.251
flat angles P-C4'-P energy: -49.585
tors. eta vs tors. theta energy: 7.015
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: 9
=====================================
Write number: 280
Temperature: 1.350000
Total energy: -337.775466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.775466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.775466 (E_RNA)
where:
Base-Base interactions energy: -115.008
where: short stacking energy: -97.269
Base-Backbone interact. energy: 0.225
local terms energy: -222.992347
where:
bonds (distance) C4'-P energy: -72.744
bonds (distance) P-C4' energy: -79.867
flat angles C4'-P-C4' energy: -48.275
flat angles P-C4'-P energy: -41.359
tors. eta vs tors. theta energy: 19.253
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: 281
Temperature: 0.900000
Total energy: -1270.933622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1270.933622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1270.933622 (E_RNA)
where:
Base-Base interactions energy: -784.370
where: short stacking energy: -423.598
Base-Backbone interact. energy: -2.342
local terms energy: -484.221683
where:
bonds (distance) C4'-P energy: -94.053
bonds (distance) P-C4' energy: -95.346
flat angles C4'-P-C4' energy: -104.779
flat angles P-C4'-P energy: -66.321
tors. eta vs tors. theta energy: -123.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 281
Temperature: 0.950000
Total energy: -1105.515710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1105.515710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1105.515710 (E_RNA)
where:
Base-Base interactions energy: -648.650
where: short stacking energy: -380.213
Base-Backbone interact. energy: 1.156
local terms energy: -458.021221
where:
bonds (distance) C4'-P energy: -90.923
bonds (distance) P-C4' energy: -92.922
flat angles C4'-P-C4' energy: -99.609
flat angles P-C4'-P energy: -65.614
tors. eta vs tors. theta energy: -108.953
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 281
Temperature: 1.000000
Total energy: -905.993084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -905.993084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -905.993084 (E_RNA)
where:
Base-Base interactions energy: -492.738
where: short stacking energy: -300.371
Base-Backbone interact. energy: 0.619
local terms energy: -413.873945
where:
bonds (distance) C4'-P energy: -88.994
bonds (distance) P-C4' energy: -98.345
flat angles C4'-P-C4' energy: -91.348
flat angles P-C4'-P energy: -63.506
tors. eta vs tors. theta energy: -71.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 281
Temperature: 1.050000
Total energy: -752.376766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -752.376766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -752.376766 (E_RNA)
where:
Base-Base interactions energy: -366.286
where: short stacking energy: -270.196
Base-Backbone interact. energy: -1.894
local terms energy: -384.196996
where:
bonds (distance) C4'-P energy: -90.755
bonds (distance) P-C4' energy: -98.947
flat angles C4'-P-C4' energy: -80.089
flat angles P-C4'-P energy: -52.527
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: 2
=====================================
Write number: 281
Temperature: 1.100000
Total energy: -599.104800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -599.104800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -599.104800 (E_RNA)
where:
Base-Base interactions energy: -261.935
where: short stacking energy: -202.610
Base-Backbone interact. energy: -0.751
local terms energy: -336.417970
where:
bonds (distance) C4'-P energy: -79.376
bonds (distance) P-C4' energy: -92.892
flat angles C4'-P-C4' energy: -87.728
flat angles P-C4'-P energy: -53.110
tors. eta vs tors. theta energy: -23.312
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 281
Temperature: 1.150000
Total energy: -622.427284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -622.427284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -622.427284 (E_RNA)
where:
Base-Base interactions energy: -288.430
where: short stacking energy: -193.645
Base-Backbone interact. energy: -0.635
local terms energy: -333.362998
where:
bonds (distance) C4'-P energy: -85.417
bonds (distance) P-C4' energy: -98.284
flat angles C4'-P-C4' energy: -78.120
flat angles P-C4'-P energy: -39.709
tors. eta vs tors. theta energy: -31.833
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 281
Temperature: 1.200000
Total energy: -454.015314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -454.015314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -454.015314 (E_RNA)
where:
Base-Base interactions energy: -188.257
where: short stacking energy: -148.597
Base-Backbone interact. energy: -2.281
local terms energy: -263.477192
where:
bonds (distance) C4'-P energy: -87.033
bonds (distance) P-C4' energy: -76.164
flat angles C4'-P-C4' energy: -58.036
flat angles P-C4'-P energy: -41.019
tors. eta vs tors. theta energy: -1.226
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: 3
=====================================
Write number: 281
Temperature: 1.250000
Total energy: -450.582216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -450.582216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -450.582216 (E_RNA)
where:
Base-Base interactions energy: -180.488
where: short stacking energy: -168.519
Base-Backbone interact. energy: -0.260
local terms energy: -269.835034
where:
bonds (distance) C4'-P energy: -65.153
bonds (distance) P-C4' energy: -69.827
flat angles C4'-P-C4' energy: -75.536
flat angles P-C4'-P energy: -50.423
tors. eta vs tors. theta energy: -8.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 281
Temperature: 1.300000
Total energy: -394.501950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -394.501950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -394.501950 (E_RNA)
where:
Base-Base interactions energy: -133.607
where: short stacking energy: -110.840
Base-Backbone interact. energy: 4.951
local terms energy: -265.845670
where:
bonds (distance) C4'-P energy: -66.777
bonds (distance) P-C4' energy: -93.517
flat angles C4'-P-C4' energy: -63.225
flat angles P-C4'-P energy: -48.726
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: 10, replica: 9
=====================================
Write number: 281
Temperature: 1.350000
Total energy: -355.387571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.387571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.387571 (E_RNA)
where:
Base-Base interactions energy: -125.535
where: short stacking energy: -116.423
Base-Backbone interact. energy: 1.675
local terms energy: -231.528059
where:
bonds (distance) C4'-P energy: -77.806
bonds (distance) P-C4' energy: -68.706
flat angles C4'-P-C4' energy: -67.008
flat angles P-C4'-P energy: -26.033
tors. eta vs tors. theta energy: 8.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 282
Temperature: 0.900000
Total energy: -1305.678009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1305.678009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1305.678009 (E_RNA)
where:
Base-Base interactions energy: -796.334
where: short stacking energy: -453.209
Base-Backbone interact. energy: -2.075
local terms energy: -507.268908
where:
bonds (distance) C4'-P energy: -98.350
bonds (distance) P-C4' energy: -93.695
flat angles C4'-P-C4' energy: -106.699
flat angles P-C4'-P energy: -66.139
tors. eta vs tors. theta energy: -142.386
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 282
Temperature: 0.950000
Total energy: -1157.707703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1157.707703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1157.707703 (E_RNA)
where:
Base-Base interactions energy: -679.392
where: short stacking energy: -400.591
Base-Backbone interact. energy: 0.845
local terms energy: -479.160819
where:
bonds (distance) C4'-P energy: -95.317
bonds (distance) P-C4' energy: -91.228
flat angles C4'-P-C4' energy: -104.183
flat angles P-C4'-P energy: -63.655
tors. eta vs tors. theta energy: -124.778
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 282
Temperature: 1.000000
Total energy: -911.895552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -911.895552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -911.895552 (E_RNA)
where:
Base-Base interactions energy: -502.005
where: short stacking energy: -297.473
Base-Backbone interact. energy: -0.819
local terms energy: -409.070756
where:
bonds (distance) C4'-P energy: -83.382
bonds (distance) P-C4' energy: -96.384
flat angles C4'-P-C4' energy: -92.361
flat angles P-C4'-P energy: -61.314
tors. eta vs tors. theta energy: -75.630
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: 7
=====================================
Write number: 282
Temperature: 1.050000
Total energy: -754.402821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -754.402821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -754.402821 (E_RNA)
where:
Base-Base interactions energy: -398.978
where: short stacking energy: -272.859
Base-Backbone interact. energy: 0.361
local terms energy: -355.786423
where:
bonds (distance) C4'-P energy: -79.507
bonds (distance) P-C4' energy: -82.968
flat angles C4'-P-C4' energy: -80.875
flat angles P-C4'-P energy: -53.010
tors. eta vs tors. theta energy: -59.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 282
Temperature: 1.100000
Total energy: -629.543879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -629.543879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -629.543879 (E_RNA)
where:
Base-Base interactions energy: -284.446
where: short stacking energy: -195.537
Base-Backbone interact. energy: 2.518
local terms energy: -347.616478
where:
bonds (distance) C4'-P energy: -89.299
bonds (distance) P-C4' energy: -90.497
flat angles C4'-P-C4' energy: -79.808
flat angles P-C4'-P energy: -50.581
tors. eta vs tors. theta energy: -37.431
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 282
Temperature: 1.150000
Total energy: -578.834165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -578.834165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -578.834165 (E_RNA)
where:
Base-Base interactions energy: -262.409
where: short stacking energy: -170.372
Base-Backbone interact. energy: -2.832
local terms energy: -313.593308
where:
bonds (distance) C4'-P energy: -89.017
bonds (distance) P-C4' energy: -68.812
flat angles C4'-P-C4' energy: -85.739
flat angles P-C4'-P energy: -47.034
tors. eta vs tors. theta energy: -22.992
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: 3
=====================================
Write number: 282
Temperature: 1.200000
Total energy: -443.197317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -443.197317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -443.197317 (E_RNA)
where:
Base-Base interactions energy: -157.683
where: short stacking energy: -149.104
Base-Backbone interact. energy: -1.119
local terms energy: -284.396208
where:
bonds (distance) C4'-P energy: -88.447
bonds (distance) P-C4' energy: -85.758
flat angles C4'-P-C4' energy: -54.174
flat angles P-C4'-P energy: -44.929
tors. eta vs tors. theta energy: -11.089
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: 8, replica: 5
=====================================
Write number: 282
Temperature: 1.250000
Total energy: -395.851718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -395.851718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -395.851718 (E_RNA)
where:
Base-Base interactions energy: -135.740
where: short stacking energy: -128.560
Base-Backbone interact. energy: -0.855
local terms energy: -259.256107
where:
bonds (distance) C4'-P energy: -71.221
bonds (distance) P-C4' energy: -80.579
flat angles C4'-P-C4' energy: -67.307
flat angles P-C4'-P energy: -49.684
tors. eta vs tors. theta energy: 9.534
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: 282
Temperature: 1.300000
Total energy: -398.731675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -398.731675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -398.731675 (E_RNA)
where:
Base-Base interactions energy: -142.932
where: short stacking energy: -127.103
Base-Backbone interact. energy: 0.096
local terms energy: -255.895006
where:
bonds (distance) C4'-P energy: -73.889
bonds (distance) P-C4' energy: -74.556
flat angles C4'-P-C4' energy: -71.824
flat angles P-C4'-P energy: -36.339
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: 10, replica: 10
=====================================
Write number: 282
Temperature: 1.350000
Total energy: -353.240028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.240028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.240028 (E_RNA)
where:
Base-Base interactions energy: -95.514
where: short stacking energy: -86.058
Base-Backbone interact. energy: 0.347
local terms energy: -258.073094
where:
bonds (distance) C4'-P energy: -97.803
bonds (distance) P-C4' energy: -76.721
flat angles C4'-P-C4' energy: -60.294
flat angles P-C4'-P energy: -41.834
tors. eta vs tors. theta energy: 18.578
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: 1
=====================================
Write number: 283
Temperature: 0.900000
Total energy: -1266.814953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1266.814953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1266.814953 (E_RNA)
where:
Base-Base interactions energy: -788.061
where: short stacking energy: -423.579
Base-Backbone interact. energy: -2.249
local terms energy: -476.504191
where:
bonds (distance) C4'-P energy: -78.191
bonds (distance) P-C4' energy: -91.002
flat angles C4'-P-C4' energy: -105.669
flat angles P-C4'-P energy: -72.250
tors. eta vs tors. theta energy: -129.392
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 283
Temperature: 0.950000
Total energy: -1117.636319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1117.636319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1117.636319 (E_RNA)
where:
Base-Base interactions energy: -647.318
where: short stacking energy: -387.347
Base-Backbone interact. energy: -1.053
local terms energy: -469.264952
where:
bonds (distance) C4'-P energy: -94.745
bonds (distance) P-C4' energy: -102.785
flat angles C4'-P-C4' energy: -100.958
flat angles P-C4'-P energy: -55.362
tors. eta vs tors. theta energy: -115.415
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: 6
=====================================
Write number: 283
Temperature: 1.000000
Total energy: -891.538792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -891.538792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -891.538792 (E_RNA)
where:
Base-Base interactions energy: -488.562
where: short stacking energy: -316.975
Base-Backbone interact. energy: 0.642
local terms energy: -403.619027
where:
bonds (distance) C4'-P energy: -85.250
bonds (distance) P-C4' energy: -82.961
flat angles C4'-P-C4' energy: -94.738
flat angles P-C4'-P energy: -66.317
tors. eta vs tors. theta energy: -74.353
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: 7
=====================================
Write number: 283
Temperature: 1.050000
Total energy: -798.681608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -798.681608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -798.681608 (E_RNA)
where:
Base-Base interactions energy: -431.601
where: short stacking energy: -285.621
Base-Backbone interact. energy: -0.111
local terms energy: -366.969217
where:
bonds (distance) C4'-P energy: -76.016
bonds (distance) P-C4' energy: -89.390
flat angles C4'-P-C4' energy: -79.963
flat angles P-C4'-P energy: -57.326
tors. eta vs tors. theta energy: -64.275
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 283
Temperature: 1.100000
Total energy: -623.388140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -623.388140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -623.388140 (E_RNA)
where:
Base-Base interactions energy: -278.708
where: short stacking energy: -210.755
Base-Backbone interact. energy: -0.109
local terms energy: -344.571633
where:
bonds (distance) C4'-P energy: -86.096
bonds (distance) P-C4' energy: -71.067
flat angles C4'-P-C4' energy: -88.733
flat angles P-C4'-P energy: -62.416
tors. eta vs tors. theta energy: -36.261
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: 8
=====================================
Write number: 283
Temperature: 1.150000
Total energy: -582.271495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -582.271495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -582.271495 (E_RNA)
where:
Base-Base interactions energy: -275.752
where: short stacking energy: -201.628
Base-Backbone interact. energy: 3.707
local terms energy: -310.226390
where:
bonds (distance) C4'-P energy: -88.335
bonds (distance) P-C4' energy: -74.755
flat angles C4'-P-C4' energy: -76.723
flat angles P-C4'-P energy: -49.502
tors. eta vs tors. theta energy: -20.911
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 283
Temperature: 1.200000
Total energy: -467.573513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -467.573513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -467.573513 (E_RNA)
where:
Base-Base interactions energy: -168.064
where: short stacking energy: -147.313
Base-Backbone interact. energy: 1.667
local terms energy: -301.175822
where:
bonds (distance) C4'-P energy: -75.394
bonds (distance) P-C4' energy: -78.756
flat angles C4'-P-C4' energy: -91.176
flat angles P-C4'-P energy: -54.602
tors. eta vs tors. theta energy: -1.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 283
Temperature: 1.250000
Total energy: -407.246409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.246409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -407.246409 (E_RNA)
where:
Base-Base interactions energy: -138.671
where: short stacking energy: -127.013
Base-Backbone interact. energy: 0.017
local terms energy: -268.592241
where:
bonds (distance) C4'-P energy: -78.297
bonds (distance) P-C4' energy: -88.594
flat angles C4'-P-C4' energy: -55.909
flat angles P-C4'-P energy: -37.899
tors. eta vs tors. theta energy: -7.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 283
Temperature: 1.300000
Total energy: -375.826072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -375.826072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -375.826072 (E_RNA)
where:
Base-Base interactions energy: -140.756
where: short stacking energy: -103.290
Base-Backbone interact. energy: 0.100
local terms energy: -235.170059
where:
bonds (distance) C4'-P energy: -60.737
bonds (distance) P-C4' energy: -72.425
flat angles C4'-P-C4' energy: -71.007
flat angles P-C4'-P energy: -42.351
tors. eta vs tors. theta energy: 11.350
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 283
Temperature: 1.350000
Total energy: -358.437570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.437570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.437570 (E_RNA)
where:
Base-Base interactions energy: -126.789
where: short stacking energy: -110.165
Base-Backbone interact. energy: -2.363
local terms energy: -229.285317
where:
bonds (distance) C4'-P energy: -54.175
bonds (distance) P-C4' energy: -78.926
flat angles C4'-P-C4' energy: -65.749
flat angles P-C4'-P energy: -32.465
tors. eta vs tors. theta energy: 2.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 284
Temperature: 0.900000
Total energy: -1270.355325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1270.355325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1270.355325 (E_RNA)
where:
Base-Base interactions energy: -791.721
where: short stacking energy: -426.522
Base-Backbone interact. energy: -1.629
local terms energy: -477.005329
where:
bonds (distance) C4'-P energy: -79.260
bonds (distance) P-C4' energy: -102.645
flat angles C4'-P-C4' energy: -101.403
flat angles P-C4'-P energy: -72.119
tors. eta vs tors. theta energy: -121.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 284
Temperature: 0.950000
Total energy: -1147.619686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1147.619686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1147.619686 (E_RNA)
where:
Base-Base interactions energy: -691.447
where: short stacking energy: -402.429
Base-Backbone interact. energy: 1.387
local terms energy: -457.560352
where:
bonds (distance) C4'-P energy: -85.548
bonds (distance) P-C4' energy: -80.657
flat angles C4'-P-C4' energy: -102.988
flat angles P-C4'-P energy: -62.943
tors. eta vs tors. theta energy: -125.423
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: 6
=====================================
Write number: 284
Temperature: 1.000000
Total energy: -964.107358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -964.107358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -964.107358 (E_RNA)
where:
Base-Base interactions energy: -523.009
where: short stacking energy: -348.618
Base-Backbone interact. energy: 0.267
local terms energy: -441.365645
where:
bonds (distance) C4'-P energy: -91.481
bonds (distance) P-C4' energy: -82.563
flat angles C4'-P-C4' energy: -105.583
flat angles P-C4'-P energy: -55.926
tors. eta vs tors. theta energy: -105.812
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 284
Temperature: 1.050000
Total energy: -838.356088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -838.356088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -838.356088 (E_RNA)
where:
Base-Base interactions energy: -455.556
where: short stacking energy: -309.184
Base-Backbone interact. energy: -0.335
local terms energy: -382.465773
where:
bonds (distance) C4'-P energy: -87.204
bonds (distance) P-C4' energy: -89.537
flat angles C4'-P-C4' energy: -90.805
flat angles P-C4'-P energy: -49.939
tors. eta vs tors. theta energy: -64.981
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 284
Temperature: 1.100000
Total energy: -705.874269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -705.874269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -705.874269 (E_RNA)
where:
Base-Base interactions energy: -351.464
where: short stacking energy: -254.420
Base-Backbone interact. energy: -0.992
local terms energy: -353.418565
where:
bonds (distance) C4'-P energy: -80.188
bonds (distance) P-C4' energy: -83.232
flat angles C4'-P-C4' energy: -78.973
flat angles P-C4'-P energy: -46.962
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: 6, replica: 8
=====================================
Write number: 284
Temperature: 1.150000
Total energy: -561.919510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -561.919510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -561.919510 (E_RNA)
where:
Base-Base interactions energy: -235.348
where: short stacking energy: -183.345
Base-Backbone interact. energy: -0.409
local terms energy: -326.162345
where:
bonds (distance) C4'-P energy: -91.627
bonds (distance) P-C4' energy: -83.134
flat angles C4'-P-C4' energy: -82.539
flat angles P-C4'-P energy: -40.559
tors. eta vs tors. theta energy: -28.303
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 284
Temperature: 1.200000
Total energy: -464.182558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -464.182558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -464.182558 (E_RNA)
where:
Base-Base interactions energy: -198.939
where: short stacking energy: -169.802
Base-Backbone interact. energy: 0.423
local terms energy: -265.666995
where:
bonds (distance) C4'-P energy: -44.926
bonds (distance) P-C4' energy: -76.089
flat angles C4'-P-C4' energy: -68.907
flat angles P-C4'-P energy: -48.657
tors. eta vs tors. theta energy: -27.088
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: 284
Temperature: 1.250000
Total energy: -400.682624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -400.682624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -400.682624 (E_RNA)
where:
Base-Base interactions energy: -127.711
where: short stacking energy: -124.890
Base-Backbone interact. energy: -1.703
local terms energy: -271.269049
where:
bonds (distance) C4'-P energy: -80.998
bonds (distance) P-C4' energy: -78.036
flat angles C4'-P-C4' energy: -76.883
flat angles P-C4'-P energy: -38.938
tors. eta vs tors. theta energy: 3.587
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: 284
Temperature: 1.300000
Total energy: -380.005012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -380.005012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -380.005012 (E_RNA)
where:
Base-Base interactions energy: -126.228
where: short stacking energy: -120.633
Base-Backbone interact. energy: -0.447
local terms energy: -253.329776
where:
bonds (distance) C4'-P energy: -93.952
bonds (distance) P-C4' energy: -71.481
flat angles C4'-P-C4' energy: -67.108
flat angles P-C4'-P energy: -31.267
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: 10, replica: 5
=====================================
Write number: 284
Temperature: 1.350000
Total energy: -355.884375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.884375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.884375 (E_RNA)
where:
Base-Base interactions energy: -105.685
where: short stacking energy: -98.408
Base-Backbone interact. energy: 3.558
local terms energy: -253.758002
where:
bonds (distance) C4'-P energy: -79.278
bonds (distance) P-C4' energy: -60.320
flat angles C4'-P-C4' energy: -79.377
flat angles P-C4'-P energy: -32.849
tors. eta vs tors. theta energy: -1.933
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: 1
=====================================
Write number: 285
Temperature: 0.900000
Total energy: -1279.828608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1279.828608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1279.828608 (E_RNA)
where:
Base-Base interactions energy: -790.164
where: short stacking energy: -427.045
Base-Backbone interact. energy: -0.901
local terms energy: -488.764256
where:
bonds (distance) C4'-P energy: -106.618
bonds (distance) P-C4' energy: -101.254
flat angles C4'-P-C4' energy: -99.215
flat angles P-C4'-P energy: -61.709
tors. eta vs tors. theta energy: -119.968
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 285
Temperature: 0.950000
Total energy: -1140.793129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1140.793129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1140.793129 (E_RNA)
where:
Base-Base interactions energy: -675.022
where: short stacking energy: -402.872
Base-Backbone interact. energy: -1.745
local terms energy: -464.025942
where:
bonds (distance) C4'-P energy: -94.890
bonds (distance) P-C4' energy: -97.188
flat angles C4'-P-C4' energy: -102.370
flat angles P-C4'-P energy: -56.881
tors. eta vs tors. theta energy: -112.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 285
Temperature: 1.000000
Total energy: -971.709410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -971.709410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -971.709410 (E_RNA)
where:
Base-Base interactions energy: -530.777
where: short stacking energy: -335.534
Base-Backbone interact. energy: -1.430
local terms energy: -439.502018
where:
bonds (distance) C4'-P energy: -83.517
bonds (distance) P-C4' energy: -100.401
flat angles C4'-P-C4' energy: -100.287
flat angles P-C4'-P energy: -54.494
tors. eta vs tors. theta energy: -100.802
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: 7
=====================================
Write number: 285
Temperature: 1.050000
Total energy: -820.478399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -820.478399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -820.478399 (E_RNA)
where:
Base-Base interactions energy: -418.843
where: short stacking energy: -259.397
Base-Backbone interact. energy: -0.667
local terms energy: -400.968439
where:
bonds (distance) C4'-P energy: -94.498
bonds (distance) P-C4' energy: -96.957
flat angles C4'-P-C4' energy: -73.021
flat angles P-C4'-P energy: -66.170
tors. eta vs tors. theta energy: -70.322
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 285
Temperature: 1.100000
Total energy: -644.732292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -644.732292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -644.732292 (E_RNA)
where:
Base-Base interactions energy: -292.470
where: short stacking energy: -234.324
Base-Backbone interact. energy: -0.657
local terms energy: -351.606023
where:
bonds (distance) C4'-P energy: -81.253
bonds (distance) P-C4' energy: -88.124
flat angles C4'-P-C4' energy: -87.365
flat angles P-C4'-P energy: -42.945
tors. eta vs tors. theta energy: -51.919
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: 8
=====================================
Write number: 285
Temperature: 1.150000
Total energy: -585.070620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -585.070620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -585.070620 (E_RNA)
where:
Base-Base interactions energy: -288.583
where: short stacking energy: -175.705
Base-Backbone interact. energy: -1.382
local terms energy: -295.106024
where:
bonds (distance) C4'-P energy: -90.490
bonds (distance) P-C4' energy: -84.403
flat angles C4'-P-C4' energy: -60.570
flat angles P-C4'-P energy: -41.704
tors. eta vs tors. theta energy: -17.940
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 285
Temperature: 1.200000
Total energy: -434.954429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -434.954429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -434.954429 (E_RNA)
where:
Base-Base interactions energy: -166.692
where: short stacking energy: -159.189
Base-Backbone interact. energy: -0.916
local terms energy: -267.347011
where:
bonds (distance) C4'-P energy: -70.316
bonds (distance) P-C4' energy: -66.542
flat angles C4'-P-C4' energy: -81.555
flat angles P-C4'-P energy: -48.897
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: 8, replica: 9
=====================================
Write number: 285
Temperature: 1.250000
Total energy: -424.317779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -424.317779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -424.317779 (E_RNA)
where:
Base-Base interactions energy: -134.286
where: short stacking energy: -127.633
Base-Backbone interact. energy: 2.305
local terms energy: -292.336378
where:
bonds (distance) C4'-P energy: -76.293
bonds (distance) P-C4' energy: -82.777
flat angles C4'-P-C4' energy: -81.203
flat angles P-C4'-P energy: -49.175
tors. eta vs tors. theta energy: -2.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 285
Temperature: 1.300000
Total energy: -396.744013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -396.744013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -396.744013 (E_RNA)
where:
Base-Base interactions energy: -136.532
where: short stacking energy: -106.878
Base-Backbone interact. energy: -0.665
local terms energy: -259.546962
where:
bonds (distance) C4'-P energy: -91.146
bonds (distance) P-C4' energy: -81.155
flat angles C4'-P-C4' energy: -58.602
flat angles P-C4'-P energy: -32.842
tors. eta vs tors. theta energy: 4.198
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: 5
=====================================
Write number: 285
Temperature: 1.350000
Total energy: -367.093718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.093718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.093718 (E_RNA)
where:
Base-Base interactions energy: -123.981
where: short stacking energy: -107.949
Base-Backbone interact. energy: 1.448
local terms energy: -244.560809
where:
bonds (distance) C4'-P energy: -86.459
bonds (distance) P-C4' energy: -73.459
flat angles C4'-P-C4' energy: -59.636
flat angles P-C4'-P energy: -39.976
tors. eta vs tors. theta energy: 14.969
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: 1, replica: 1
=====================================
Write number: 286
Temperature: 0.900000
Total energy: -1292.165140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1292.165140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1292.165140 (E_RNA)
where:
Base-Base interactions energy: -811.092
where: short stacking energy: -426.416
Base-Backbone interact. energy: -1.543
local terms energy: -479.529915
where:
bonds (distance) C4'-P energy: -72.617
bonds (distance) P-C4' energy: -100.801
flat angles C4'-P-C4' energy: -111.441
flat angles P-C4'-P energy: -67.023
tors. eta vs tors. theta energy: -127.648
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 286
Temperature: 0.950000
Total energy: -1169.057512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1169.057512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1169.057512 (E_RNA)
where:
Base-Base interactions energy: -700.913
where: short stacking energy: -418.588
Base-Backbone interact. energy: -0.023
local terms energy: -468.121094
where:
bonds (distance) C4'-P energy: -92.942
bonds (distance) P-C4' energy: -92.641
flat angles C4'-P-C4' energy: -97.851
flat angles P-C4'-P energy: -63.093
tors. eta vs tors. theta energy: -121.594
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 286
Temperature: 1.000000
Total energy: -979.083224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -979.083224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -979.083224 (E_RNA)
where:
Base-Base interactions energy: -546.592
where: short stacking energy: -332.721
Base-Backbone interact. energy: -1.155
local terms energy: -431.335700
where:
bonds (distance) C4'-P energy: -83.442
bonds (distance) P-C4' energy: -94.326
flat angles C4'-P-C4' energy: -89.116
flat angles P-C4'-P energy: -67.109
tors. eta vs tors. theta energy: -97.342
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 286
Temperature: 1.050000
Total energy: -802.441748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -802.441748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -802.441748 (E_RNA)
where:
Base-Base interactions energy: -406.732
where: short stacking energy: -276.295
Base-Backbone interact. energy: -0.534
local terms energy: -395.176299
where:
bonds (distance) C4'-P energy: -84.764
bonds (distance) P-C4' energy: -98.566
flat angles C4'-P-C4' energy: -99.276
flat angles P-C4'-P energy: -55.784
tors. eta vs tors. theta energy: -56.786
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 286
Temperature: 1.100000
Total energy: -637.416416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -637.416416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -637.416416 (E_RNA)
where:
Base-Base interactions energy: -305.442
where: short stacking energy: -230.158
Base-Backbone interact. energy: 0.216
local terms energy: -332.190933
where:
bonds (distance) C4'-P energy: -69.894
bonds (distance) P-C4' energy: -92.134
flat angles C4'-P-C4' energy: -70.193
flat angles P-C4'-P energy: -56.965
tors. eta vs tors. theta energy: -43.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 286
Temperature: 1.150000
Total energy: -578.665054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -578.665054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -578.665054 (E_RNA)
where:
Base-Base interactions energy: -280.421
where: short stacking energy: -204.946
Base-Backbone interact. energy: 1.829
local terms energy: -300.073370
where:
bonds (distance) C4'-P energy: -57.427
bonds (distance) P-C4' energy: -86.610
flat angles C4'-P-C4' energy: -81.373
flat angles P-C4'-P energy: -43.038
tors. eta vs tors. theta energy: -31.624
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: 3
=====================================
Write number: 286
Temperature: 1.200000
Total energy: -484.632060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -484.632060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -484.632060 (E_RNA)
where:
Base-Base interactions energy: -145.582
where: short stacking energy: -143.759
Base-Backbone interact. energy: 0.653
local terms energy: -339.702455
where:
bonds (distance) C4'-P energy: -94.831
bonds (distance) P-C4' energy: -93.243
flat angles C4'-P-C4' energy: -78.201
flat angles P-C4'-P energy: -49.660
tors. eta vs tors. theta energy: -23.768
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 286
Temperature: 1.250000
Total energy: -426.954024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -426.954024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -426.954024 (E_RNA)
where:
Base-Base interactions energy: -154.764
where: short stacking energy: -129.559
Base-Backbone interact. energy: 1.598
local terms energy: -273.788134
where:
bonds (distance) C4'-P energy: -73.935
bonds (distance) P-C4' energy: -71.751
flat angles C4'-P-C4' energy: -71.880
flat angles P-C4'-P energy: -48.640
tors. eta vs tors. theta energy: -7.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 286
Temperature: 1.300000
Total energy: -375.857841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -375.857841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -375.857841 (E_RNA)
where:
Base-Base interactions energy: -147.869
where: short stacking energy: -115.353
Base-Backbone interact. energy: 3.689
local terms energy: -231.677206
where:
bonds (distance) C4'-P energy: -72.152
bonds (distance) P-C4' energy: -70.545
flat angles C4'-P-C4' energy: -69.658
flat angles P-C4'-P energy: -34.705
tors. eta vs tors. theta energy: 15.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 286
Temperature: 1.350000
Total energy: -356.298512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.298512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.298512 (E_RNA)
where:
Base-Base interactions energy: -124.799
where: short stacking energy: -110.434
Base-Backbone interact. energy: 3.304
local terms energy: -234.804024
where:
bonds (distance) C4'-P energy: -70.009
bonds (distance) P-C4' energy: -80.639
flat angles C4'-P-C4' energy: -70.593
flat angles P-C4'-P energy: -33.155
tors. eta vs tors. theta energy: 19.591
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 287
Temperature: 0.900000
Total energy: -1284.328446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1284.328446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1284.328446 (E_RNA)
where:
Base-Base interactions energy: -787.751
where: short stacking energy: -404.848
Base-Backbone interact. energy: -3.481
local terms energy: -493.096808
where:
bonds (distance) C4'-P energy: -98.704
bonds (distance) P-C4' energy: -101.548
flat angles C4'-P-C4' energy: -104.356
flat angles P-C4'-P energy: -66.380
tors. eta vs tors. theta energy: -122.109
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 287
Temperature: 0.950000
Total energy: -1143.013000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1143.013000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1143.013000 (E_RNA)
where:
Base-Base interactions energy: -686.807
where: short stacking energy: -403.261
Base-Backbone interact. energy: -0.818
local terms energy: -455.387731
where:
bonds (distance) C4'-P energy: -84.812
bonds (distance) P-C4' energy: -88.855
flat angles C4'-P-C4' energy: -95.278
flat angles P-C4'-P energy: -62.940
tors. eta vs tors. theta energy: -123.504
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: 6
=====================================
Write number: 287
Temperature: 1.000000
Total energy: -947.814963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -947.814963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -947.814963 (E_RNA)
where:
Base-Base interactions energy: -522.159
where: short stacking energy: -328.425
Base-Backbone interact. energy: 2.487
local terms energy: -428.142910
where:
bonds (distance) C4'-P energy: -79.624
bonds (distance) P-C4' energy: -98.411
flat angles C4'-P-C4' energy: -99.872
flat angles P-C4'-P energy: -61.562
tors. eta vs tors. theta energy: -88.673
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: 7
=====================================
Write number: 287
Temperature: 1.050000
Total energy: -821.661662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -821.661662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -821.661662 (E_RNA)
where:
Base-Base interactions energy: -442.082
where: short stacking energy: -284.459
Base-Backbone interact. energy: 3.120
local terms energy: -382.699836
where:
bonds (distance) C4'-P energy: -85.263
bonds (distance) P-C4' energy: -83.759
flat angles C4'-P-C4' energy: -84.584
flat angles P-C4'-P energy: -59.836
tors. eta vs tors. theta energy: -69.258
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: 2
=====================================
Write number: 287
Temperature: 1.100000
Total energy: -595.321354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -595.321354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -595.321354 (E_RNA)
where:
Base-Base interactions energy: -265.680
where: short stacking energy: -210.275
Base-Backbone interact. energy: 0.458
local terms energy: -330.098928
where:
bonds (distance) C4'-P energy: -82.717
bonds (distance) P-C4' energy: -73.241
flat angles C4'-P-C4' energy: -86.669
flat angles P-C4'-P energy: -57.412
tors. eta vs tors. theta energy: -30.060
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: 8
=====================================
Write number: 287
Temperature: 1.150000
Total energy: -593.552354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -593.552354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -593.552354 (E_RNA)
where:
Base-Base interactions energy: -300.964
where: short stacking energy: -222.290
Base-Backbone interact. energy: -1.031
local terms energy: -291.557247
where:
bonds (distance) C4'-P energy: -69.858
bonds (distance) P-C4' energy: -74.277
flat angles C4'-P-C4' energy: -76.249
flat angles P-C4'-P energy: -45.126
tors. eta vs tors. theta energy: -26.046
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: 3
=====================================
Write number: 287
Temperature: 1.200000
Total energy: -438.560568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -438.560568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -438.560568 (E_RNA)
where:
Base-Base interactions energy: -144.257
where: short stacking energy: -120.528
Base-Backbone interact. energy: -0.767
local terms energy: -293.535897
where:
bonds (distance) C4'-P energy: -85.583
bonds (distance) P-C4' energy: -86.559
flat angles C4'-P-C4' energy: -69.055
flat angles P-C4'-P energy: -52.053
tors. eta vs tors. theta energy: -0.286
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: 287
Temperature: 1.250000
Total energy: -398.662882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -398.662882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -398.662882 (E_RNA)
where:
Base-Base interactions energy: -134.723
where: short stacking energy: -110.868
Base-Backbone interact. energy: 2.160
local terms energy: -266.100327
where:
bonds (distance) C4'-P energy: -79.011
bonds (distance) P-C4' energy: -98.114
flat angles C4'-P-C4' energy: -75.795
flat angles P-C4'-P energy: -23.134
tors. eta vs tors. theta energy: 9.954
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 287
Temperature: 1.300000
Total energy: -369.373289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.373289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.373289 (E_RNA)
where:
Base-Base interactions energy: -141.416
where: short stacking energy: -119.144
Base-Backbone interact. energy: 0.510
local terms energy: -228.467526
where:
bonds (distance) C4'-P energy: -79.347
bonds (distance) P-C4' energy: -65.880
flat angles C4'-P-C4' energy: -59.215
flat angles P-C4'-P energy: -25.575
tors. eta vs tors. theta energy: 1.549
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 287
Temperature: 1.350000
Total energy: -382.927633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -382.927633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -382.927633 (E_RNA)
where:
Base-Base interactions energy: -134.468
where: short stacking energy: -121.625
Base-Backbone interact. energy: 5.682
local terms energy: -254.141811
where:
bonds (distance) C4'-P energy: -79.740
bonds (distance) P-C4' energy: -80.476
flat angles C4'-P-C4' energy: -64.376
flat angles P-C4'-P energy: -26.154
tors. eta vs tors. theta energy: -3.396
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 288
Temperature: 0.900000
Total energy: -1272.392921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1272.392921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1272.392921 (E_RNA)
where:
Base-Base interactions energy: -768.652
where: short stacking energy: -407.826
Base-Backbone interact. energy: -2.672
local terms energy: -501.069178
where:
bonds (distance) C4'-P energy: -96.051
bonds (distance) P-C4' energy: -99.753
flat angles C4'-P-C4' energy: -112.570
flat angles P-C4'-P energy: -67.542
tors. eta vs tors. theta energy: -125.153
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 288
Temperature: 0.950000
Total energy: -1153.574672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1153.574672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1153.574672 (E_RNA)
where:
Base-Base interactions energy: -684.277
where: short stacking energy: -402.456
Base-Backbone interact. energy: -1.114
local terms energy: -468.183552
where:
bonds (distance) C4'-P energy: -91.613
bonds (distance) P-C4' energy: -81.336
flat angles C4'-P-C4' energy: -105.670
flat angles P-C4'-P energy: -70.200
tors. eta vs tors. theta energy: -119.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 288
Temperature: 1.000000
Total energy: -955.506103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -955.506103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -955.506103 (E_RNA)
where:
Base-Base interactions energy: -530.957
where: short stacking energy: -302.530
Base-Backbone interact. energy: -4.055
local terms energy: -420.494655
where:
bonds (distance) C4'-P energy: -93.618
bonds (distance) P-C4' energy: -85.540
flat angles C4'-P-C4' energy: -103.637
flat angles P-C4'-P energy: -60.950
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: 4, replica: 7
=====================================
Write number: 288
Temperature: 1.050000
Total energy: -794.230280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -794.230280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -794.230280 (E_RNA)
where:
Base-Base interactions energy: -402.179
where: short stacking energy: -280.771
Base-Backbone interact. energy: -0.360
local terms energy: -391.690745
where:
bonds (distance) C4'-P energy: -85.440
bonds (distance) P-C4' energy: -88.183
flat angles C4'-P-C4' energy: -83.039
flat angles P-C4'-P energy: -62.690
tors. eta vs tors. theta energy: -72.339
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: 8
=====================================
Write number: 288
Temperature: 1.100000
Total energy: -643.413466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -643.413466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -643.413466 (E_RNA)
where:
Base-Base interactions energy: -305.686
where: short stacking energy: -184.065
Base-Backbone interact. energy: -2.901
local terms energy: -334.826769
where:
bonds (distance) C4'-P energy: -80.307
bonds (distance) P-C4' energy: -85.806
flat angles C4'-P-C4' energy: -84.294
flat angles P-C4'-P energy: -57.419
tors. eta vs tors. theta energy: -27.001
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: 2
=====================================
Write number: 288
Temperature: 1.150000
Total energy: -528.591412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.591412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.591412 (E_RNA)
where:
Base-Base interactions energy: -235.207
where: short stacking energy: -163.687
Base-Backbone interact. energy: 2.856
local terms energy: -296.241220
where:
bonds (distance) C4'-P energy: -82.975
bonds (distance) P-C4' energy: -84.883
flat angles C4'-P-C4' energy: -69.479
flat angles P-C4'-P energy: -46.117
tors. eta vs tors. theta energy: -12.788
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 288
Temperature: 1.200000
Total energy: -530.227997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.227997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.227997 (E_RNA)
where:
Base-Base interactions energy: -234.664
where: short stacking energy: -145.370
Base-Backbone interact. energy: 0.305
local terms energy: -295.869210
where:
bonds (distance) C4'-P energy: -81.232
bonds (distance) P-C4' energy: -93.139
flat angles C4'-P-C4' energy: -63.868
flat angles P-C4'-P energy: -40.034
tors. eta vs tors. theta energy: -17.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 288
Temperature: 1.250000
Total energy: -401.969202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -401.969202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -401.969202 (E_RNA)
where:
Base-Base interactions energy: -127.447
where: short stacking energy: -103.901
Base-Backbone interact. energy: 2.398
local terms energy: -276.919978
where:
bonds (distance) C4'-P energy: -94.194
bonds (distance) P-C4' energy: -84.657
flat angles C4'-P-C4' energy: -56.612
flat angles P-C4'-P energy: -45.756
tors. eta vs tors. theta energy: 4.299
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 288
Temperature: 1.300000
Total energy: -388.447160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -388.447160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -388.447160 (E_RNA)
where:
Base-Base interactions energy: -133.659
where: short stacking energy: -130.470
Base-Backbone interact. energy: -1.425
local terms energy: -253.363072
where:
bonds (distance) C4'-P energy: -69.946
bonds (distance) P-C4' energy: -65.447
flat angles C4'-P-C4' energy: -71.159
flat angles P-C4'-P energy: -44.134
tors. eta vs tors. theta energy: -2.677
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: 288
Temperature: 1.350000
Total energy: -344.861741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.861741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.861741 (E_RNA)
where:
Base-Base interactions energy: -118.451
where: short stacking energy: -77.521
Base-Backbone interact. energy: 1.367
local terms energy: -227.777803
where:
bonds (distance) C4'-P energy: -73.084
bonds (distance) P-C4' energy: -81.684
flat angles C4'-P-C4' energy: -71.789
flat angles P-C4'-P energy: -19.579
tors. eta vs tors. theta energy: 18.359
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: 1
=====================================
Write number: 289
Temperature: 0.900000
Total energy: -1268.943102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1268.943102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1268.943102 (E_RNA)
where:
Base-Base interactions energy: -800.317
where: short stacking energy: -416.178
Base-Backbone interact. energy: -2.668
local terms energy: -465.957426
where:
bonds (distance) C4'-P energy: -90.990
bonds (distance) P-C4' energy: -90.863
flat angles C4'-P-C4' energy: -103.138
flat angles P-C4'-P energy: -69.827
tors. eta vs tors. theta energy: -111.139
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 289
Temperature: 0.950000
Total energy: -1164.503622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1164.503622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1164.503622 (E_RNA)
where:
Base-Base interactions energy: -698.594
where: short stacking energy: -377.182
Base-Backbone interact. energy: -0.795
local terms energy: -465.115371
where:
bonds (distance) C4'-P energy: -87.052
bonds (distance) P-C4' energy: -101.989
flat angles C4'-P-C4' energy: -94.999
flat angles P-C4'-P energy: -71.084
tors. eta vs tors. theta energy: -109.991
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 289
Temperature: 1.000000
Total energy: -967.532186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -967.532186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -967.532186 (E_RNA)
where:
Base-Base interactions energy: -545.786
where: short stacking energy: -328.111
Base-Backbone interact. energy: -1.940
local terms energy: -419.805953
where:
bonds (distance) C4'-P energy: -91.798
bonds (distance) P-C4' energy: -83.336
flat angles C4'-P-C4' energy: -94.133
flat angles P-C4'-P energy: -63.391
tors. eta vs tors. theta energy: -87.148
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: 7
=====================================
Write number: 289
Temperature: 1.050000
Total energy: -804.416870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -804.416870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -804.416870 (E_RNA)
where:
Base-Base interactions energy: -434.662
where: short stacking energy: -287.247
Base-Backbone interact. energy: 0.661
local terms energy: -370.415251
where:
bonds (distance) C4'-P energy: -79.029
bonds (distance) P-C4' energy: -77.923
flat angles C4'-P-C4' energy: -100.646
flat angles P-C4'-P energy: -55.338
tors. eta vs tors. theta energy: -57.479
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 289
Temperature: 1.100000
Total energy: -624.099635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -624.099635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -624.099635 (E_RNA)
where:
Base-Base interactions energy: -269.782
where: short stacking energy: -182.840
Base-Backbone interact. energy: -2.507
local terms energy: -351.810449
where:
bonds (distance) C4'-P energy: -84.471
bonds (distance) P-C4' energy: -83.543
flat angles C4'-P-C4' energy: -84.027
flat angles P-C4'-P energy: -63.499
tors. eta vs tors. theta energy: -36.270
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 289
Temperature: 1.150000
Total energy: -539.603085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.603085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.603085 (E_RNA)
where:
Base-Base interactions energy: -224.472
where: short stacking energy: -157.965
Base-Backbone interact. energy: 1.714
local terms energy: -316.845019
where:
bonds (distance) C4'-P energy: -76.424
bonds (distance) P-C4' energy: -94.477
flat angles C4'-P-C4' energy: -82.689
flat angles P-C4'-P energy: -50.457
tors. eta vs tors. theta energy: -12.798
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: 3
=====================================
Write number: 289
Temperature: 1.200000
Total energy: -442.751165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -442.751165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -442.751165 (E_RNA)
where:
Base-Base interactions energy: -153.795
where: short stacking energy: -132.797
Base-Backbone interact. energy: -0.953
local terms energy: -288.002489
where:
bonds (distance) C4'-P energy: -76.192
bonds (distance) P-C4' energy: -83.263
flat angles C4'-P-C4' energy: -77.498
flat angles P-C4'-P energy: -42.821
tors. eta vs tors. theta energy: -8.229
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 289
Temperature: 1.250000
Total energy: -427.206560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -427.206560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -427.206560 (E_RNA)
where:
Base-Base interactions energy: -145.425
where: short stacking energy: -129.772
Base-Backbone interact. energy: 0.882
local terms energy: -282.663403
where:
bonds (distance) C4'-P energy: -87.518
bonds (distance) P-C4' energy: -93.510
flat angles C4'-P-C4' energy: -66.869
flat angles P-C4'-P energy: -39.300
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: 9, replica: 5
=====================================
Write number: 289
Temperature: 1.300000
Total energy: -379.022451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -379.022451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -379.022451 (E_RNA)
where:
Base-Base interactions energy: -124.660
where: short stacking energy: -119.665
Base-Backbone interact. energy: 2.019
local terms energy: -256.381080
where:
bonds (distance) C4'-P energy: -59.157
bonds (distance) P-C4' energy: -92.316
flat angles C4'-P-C4' energy: -76.084
flat angles P-C4'-P energy: -33.846
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: 10, replica: 9
=====================================
Write number: 289
Temperature: 1.350000
Total energy: -380.670572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -380.670572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -380.670572 (E_RNA)
where:
Base-Base interactions energy: -151.910
where: short stacking energy: -139.093
Base-Backbone interact. energy: 2.092
local terms energy: -230.852381
where:
bonds (distance) C4'-P energy: -77.295
bonds (distance) P-C4' energy: -56.781
flat angles C4'-P-C4' energy: -69.047
flat angles P-C4'-P energy: -35.277
tors. eta vs tors. theta energy: 7.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 290
Temperature: 0.900000
Total energy: -1268.503615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1268.503615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1268.503615 (E_RNA)
where:
Base-Base interactions energy: -776.909
where: short stacking energy: -409.439
Base-Backbone interact. energy: -2.009
local terms energy: -489.585259
where:
bonds (distance) C4'-P energy: -92.220
bonds (distance) P-C4' energy: -94.086
flat angles C4'-P-C4' energy: -104.769
flat angles P-C4'-P energy: -75.586
tors. eta vs tors. theta energy: -122.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 290
Temperature: 0.950000
Total energy: -1147.847919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1147.847919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1147.847919 (E_RNA)
where:
Base-Base interactions energy: -674.722
where: short stacking energy: -391.554
Base-Backbone interact. energy: 0.423
local terms energy: -473.548546
where:
bonds (distance) C4'-P energy: -83.353
bonds (distance) P-C4' energy: -96.646
flat angles C4'-P-C4' energy: -111.707
flat angles P-C4'-P energy: -60.527
tors. eta vs tors. theta energy: -121.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 290
Temperature: 1.000000
Total energy: -886.453749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -886.453749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -886.453749 (E_RNA)
where:
Base-Base interactions energy: -489.552
where: short stacking energy: -287.485
Base-Backbone interact. energy: -0.150
local terms energy: -396.752490
where:
bonds (distance) C4'-P energy: -82.779
bonds (distance) P-C4' energy: -93.913
flat angles C4'-P-C4' energy: -100.250
flat angles P-C4'-P energy: -56.693
tors. eta vs tors. theta energy: -63.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 290
Temperature: 1.050000
Total energy: -803.094288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -803.094288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -803.094288 (E_RNA)
where:
Base-Base interactions energy: -424.517
where: short stacking energy: -275.360
Base-Backbone interact. energy: 0.148
local terms energy: -378.725943
where:
bonds (distance) C4'-P energy: -80.156
bonds (distance) P-C4' energy: -93.301
flat angles C4'-P-C4' energy: -79.836
flat angles P-C4'-P energy: -61.958
tors. eta vs tors. theta energy: -63.474
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: 8
=====================================
Write number: 290
Temperature: 1.100000
Total energy: -658.216126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -658.216126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -658.216126 (E_RNA)
where:
Base-Base interactions energy: -309.012
where: short stacking energy: -220.363
Base-Backbone interact. energy: -1.433
local terms energy: -347.770206
where:
bonds (distance) C4'-P energy: -84.358
bonds (distance) P-C4' energy: -88.517
flat angles C4'-P-C4' energy: -93.589
flat angles P-C4'-P energy: -47.164
tors. eta vs tors. theta energy: -34.143
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: 2
=====================================
Write number: 290
Temperature: 1.150000
Total energy: -553.725522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -553.725522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -553.725522 (E_RNA)
where:
Base-Base interactions energy: -235.341
where: short stacking energy: -179.426
Base-Backbone interact. energy: 0.327
local terms energy: -318.710913
where:
bonds (distance) C4'-P energy: -89.420
bonds (distance) P-C4' energy: -94.799
flat angles C4'-P-C4' energy: -81.068
flat angles P-C4'-P energy: -47.491
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: 7, replica: 3
=====================================
Write number: 290
Temperature: 1.200000
Total energy: -436.914750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -436.914750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -436.914750 (E_RNA)
where:
Base-Base interactions energy: -163.802
where: short stacking energy: -153.986
Base-Backbone interact. energy: 0.623
local terms energy: -273.736493
where:
bonds (distance) C4'-P energy: -85.618
bonds (distance) P-C4' energy: -91.423
flat angles C4'-P-C4' energy: -65.464
flat angles P-C4'-P energy: -36.384
tors. eta vs tors. theta energy: 5.153
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: 290
Temperature: 1.250000
Total energy: -425.784117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -425.784117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -425.784117 (E_RNA)
where:
Base-Base interactions energy: -165.716
where: short stacking energy: -134.111
Base-Backbone interact. energy: -1.421
local terms energy: -258.646824
where:
bonds (distance) C4'-P energy: -64.567
bonds (distance) P-C4' energy: -86.399
flat angles C4'-P-C4' energy: -77.079
flat angles P-C4'-P energy: -33.635
tors. eta vs tors. theta energy: 3.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 290
Temperature: 1.300000
Total energy: -365.322754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.322754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.322754 (E_RNA)
where:
Base-Base interactions energy: -106.560
where: short stacking energy: -94.176
Base-Backbone interact. energy: -0.017
local terms energy: -258.746688
where:
bonds (distance) C4'-P energy: -77.546
bonds (distance) P-C4' energy: -85.161
flat angles C4'-P-C4' energy: -67.909
flat angles P-C4'-P energy: -36.686
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: 10, replica: 9
=====================================
Write number: 290
Temperature: 1.350000
Total energy: -336.869158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.869158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.869158 (E_RNA)
where:
Base-Base interactions energy: -106.292
where: short stacking energy: -101.198
Base-Backbone interact. energy: 2.623
local terms energy: -233.200562
where:
bonds (distance) C4'-P energy: -65.970
bonds (distance) P-C4' energy: -80.829
flat angles C4'-P-C4' energy: -62.282
flat angles P-C4'-P energy: -39.774
tors. eta vs tors. theta energy: 15.655
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 291
Temperature: 0.900000
Total energy: -1282.613294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1282.613294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1282.613294 (E_RNA)
where:
Base-Base interactions energy: -791.931
where: short stacking energy: -434.725
Base-Backbone interact. energy: -2.855
local terms energy: -487.827009
where:
bonds (distance) C4'-P energy: -97.679
bonds (distance) P-C4' energy: -92.075
flat angles C4'-P-C4' energy: -104.438
flat angles P-C4'-P energy: -67.814
tors. eta vs tors. theta energy: -125.822
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 291
Temperature: 0.950000
Total energy: -1164.238698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1164.238698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1164.238698 (E_RNA)
where:
Base-Base interactions energy: -683.702
where: short stacking energy: -403.168
Base-Backbone interact. energy: -1.861
local terms energy: -478.675369
where:
bonds (distance) C4'-P energy: -93.552
bonds (distance) P-C4' energy: -104.311
flat angles C4'-P-C4' energy: -95.147
flat angles P-C4'-P energy: -66.250
tors. eta vs tors. theta energy: -119.416
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 291
Temperature: 1.000000
Total energy: -954.842808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -954.842808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -954.842808 (E_RNA)
where:
Base-Base interactions energy: -516.895
where: short stacking energy: -334.681
Base-Backbone interact. energy: -1.891
local terms energy: -436.057151
where:
bonds (distance) C4'-P energy: -89.601
bonds (distance) P-C4' energy: -92.223
flat angles C4'-P-C4' energy: -101.925
flat angles P-C4'-P energy: -57.574
tors. eta vs tors. theta energy: -94.734
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: 7
=====================================
Write number: 291
Temperature: 1.050000
Total energy: -771.638481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -771.638481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -771.638481 (E_RNA)
where:
Base-Base interactions energy: -383.068
where: short stacking energy: -266.959
Base-Backbone interact. energy: -0.784
local terms energy: -387.786215
where:
bonds (distance) C4'-P energy: -83.154
bonds (distance) P-C4' energy: -82.122
flat angles C4'-P-C4' energy: -95.087
flat angles P-C4'-P energy: -67.653
tors. eta vs tors. theta energy: -59.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 291
Temperature: 1.100000
Total energy: -708.209160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -708.209160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -708.209160 (E_RNA)
where:
Base-Base interactions energy: -329.156
where: short stacking energy: -234.585
Base-Backbone interact. energy: -0.693
local terms energy: -378.360849
where:
bonds (distance) C4'-P energy: -86.524
bonds (distance) P-C4' energy: -87.881
flat angles C4'-P-C4' energy: -84.644
flat angles P-C4'-P energy: -56.997
tors. eta vs tors. theta energy: -62.315
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: 2
=====================================
Write number: 291
Temperature: 1.150000
Total energy: -565.765611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -565.765611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -565.765611 (E_RNA)
where:
Base-Base interactions energy: -254.437
where: short stacking energy: -171.751
Base-Backbone interact. energy: 0.457
local terms energy: -311.785053
where:
bonds (distance) C4'-P energy: -83.584
bonds (distance) P-C4' energy: -79.936
flat angles C4'-P-C4' energy: -84.342
flat angles P-C4'-P energy: -40.770
tors. eta vs tors. theta energy: -23.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 291
Temperature: 1.200000
Total energy: -440.872841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -440.872841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -440.872841 (E_RNA)
where:
Base-Base interactions energy: -175.131
where: short stacking energy: -124.586
Base-Backbone interact. energy: 2.463
local terms energy: -268.204910
where:
bonds (distance) C4'-P energy: -63.573
bonds (distance) P-C4' energy: -80.887
flat angles C4'-P-C4' energy: -78.237
flat angles P-C4'-P energy: -44.204
tors. eta vs tors. theta energy: -1.305
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: 5
=====================================
Write number: 291
Temperature: 1.250000
Total energy: -417.436100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.436100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.436100 (E_RNA)
where:
Base-Base interactions energy: -131.961
where: short stacking energy: -122.771
Base-Backbone interact. energy: -1.140
local terms energy: -284.334266
where:
bonds (distance) C4'-P energy: -78.748
bonds (distance) P-C4' energy: -90.665
flat angles C4'-P-C4' energy: -78.824
flat angles P-C4'-P energy: -49.060
tors. eta vs tors. theta energy: 12.962
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: 10
=====================================
Write number: 291
Temperature: 1.300000
Total energy: -378.867350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -378.867350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -378.867350 (E_RNA)
where:
Base-Base interactions energy: -103.731
where: short stacking energy: -101.903
Base-Backbone interact. energy: 0.751
local terms energy: -275.887564
where:
bonds (distance) C4'-P energy: -85.086
bonds (distance) P-C4' energy: -79.122
flat angles C4'-P-C4' energy: -63.548
flat angles P-C4'-P energy: -48.637
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: 10, replica: 9
=====================================
Write number: 291
Temperature: 1.350000
Total energy: -349.475500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.475500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.475500 (E_RNA)
where:
Base-Base interactions energy: -110.001
where: short stacking energy: -95.460
Base-Backbone interact. energy: 0.724
local terms energy: -240.199120
where:
bonds (distance) C4'-P energy: -59.974
bonds (distance) P-C4' energy: -97.928
flat angles C4'-P-C4' energy: -53.351
flat angles P-C4'-P energy: -35.960
tors. eta vs tors. theta energy: 7.014
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: 292
Temperature: 0.900000
Total energy: -1301.591750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1301.591750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1301.591750 (E_RNA)
where:
Base-Base interactions energy: -817.802
where: short stacking energy: -420.845
Base-Backbone interact. energy: 0.952
local terms energy: -484.741247
where:
bonds (distance) C4'-P energy: -95.798
bonds (distance) P-C4' energy: -96.777
flat angles C4'-P-C4' energy: -106.988
flat angles P-C4'-P energy: -61.994
tors. eta vs tors. theta energy: -123.183
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: 4
=====================================
Write number: 292
Temperature: 0.950000
Total energy: -1142.708306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1142.708306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1142.708306 (E_RNA)
where:
Base-Base interactions energy: -683.673
where: short stacking energy: -357.722
Base-Backbone interact. energy: -1.365
local terms energy: -457.669564
where:
bonds (distance) C4'-P energy: -95.242
bonds (distance) P-C4' energy: -91.242
flat angles C4'-P-C4' energy: -101.082
flat angles P-C4'-P energy: -67.925
tors. eta vs tors. theta energy: -102.178
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 292
Temperature: 1.000000
Total energy: -885.611990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -885.611990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -885.611990 (E_RNA)
where:
Base-Base interactions energy: -470.242
where: short stacking energy: -273.062
Base-Backbone interact. energy: -0.620
local terms energy: -414.749992
where:
bonds (distance) C4'-P energy: -88.523
bonds (distance) P-C4' energy: -96.838
flat angles C4'-P-C4' energy: -99.863
flat angles P-C4'-P energy: -68.649
tors. eta vs tors. theta energy: -60.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 292
Temperature: 1.050000
Total energy: -771.600816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -771.600816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -771.600816 (E_RNA)
where:
Base-Base interactions energy: -378.436
where: short stacking energy: -264.804
Base-Backbone interact. energy: -0.535
local terms energy: -392.630059
where:
bonds (distance) C4'-P energy: -76.414
bonds (distance) P-C4' energy: -93.504
flat angles C4'-P-C4' energy: -85.265
flat angles P-C4'-P energy: -74.159
tors. eta vs tors. theta energy: -63.288
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: 8
=====================================
Write number: 292
Temperature: 1.100000
Total energy: -659.444619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -659.444619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -659.444619 (E_RNA)
where:
Base-Base interactions energy: -298.582
where: short stacking energy: -222.450
Base-Backbone interact. energy: -0.736
local terms energy: -360.126636
where:
bonds (distance) C4'-P energy: -84.836
bonds (distance) P-C4' energy: -86.277
flat angles C4'-P-C4' energy: -88.593
flat angles P-C4'-P energy: -62.275
tors. eta vs tors. theta energy: -38.145
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: 6, replica: 2
=====================================
Write number: 292
Temperature: 1.150000
Total energy: -603.379866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -603.379866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -603.379866 (E_RNA)
where:
Base-Base interactions energy: -298.691
where: short stacking energy: -205.038
Base-Backbone interact. energy: 2.523
local terms energy: -307.212287
where:
bonds (distance) C4'-P energy: -79.442
bonds (distance) P-C4' energy: -67.714
flat angles C4'-P-C4' energy: -98.771
flat angles P-C4'-P energy: -47.282
tors. eta vs tors. theta energy: -14.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 292
Temperature: 1.200000
Total energy: -449.256033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -449.256033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -449.256033 (E_RNA)
where:
Base-Base interactions energy: -151.007
where: short stacking energy: -129.787
Base-Backbone interact. energy: 4.346
local terms energy: -302.595142
where:
bonds (distance) C4'-P energy: -93.040
bonds (distance) P-C4' energy: -87.117
flat angles C4'-P-C4' energy: -77.207
flat angles P-C4'-P energy: -38.613
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: 8, replica: 3
=====================================
Write number: 292
Temperature: 1.250000
Total energy: -414.930690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.930690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.930690 (E_RNA)
where:
Base-Base interactions energy: -159.030
where: short stacking energy: -124.723
Base-Backbone interact. energy: 1.198
local terms energy: -257.098501
where:
bonds (distance) C4'-P energy: -56.596
bonds (distance) P-C4' energy: -83.026
flat angles C4'-P-C4' energy: -63.554
flat angles P-C4'-P energy: -54.288
tors. eta vs tors. theta energy: 0.367
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 292
Temperature: 1.300000
Total energy: -378.512561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -378.512561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -378.512561 (E_RNA)
where:
Base-Base interactions energy: -129.979
where: short stacking energy: -104.729
Base-Backbone interact. energy: -1.519
local terms energy: -247.014406
where:
bonds (distance) C4'-P energy: -74.068
bonds (distance) P-C4' energy: -72.897
flat angles C4'-P-C4' energy: -74.282
flat angles P-C4'-P energy: -42.236
tors. eta vs tors. theta energy: 16.469
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: 10
=====================================
Write number: 292
Temperature: 1.350000
Total energy: -350.487723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.487723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.487723 (E_RNA)
where:
Base-Base interactions energy: -115.825
where: short stacking energy: -99.548
Base-Backbone interact. energy: -0.654
local terms energy: -234.009154
where:
bonds (distance) C4'-P energy: -68.784
bonds (distance) P-C4' energy: -81.832
flat angles C4'-P-C4' energy: -52.585
flat angles P-C4'-P energy: -44.477
tors. eta vs tors. theta energy: 13.669
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: 1
=====================================
Write number: 293
Temperature: 0.900000
Total energy: -1285.251238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1285.251238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1285.251238 (E_RNA)
where:
Base-Base interactions energy: -804.735
where: short stacking energy: -413.958
Base-Backbone interact. energy: 0.620
local terms energy: -481.136395
where:
bonds (distance) C4'-P energy: -93.266
bonds (distance) P-C4' energy: -97.711
flat angles C4'-P-C4' energy: -109.368
flat angles P-C4'-P energy: -65.930
tors. eta vs tors. theta energy: -114.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 293
Temperature: 0.950000
Total energy: -1165.639533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1165.639533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1165.639533 (E_RNA)
where:
Base-Base interactions energy: -695.588
where: short stacking energy: -391.054
Base-Backbone interact. energy: -0.546
local terms energy: -469.505348
where:
bonds (distance) C4'-P energy: -84.889
bonds (distance) P-C4' energy: -100.649
flat angles C4'-P-C4' energy: -104.818
flat angles P-C4'-P energy: -57.259
tors. eta vs tors. theta energy: -121.890
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: 6
=====================================
Write number: 293
Temperature: 1.000000
Total energy: -893.152883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -893.152883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -893.152883 (E_RNA)
where:
Base-Base interactions energy: -475.419
where: short stacking energy: -288.398
Base-Backbone interact. energy: 2.434
local terms energy: -420.167726
where:
bonds (distance) C4'-P energy: -92.175
bonds (distance) P-C4' energy: -97.359
flat angles C4'-P-C4' energy: -88.567
flat angles P-C4'-P energy: -61.543
tors. eta vs tors. theta energy: -80.524
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 293
Temperature: 1.050000
Total energy: -753.520347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -753.520347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -753.520347 (E_RNA)
where:
Base-Base interactions energy: -379.804
where: short stacking energy: -289.016
Base-Backbone interact. energy: 0.315
local terms energy: -374.031267
where:
bonds (distance) C4'-P energy: -75.139
bonds (distance) P-C4' energy: -94.991
flat angles C4'-P-C4' energy: -84.647
flat angles P-C4'-P energy: -54.117
tors. eta vs tors. theta energy: -65.137
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: 5, replica: 7
=====================================
Write number: 293
Temperature: 1.100000
Total energy: -718.109379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -718.109379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -718.109379 (E_RNA)
where:
Base-Base interactions energy: -348.992
where: short stacking energy: -226.188
Base-Backbone interact. energy: 0.630
local terms energy: -369.746863
where:
bonds (distance) C4'-P energy: -83.639
bonds (distance) P-C4' energy: -89.612
flat angles C4'-P-C4' energy: -92.923
flat angles P-C4'-P energy: -48.059
tors. eta vs tors. theta energy: -55.514
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 293
Temperature: 1.150000
Total energy: -553.549517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -553.549517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -553.549517 (E_RNA)
where:
Base-Base interactions energy: -240.027
where: short stacking energy: -167.171
Base-Backbone interact. energy: -2.049
local terms energy: -311.473191
where:
bonds (distance) C4'-P energy: -85.668
bonds (distance) P-C4' energy: -84.119
flat angles C4'-P-C4' energy: -67.226
flat angles P-C4'-P energy: -54.750
tors. eta vs tors. theta energy: -19.711
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: 7, replica: 5
=====================================
Write number: 293
Temperature: 1.200000
Total energy: -450.384427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -450.384427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -450.384427 (E_RNA)
where:
Base-Base interactions energy: -179.168
where: short stacking energy: -140.427
Base-Backbone interact. energy: 5.004
local terms energy: -276.220406
where:
bonds (distance) C4'-P energy: -90.493
bonds (distance) P-C4' energy: -81.934
flat angles C4'-P-C4' energy: -57.183
flat angles P-C4'-P energy: -45.625
tors. eta vs tors. theta energy: -0.985
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 293
Temperature: 1.250000
Total energy: -410.655771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.655771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -410.655771 (E_RNA)
where:
Base-Base interactions energy: -161.235
where: short stacking energy: -124.039
Base-Backbone interact. energy: 3.236
local terms energy: -252.656350
where:
bonds (distance) C4'-P energy: -67.797
bonds (distance) P-C4' energy: -70.345
flat angles C4'-P-C4' energy: -70.804
flat angles P-C4'-P energy: -49.535
tors. eta vs tors. theta energy: 5.825
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 293
Temperature: 1.300000
Total energy: -376.054693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -376.054693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -376.054693 (E_RNA)
where:
Base-Base interactions energy: -122.802
where: short stacking energy: -114.653
Base-Backbone interact. energy: 3.990
local terms energy: -257.242317
where:
bonds (distance) C4'-P energy: -80.182
bonds (distance) P-C4' energy: -69.349
flat angles C4'-P-C4' energy: -69.728
flat angles P-C4'-P energy: -36.137
tors. eta vs tors. theta energy: -1.847
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: 293
Temperature: 1.350000
Total energy: -353.546126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.546126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.546126 (E_RNA)
where:
Base-Base interactions energy: -126.159
where: short stacking energy: -117.069
Base-Backbone interact. energy: 5.227
local terms energy: -232.614057
where:
bonds (distance) C4'-P energy: -74.774
bonds (distance) P-C4' energy: -69.873
flat angles C4'-P-C4' energy: -63.750
flat angles P-C4'-P energy: -40.579
tors. eta vs tors. theta energy: 16.361
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 294
Temperature: 0.900000
Total energy: -1296.153923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1296.153923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1296.153923 (E_RNA)
where:
Base-Base interactions energy: -805.848
where: short stacking energy: -427.831
Base-Backbone interact. energy: -1.224
local terms energy: -489.082227
where:
bonds (distance) C4'-P energy: -96.460
bonds (distance) P-C4' energy: -99.219
flat angles C4'-P-C4' energy: -97.782
flat angles P-C4'-P energy: -74.389
tors. eta vs tors. theta energy: -121.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 294
Temperature: 0.950000
Total energy: -1163.935640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1163.935640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1163.935640 (E_RNA)
where:
Base-Base interactions energy: -680.211
where: short stacking energy: -387.637
Base-Backbone interact. energy: -1.086
local terms energy: -482.638770
where:
bonds (distance) C4'-P energy: -99.882
bonds (distance) P-C4' energy: -90.197
flat angles C4'-P-C4' energy: -104.861
flat angles P-C4'-P energy: -72.820
tors. eta vs tors. theta energy: -114.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 294
Temperature: 1.000000
Total energy: -901.929410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -901.929410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -901.929410 (E_RNA)
where:
Base-Base interactions energy: -482.053
where: short stacking energy: -294.778
Base-Backbone interact. energy: -1.303
local terms energy: -418.573416
where:
bonds (distance) C4'-P energy: -86.131
bonds (distance) P-C4' energy: -88.322
flat angles C4'-P-C4' energy: -95.697
flat angles P-C4'-P energy: -70.313
tors. eta vs tors. theta energy: -78.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 294
Temperature: 1.050000
Total energy: -715.780434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -715.780434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -715.780434 (E_RNA)
where:
Base-Base interactions energy: -357.414
where: short stacking energy: -246.809
Base-Backbone interact. energy: -0.390
local terms energy: -357.976423
where:
bonds (distance) C4'-P energy: -90.836
bonds (distance) P-C4' energy: -90.202
flat angles C4'-P-C4' energy: -80.217
flat angles P-C4'-P energy: -50.297
tors. eta vs tors. theta energy: -46.424
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 294
Temperature: 1.100000
Total energy: -731.291494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -731.291494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -731.291494 (E_RNA)
where:
Base-Base interactions energy: -375.791
where: short stacking energy: -235.442
Base-Backbone interact. energy: 6.418
local terms energy: -361.918432
where:
bonds (distance) C4'-P energy: -81.741
bonds (distance) P-C4' energy: -86.263
flat angles C4'-P-C4' energy: -90.348
flat angles P-C4'-P energy: -43.164
tors. eta vs tors. theta energy: -60.402
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 294
Temperature: 1.150000
Total energy: -591.200106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -591.200106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -591.200106 (E_RNA)
where:
Base-Base interactions energy: -301.181
where: short stacking energy: -186.289
Base-Backbone interact. energy: 0.804
local terms energy: -290.822786
where:
bonds (distance) C4'-P energy: -72.717
bonds (distance) P-C4' energy: -76.811
flat angles C4'-P-C4' energy: -78.485
flat angles P-C4'-P energy: -49.490
tors. eta vs tors. theta energy: -13.321
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 294
Temperature: 1.200000
Total energy: -442.467675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -442.467675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -442.467675 (E_RNA)
where:
Base-Base interactions energy: -138.744
where: short stacking energy: -108.814
Base-Backbone interact. energy: -0.338
local terms energy: -303.385682
where:
bonds (distance) C4'-P energy: -85.919
bonds (distance) P-C4' energy: -92.473
flat angles C4'-P-C4' energy: -82.433
flat angles P-C4'-P energy: -49.536
tors. eta vs tors. theta energy: 6.975
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 294
Temperature: 1.250000
Total energy: -421.024749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.024749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -421.024749 (E_RNA)
where:
Base-Base interactions energy: -156.221
where: short stacking energy: -143.789
Base-Backbone interact. energy: 0.129
local terms energy: -264.932917
where:
bonds (distance) C4'-P energy: -73.404
bonds (distance) P-C4' energy: -73.050
flat angles C4'-P-C4' energy: -77.509
flat angles P-C4'-P energy: -31.986
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: 9, replica: 10
=====================================
Write number: 294
Temperature: 1.300000
Total energy: -454.107019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -454.107019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -454.107019 (E_RNA)
where:
Base-Base interactions energy: -156.878
where: short stacking energy: -122.940
Base-Backbone interact. energy: -1.561
local terms energy: -295.667460
where:
bonds (distance) C4'-P energy: -86.371
bonds (distance) P-C4' energy: -78.691
flat angles C4'-P-C4' energy: -81.466
flat angles P-C4'-P energy: -46.222
tors. eta vs tors. theta energy: -2.917
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: 10, replica: 3
=====================================
Write number: 294
Temperature: 1.350000
Total energy: -344.688547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.688547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.688547 (E_RNA)
where:
Base-Base interactions energy: -99.604
where: short stacking energy: -97.293
Base-Backbone interact. energy: -0.995
local terms energy: -244.089303
where:
bonds (distance) C4'-P energy: -74.966
bonds (distance) P-C4' energy: -81.176
flat angles C4'-P-C4' energy: -49.131
flat angles P-C4'-P energy: -47.559
tors. eta vs tors. theta energy: 8.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 295
Temperature: 0.900000
Total energy: -1295.920535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1295.920535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1295.920535 (E_RNA)
where:
Base-Base interactions energy: -812.386
where: short stacking energy: -434.718
Base-Backbone interact. energy: -2.157
local terms energy: -481.377366
where:
bonds (distance) C4'-P energy: -82.906
bonds (distance) P-C4' energy: -100.128
flat angles C4'-P-C4' energy: -105.479
flat angles P-C4'-P energy: -64.315
tors. eta vs tors. theta energy: -128.550
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 295
Temperature: 0.950000
Total energy: -1144.284124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1144.284124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1144.284124 (E_RNA)
where:
Base-Base interactions energy: -668.124
where: short stacking energy: -424.971
Base-Backbone interact. energy: -1.077
local terms energy: -475.083313
where:
bonds (distance) C4'-P energy: -90.330
bonds (distance) P-C4' energy: -94.243
flat angles C4'-P-C4' energy: -102.387
flat angles P-C4'-P energy: -64.051
tors. eta vs tors. theta energy: -124.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 295
Temperature: 1.000000
Total energy: -871.876848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -871.876848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -871.876848 (E_RNA)
where:
Base-Base interactions energy: -459.178
where: short stacking energy: -285.727
Base-Backbone interact. energy: -2.478
local terms energy: -410.220374
where:
bonds (distance) C4'-P energy: -96.603
bonds (distance) P-C4' energy: -82.597
flat angles C4'-P-C4' energy: -92.273
flat angles P-C4'-P energy: -70.670
tors. eta vs tors. theta energy: -68.077
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: 7
=====================================
Write number: 295
Temperature: 1.050000
Total energy: -821.478633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -821.478633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -821.478633 (E_RNA)
where:
Base-Base interactions energy: -427.020
where: short stacking energy: -293.526
Base-Backbone interact. energy: -1.371
local terms energy: -393.086850
where:
bonds (distance) C4'-P energy: -86.347
bonds (distance) P-C4' energy: -84.431
flat angles C4'-P-C4' energy: -93.924
flat angles P-C4'-P energy: -55.640
tors. eta vs tors. theta energy: -72.745
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 295
Temperature: 1.100000
Total energy: -619.866616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -619.866616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -619.866616 (E_RNA)
where:
Base-Base interactions energy: -297.856
where: short stacking energy: -231.164
Base-Backbone interact. energy: 4.373
local terms energy: -326.383358
where:
bonds (distance) C4'-P energy: -81.470
bonds (distance) P-C4' energy: -89.247
flat angles C4'-P-C4' energy: -90.102
flat angles P-C4'-P energy: -36.788
tors. eta vs tors. theta energy: -28.776
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 295
Temperature: 1.150000
Total energy: -620.936797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -620.936797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -620.936797 (E_RNA)
where:
Base-Base interactions energy: -293.484
where: short stacking energy: -202.968
Base-Backbone interact. energy: -0.501
local terms energy: -326.952222
where:
bonds (distance) C4'-P energy: -73.220
bonds (distance) P-C4' energy: -81.410
flat angles C4'-P-C4' energy: -90.761
flat angles P-C4'-P energy: -50.220
tors. eta vs tors. theta energy: -31.342
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 295
Temperature: 1.200000
Total energy: -450.427307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -450.427307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -450.427307 (E_RNA)
where:
Base-Base interactions energy: -174.789
where: short stacking energy: -158.995
Base-Backbone interact. energy: 0.519
local terms energy: -276.157847
where:
bonds (distance) C4'-P energy: -67.212
bonds (distance) P-C4' energy: -90.179
flat angles C4'-P-C4' energy: -68.305
flat angles P-C4'-P energy: -41.295
tors. eta vs tors. theta energy: -9.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 295
Temperature: 1.250000
Total energy: -433.397019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -433.397019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -433.397019 (E_RNA)
where:
Base-Base interactions energy: -144.751
where: short stacking energy: -138.454
Base-Backbone interact. energy: -0.526
local terms energy: -288.120049
where:
bonds (distance) C4'-P energy: -77.937
bonds (distance) P-C4' energy: -83.516
flat angles C4'-P-C4' energy: -75.640
flat angles P-C4'-P energy: -35.697
tors. eta vs tors. theta energy: -15.330
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 295
Temperature: 1.300000
Total energy: -404.498554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -404.498554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -404.498554 (E_RNA)
where:
Base-Base interactions energy: -163.725
where: short stacking energy: -124.848
Base-Backbone interact. energy: 3.729
local terms energy: -244.502689
where:
bonds (distance) C4'-P energy: -54.055
bonds (distance) P-C4' energy: -73.881
flat angles C4'-P-C4' energy: -62.810
flat angles P-C4'-P energy: -49.490
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: 10, replica: 3
=====================================
Write number: 295
Temperature: 1.350000
Total energy: -360.268759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.268759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.268759 (E_RNA)
where:
Base-Base interactions energy: -111.120
where: short stacking energy: -100.725
Base-Backbone interact. energy: 0.348
local terms energy: -249.495842
where:
bonds (distance) C4'-P energy: -89.934
bonds (distance) P-C4' energy: -86.651
flat angles C4'-P-C4' energy: -63.960
flat angles P-C4'-P energy: -26.041
tors. eta vs tors. theta energy: 17.090
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: 1
=====================================
Write number: 296
Temperature: 0.900000
Total energy: -1253.137082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1253.137082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1253.137082 (E_RNA)
where:
Base-Base interactions energy: -764.329
where: short stacking energy: -404.868
Base-Backbone interact. energy: -4.455
local terms energy: -484.352264
where:
bonds (distance) C4'-P energy: -98.869
bonds (distance) P-C4' energy: -93.445
flat angles C4'-P-C4' energy: -96.524
flat angles P-C4'-P energy: -74.212
tors. eta vs tors. theta energy: -121.302
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 296
Temperature: 0.950000
Total energy: -1130.307592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1130.307592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1130.307592 (E_RNA)
where:
Base-Base interactions energy: -666.011
where: short stacking energy: -413.438
Base-Backbone interact. energy: -1.792
local terms energy: -462.504508
where:
bonds (distance) C4'-P energy: -84.174
bonds (distance) P-C4' energy: -92.082
flat angles C4'-P-C4' energy: -106.131
flat angles P-C4'-P energy: -55.496
tors. eta vs tors. theta energy: -124.623
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: 3, replica: 6
=====================================
Write number: 296
Temperature: 1.000000
Total energy: -924.082521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -924.082521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -924.082521 (E_RNA)
where:
Base-Base interactions energy: -501.168
where: short stacking energy: -318.734
Base-Backbone interact. energy: 2.041
local terms energy: -424.956024
where:
bonds (distance) C4'-P energy: -85.670
bonds (distance) P-C4' energy: -98.707
flat angles C4'-P-C4' energy: -85.296
flat angles P-C4'-P energy: -67.041
tors. eta vs tors. theta energy: -88.242
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: 7
=====================================
Write number: 296
Temperature: 1.050000
Total energy: -813.006311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -813.006311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -813.006311 (E_RNA)
where:
Base-Base interactions energy: -411.697
where: short stacking energy: -286.463
Base-Backbone interact. energy: -1.109
local terms energy: -400.200535
where:
bonds (distance) C4'-P energy: -81.712
bonds (distance) P-C4' energy: -94.442
flat angles C4'-P-C4' energy: -99.494
flat angles P-C4'-P energy: -57.045
tors. eta vs tors. theta energy: -67.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 296
Temperature: 1.100000
Total energy: -684.074032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -684.074032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -684.074032 (E_RNA)
where:
Base-Base interactions energy: -319.085
where: short stacking energy: -232.399
Base-Backbone interact. energy: -2.283
local terms energy: -362.705625
where:
bonds (distance) C4'-P energy: -87.128
bonds (distance) P-C4' energy: -88.520
flat angles C4'-P-C4' energy: -88.319
flat angles P-C4'-P energy: -52.978
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: 8
=====================================
Write number: 296
Temperature: 1.150000
Total energy: -593.015776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -593.015776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -593.015776 (E_RNA)
where:
Base-Base interactions energy: -265.481
where: short stacking energy: -177.794
Base-Backbone interact. energy: -1.958
local terms energy: -325.576160
where:
bonds (distance) C4'-P energy: -92.417
bonds (distance) P-C4' energy: -94.190
flat angles C4'-P-C4' energy: -62.630
flat angles P-C4'-P energy: -40.970
tors. eta vs tors. theta energy: -35.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 296
Temperature: 1.200000
Total energy: -501.963269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.963269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.963269 (E_RNA)
where:
Base-Base interactions energy: -225.439
where: short stacking energy: -181.992
Base-Backbone interact. energy: -0.547
local terms energy: -275.976659
where:
bonds (distance) C4'-P energy: -78.230
bonds (distance) P-C4' energy: -84.336
flat angles C4'-P-C4' energy: -64.367
flat angles P-C4'-P energy: -32.520
tors. eta vs tors. theta energy: -16.523
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: 9
=====================================
Write number: 296
Temperature: 1.250000
Total energy: -413.889368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.889368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -413.889368 (E_RNA)
where:
Base-Base interactions energy: -146.710
where: short stacking energy: -136.224
Base-Backbone interact. energy: 2.106
local terms energy: -269.284713
where:
bonds (distance) C4'-P energy: -86.745
bonds (distance) P-C4' energy: -73.249
flat angles C4'-P-C4' energy: -71.601
flat angles P-C4'-P energy: -41.470
tors. eta vs tors. theta energy: 3.781
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: 3
=====================================
Write number: 296
Temperature: 1.300000
Total energy: -372.635867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -372.635867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -372.635867 (E_RNA)
where:
Base-Base interactions energy: -123.045
where: short stacking energy: -111.036
Base-Backbone interact. energy: 0.233
local terms energy: -249.824091
where:
bonds (distance) C4'-P energy: -73.943
bonds (distance) P-C4' energy: -90.227
flat angles C4'-P-C4' energy: -50.900
flat angles P-C4'-P energy: -38.556
tors. eta vs tors. theta energy: 3.801
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 296
Temperature: 1.350000
Total energy: -337.108311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.108311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.108311 (E_RNA)
where:
Base-Base interactions energy: -93.876
where: short stacking energy: -75.546
Base-Backbone interact. energy: 0.322
local terms energy: -243.554778
where:
bonds (distance) C4'-P energy: -77.367
bonds (distance) P-C4' energy: -83.130
flat angles C4'-P-C4' energy: -65.904
flat angles P-C4'-P energy: -38.755
tors. eta vs tors. theta energy: 21.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 297
Temperature: 0.900000
Total energy: -1268.234837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1268.234837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1268.234837 (E_RNA)
where:
Base-Base interactions energy: -786.635
where: short stacking energy: -432.571
Base-Backbone interact. energy: -1.621
local terms energy: -479.978274
where:
bonds (distance) C4'-P energy: -90.612
bonds (distance) P-C4' energy: -84.075
flat angles C4'-P-C4' energy: -94.587
flat angles P-C4'-P energy: -81.854
tors. eta vs tors. theta energy: -128.851
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: 4
=====================================
Write number: 297
Temperature: 0.950000
Total energy: -1152.726815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1152.726815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1152.726815 (E_RNA)
where:
Base-Base interactions energy: -694.559
where: short stacking energy: -398.898
Base-Backbone interact. energy: -1.402
local terms energy: -456.765402
where:
bonds (distance) C4'-P energy: -84.196
bonds (distance) P-C4' energy: -100.720
flat angles C4'-P-C4' energy: -101.559
flat angles P-C4'-P energy: -55.058
tors. eta vs tors. theta energy: -115.231
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: 6
=====================================
Write number: 297
Temperature: 1.000000
Total energy: -920.270096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -920.270096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -920.270096 (E_RNA)
where:
Base-Base interactions energy: -519.149
where: short stacking energy: -319.568
Base-Backbone interact. energy: -2.032
local terms energy: -399.089299
where:
bonds (distance) C4'-P energy: -85.366
bonds (distance) P-C4' energy: -92.605
flat angles C4'-P-C4' energy: -88.720
flat angles P-C4'-P energy: -47.653
tors. eta vs tors. theta energy: -84.745
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 297
Temperature: 1.050000
Total energy: -822.078061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -822.078061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -822.078061 (E_RNA)
where:
Base-Base interactions energy: -401.633
where: short stacking energy: -260.350
Base-Backbone interact. energy: 0.847
local terms energy: -421.291542
where:
bonds (distance) C4'-P energy: -89.716
bonds (distance) P-C4' energy: -91.682
flat angles C4'-P-C4' energy: -99.217
flat angles P-C4'-P energy: -67.856
tors. eta vs tors. theta energy: -72.821
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 297
Temperature: 1.100000
Total energy: -593.069749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -593.069749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -593.069749 (E_RNA)
where:
Base-Base interactions energy: -256.777
where: short stacking energy: -203.240
Base-Backbone interact. energy: -1.871
local terms energy: -334.421584
where:
bonds (distance) C4'-P energy: -83.861
bonds (distance) P-C4' energy: -88.228
flat angles C4'-P-C4' energy: -65.282
flat angles P-C4'-P energy: -58.850
tors. eta vs tors. theta energy: -38.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 297
Temperature: 1.150000
Total energy: -576.422141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -576.422141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -576.422141 (E_RNA)
where:
Base-Base interactions energy: -249.343
where: short stacking energy: -185.984
Base-Backbone interact. energy: -0.134
local terms energy: -326.944766
where:
bonds (distance) C4'-P energy: -84.948
bonds (distance) P-C4' energy: -86.968
flat angles C4'-P-C4' energy: -78.986
flat angles P-C4'-P energy: -53.100
tors. eta vs tors. theta energy: -22.943
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 297
Temperature: 1.200000
Total energy: -516.776726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.776726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.776726 (E_RNA)
where:
Base-Base interactions energy: -204.918
where: short stacking energy: -143.106
Base-Backbone interact. energy: 2.507
local terms energy: -314.365820
where:
bonds (distance) C4'-P energy: -77.892
bonds (distance) P-C4' energy: -82.266
flat angles C4'-P-C4' energy: -85.660
flat angles P-C4'-P energy: -48.869
tors. eta vs tors. theta energy: -19.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 297
Temperature: 1.250000
Total energy: -396.903517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -396.903517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -396.903517 (E_RNA)
where:
Base-Base interactions energy: -133.277
where: short stacking energy: -122.596
Base-Backbone interact. energy: 3.488
local terms energy: -267.114033
where:
bonds (distance) C4'-P energy: -77.799
bonds (distance) P-C4' energy: -77.828
flat angles C4'-P-C4' energy: -62.627
flat angles P-C4'-P energy: -50.673
tors. eta vs tors. theta energy: 1.814
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 297
Temperature: 1.300000
Total energy: -386.747605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -386.747605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -386.747605 (E_RNA)
where:
Base-Base interactions energy: -117.603
where: short stacking energy: -88.757
Base-Backbone interact. energy: 2.049
local terms energy: -271.193521
where:
bonds (distance) C4'-P energy: -73.779
bonds (distance) P-C4' energy: -79.758
flat angles C4'-P-C4' energy: -78.452
flat angles P-C4'-P energy: -32.220
tors. eta vs tors. theta energy: -6.984
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 297
Temperature: 1.350000
Total energy: -365.761575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.761575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.761575 (E_RNA)
where:
Base-Base interactions energy: -116.484
where: short stacking energy: -108.307
Base-Backbone interact. energy: 0.680
local terms energy: -249.958102
where:
bonds (distance) C4'-P energy: -83.215
bonds (distance) P-C4' energy: -75.972
flat angles C4'-P-C4' energy: -50.307
flat angles P-C4'-P energy: -51.130
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: 1, replica: 1
=====================================
Write number: 298
Temperature: 0.900000
Total energy: -1283.349768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1283.349768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1283.349768 (E_RNA)
where:
Base-Base interactions energy: -804.460
where: short stacking energy: -438.162
Base-Backbone interact. energy: -1.474
local terms energy: -477.415238
where:
bonds (distance) C4'-P energy: -83.045
bonds (distance) P-C4' energy: -84.998
flat angles C4'-P-C4' energy: -115.927
flat angles P-C4'-P energy: -61.423
tors. eta vs tors. theta energy: -132.023
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 298
Temperature: 0.950000
Total energy: -1163.454181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1163.454181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1163.454181 (E_RNA)
where:
Base-Base interactions energy: -687.997
where: short stacking energy: -388.912
Base-Backbone interact. energy: 4.369
local terms energy: -479.826861
where:
bonds (distance) C4'-P energy: -87.216
bonds (distance) P-C4' energy: -89.987
flat angles C4'-P-C4' energy: -108.692
flat angles P-C4'-P energy: -69.534
tors. eta vs tors. theta energy: -124.397
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 298
Temperature: 1.000000
Total energy: -944.923112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -944.923112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -944.923112 (E_RNA)
where:
Base-Base interactions energy: -529.411
where: short stacking energy: -342.267
Base-Backbone interact. energy: -0.191
local terms energy: -415.321292
where:
bonds (distance) C4'-P energy: -87.675
bonds (distance) P-C4' energy: -88.955
flat angles C4'-P-C4' energy: -93.242
flat angles P-C4'-P energy: -54.399
tors. eta vs tors. theta energy: -91.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 298
Temperature: 1.050000
Total energy: -796.805167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -796.805167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -796.805167 (E_RNA)
where:
Base-Base interactions energy: -416.148
where: short stacking energy: -292.197
Base-Backbone interact. energy: -0.948
local terms energy: -379.709500
where:
bonds (distance) C4'-P energy: -73.131
bonds (distance) P-C4' energy: -94.324
flat angles C4'-P-C4' energy: -95.809
flat angles P-C4'-P energy: -55.194
tors. eta vs tors. theta energy: -61.251
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: 298
Temperature: 1.100000
Total energy: -608.044499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -608.044499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -608.044499 (E_RNA)
where:
Base-Base interactions energy: -262.042
where: short stacking energy: -206.178
Base-Backbone interact. energy: 4.164
local terms energy: -350.165748
where:
bonds (distance) C4'-P energy: -82.257
bonds (distance) P-C4' energy: -87.505
flat angles C4'-P-C4' energy: -90.814
flat angles P-C4'-P energy: -51.671
tors. eta vs tors. theta energy: -37.919
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: 5
=====================================
Write number: 298
Temperature: 1.150000
Total energy: -543.474087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.474087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.474087 (E_RNA)
where:
Base-Base interactions energy: -251.978
where: short stacking energy: -186.052
Base-Backbone interact. energy: -1.493
local terms energy: -290.003117
where:
bonds (distance) C4'-P energy: -75.471
bonds (distance) P-C4' energy: -79.855
flat angles C4'-P-C4' energy: -81.038
flat angles P-C4'-P energy: -43.940
tors. eta vs tors. theta energy: -9.699
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 298
Temperature: 1.200000
Total energy: -504.957789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.957789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.957789 (E_RNA)
where:
Base-Base interactions energy: -209.438
where: short stacking energy: -155.695
Base-Backbone interact. energy: -0.941
local terms energy: -294.578837
where:
bonds (distance) C4'-P energy: -85.023
bonds (distance) P-C4' energy: -87.943
flat angles C4'-P-C4' energy: -74.961
flat angles P-C4'-P energy: -35.018
tors. eta vs tors. theta energy: -11.634
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 298
Temperature: 1.250000
Total energy: -420.897901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.897901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -420.897901 (E_RNA)
where:
Base-Base interactions energy: -147.440
where: short stacking energy: -110.026
Base-Backbone interact. energy: -0.219
local terms energy: -273.238767
where:
bonds (distance) C4'-P energy: -83.489
bonds (distance) P-C4' energy: -84.626
flat angles C4'-P-C4' energy: -67.855
flat angles P-C4'-P energy: -47.916
tors. eta vs tors. theta energy: 10.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 298
Temperature: 1.300000
Total energy: -385.288483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -385.288483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -385.288483 (E_RNA)
where:
Base-Base interactions energy: -144.315
where: short stacking energy: -118.340
Base-Backbone interact. energy: -1.220
local terms energy: -239.754113
where:
bonds (distance) C4'-P energy: -76.872
bonds (distance) P-C4' energy: -74.129
flat angles C4'-P-C4' energy: -61.411
flat angles P-C4'-P energy: -36.412
tors. eta vs tors. theta energy: 9.070
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: 3
=====================================
Write number: 298
Temperature: 1.350000
Total energy: -373.614866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.614866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.614866 (E_RNA)
where:
Base-Base interactions energy: -109.425
where: short stacking energy: -101.644
Base-Backbone interact. energy: 2.280
local terms energy: -266.470058
where:
bonds (distance) C4'-P energy: -73.737
bonds (distance) P-C4' energy: -82.011
flat angles C4'-P-C4' energy: -64.810
flat angles P-C4'-P energy: -49.096
tors. eta vs tors. theta energy: 3.185
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 299
Temperature: 0.900000
Total energy: -1288.534168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1288.534168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1288.534168 (E_RNA)
where:
Base-Base interactions energy: -796.963
where: short stacking energy: -412.622
Base-Backbone interact. energy: -0.551
local terms energy: -491.020516
where:
bonds (distance) C4'-P energy: -95.577
bonds (distance) P-C4' energy: -100.514
flat angles C4'-P-C4' energy: -109.714
flat angles P-C4'-P energy: -67.988
tors. eta vs tors. theta energy: -117.227
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: 299
Temperature: 0.950000
Total energy: -1138.655225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1138.655225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1138.655225 (E_RNA)
where:
Base-Base interactions energy: -679.195
where: short stacking energy: -401.941
Base-Backbone interact. energy: -0.039
local terms energy: -459.421241
where:
bonds (distance) C4'-P energy: -85.838
bonds (distance) P-C4' energy: -98.692
flat angles C4'-P-C4' energy: -90.555
flat angles P-C4'-P energy: -65.574
tors. eta vs tors. theta energy: -118.762
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: 6
=====================================
Write number: 299
Temperature: 1.000000
Total energy: -903.284748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -903.284748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -903.284748 (E_RNA)
where:
Base-Base interactions energy: -495.997
where: short stacking energy: -288.845
Base-Backbone interact. energy: -1.228
local terms energy: -406.059436
where:
bonds (distance) C4'-P energy: -98.535
bonds (distance) P-C4' energy: -79.143
flat angles C4'-P-C4' energy: -93.419
flat angles P-C4'-P energy: -66.950
tors. eta vs tors. theta energy: -68.013
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: 7
=====================================
Write number: 299
Temperature: 1.050000
Total energy: -769.782089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -769.782089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -769.782089 (E_RNA)
where:
Base-Base interactions energy: -404.098
where: short stacking energy: -265.040
Base-Backbone interact. energy: -1.160
local terms energy: -364.524747
where:
bonds (distance) C4'-P energy: -86.753
bonds (distance) P-C4' energy: -93.535
flat angles C4'-P-C4' energy: -80.974
flat angles P-C4'-P energy: -49.258
tors. eta vs tors. theta energy: -54.004
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 299
Temperature: 1.100000
Total energy: -603.023445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -603.023445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -603.023445 (E_RNA)
where:
Base-Base interactions energy: -269.681
where: short stacking energy: -180.514
Base-Backbone interact. energy: -0.586
local terms energy: -332.756269
where:
bonds (distance) C4'-P energy: -88.445
bonds (distance) P-C4' energy: -90.159
flat angles C4'-P-C4' energy: -87.366
flat angles P-C4'-P energy: -52.236
tors. eta vs tors. theta energy: -14.550
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 299
Temperature: 1.150000
Total energy: -530.645939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.645939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.645939 (E_RNA)
where:
Base-Base interactions energy: -225.538
where: short stacking energy: -182.381
Base-Backbone interact. energy: -0.411
local terms energy: -304.696824
where:
bonds (distance) C4'-P energy: -76.337
bonds (distance) P-C4' energy: -79.122
flat angles C4'-P-C4' energy: -77.898
flat angles P-C4'-P energy: -52.101
tors. eta vs tors. theta energy: -19.239
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: 299
Temperature: 1.200000
Total energy: -503.519220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -503.519220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.519220 (E_RNA)
where:
Base-Base interactions energy: -216.064
where: short stacking energy: -169.103
Base-Backbone interact. energy: -0.832
local terms energy: -286.623151
where:
bonds (distance) C4'-P energy: -70.647
bonds (distance) P-C4' energy: -87.358
flat angles C4'-P-C4' energy: -83.016
flat angles P-C4'-P energy: -30.664
tors. eta vs tors. theta energy: -14.938
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 299
Temperature: 1.250000
Total energy: -438.638603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -438.638603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -438.638603 (E_RNA)
where:
Base-Base interactions energy: -147.754
where: short stacking energy: -139.766
Base-Backbone interact. energy: 3.100
local terms energy: -293.984754
where:
bonds (distance) C4'-P energy: -76.840
bonds (distance) P-C4' energy: -86.501
flat angles C4'-P-C4' energy: -81.856
flat angles P-C4'-P energy: -42.891
tors. eta vs tors. theta energy: -5.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 299
Temperature: 1.300000
Total energy: -380.583536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -380.583536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -380.583536 (E_RNA)
where:
Base-Base interactions energy: -105.803
where: short stacking energy: -90.817
Base-Backbone interact. energy: 1.964
local terms energy: -276.744672
where:
bonds (distance) C4'-P energy: -90.051
bonds (distance) P-C4' energy: -91.611
flat angles C4'-P-C4' energy: -67.905
flat angles P-C4'-P energy: -41.227
tors. eta vs tors. theta energy: 14.050
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: 10, replica: 3
=====================================
Write number: 299
Temperature: 1.350000
Total energy: -351.002729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.002729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.002729 (E_RNA)
where:
Base-Base interactions energy: -85.467
where: short stacking energy: -83.771
Base-Backbone interact. energy: -1.123
local terms energy: -264.412230
where:
bonds (distance) C4'-P energy: -75.381
bonds (distance) P-C4' energy: -90.215
flat angles C4'-P-C4' energy: -58.631
flat angles P-C4'-P energy: -37.508
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: 1, replica: 1
=====================================
Write number: 300
Temperature: 0.900000
Total energy: -1302.218225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1302.218225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1302.218225 (E_RNA)
where:
Base-Base interactions energy: -817.530
where: short stacking energy: -443.231
Base-Backbone interact. energy: -1.075
local terms energy: -483.613333
where:
bonds (distance) C4'-P energy: -93.871
bonds (distance) P-C4' energy: -98.240
flat angles C4'-P-C4' energy: -101.959
flat angles P-C4'-P energy: -61.913
tors. eta vs tors. theta energy: -127.630
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 300
Temperature: 0.950000
Total energy: -1138.637364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1138.637364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1138.637364 (E_RNA)
where:
Base-Base interactions energy: -669.181
where: short stacking energy: -389.774
Base-Backbone interact. energy: -0.931
local terms energy: -468.524672
where:
bonds (distance) C4'-P energy: -86.655
bonds (distance) P-C4' energy: -96.532
flat angles C4'-P-C4' energy: -99.202
flat angles P-C4'-P energy: -66.099
tors. eta vs tors. theta energy: -120.038
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: 6
=====================================
Write number: 300
Temperature: 1.000000
Total energy: -941.069616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -941.069616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -941.069616 (E_RNA)
where:
Base-Base interactions energy: -505.075
where: short stacking energy: -313.953
Base-Backbone interact. energy: -1.264
local terms energy: -434.730206
where:
bonds (distance) C4'-P energy: -91.631
bonds (distance) P-C4' energy: -106.542
flat angles C4'-P-C4' energy: -98.422
flat angles P-C4'-P energy: -52.176
tors. eta vs tors. theta energy: -85.961
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 300
Temperature: 1.050000
Total energy: -777.893108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -777.893108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -777.893108 (E_RNA)
where:
Base-Base interactions energy: -407.448
where: short stacking energy: -279.928
Base-Backbone interact. energy: -0.334
local terms energy: -370.110247
where:
bonds (distance) C4'-P energy: -84.739
bonds (distance) P-C4' energy: -94.043
flat angles C4'-P-C4' energy: -79.290
flat angles P-C4'-P energy: -46.249
tors. eta vs tors. theta energy: -65.789
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 300
Temperature: 1.100000
Total energy: -625.194649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -625.194649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -625.194649 (E_RNA)
where:
Base-Base interactions energy: -276.766
where: short stacking energy: -207.313
Base-Backbone interact. energy: 1.403
local terms energy: -349.832184
where:
bonds (distance) C4'-P energy: -89.934
bonds (distance) P-C4' energy: -93.740
flat angles C4'-P-C4' energy: -84.383
flat angles P-C4'-P energy: -41.680
tors. eta vs tors. theta energy: -40.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 300
Temperature: 1.150000
Total energy: -526.179049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.179049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.179049 (E_RNA)
where:
Base-Base interactions energy: -208.495
where: short stacking energy: -165.551
Base-Backbone interact. energy: -1.401
local terms energy: -316.283203
where:
bonds (distance) C4'-P energy: -77.496
bonds (distance) P-C4' energy: -92.595
flat angles C4'-P-C4' energy: -76.594
flat angles P-C4'-P energy: -57.608
tors. eta vs tors. theta energy: -11.991
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 300
Temperature: 1.200000
Total energy: -492.044625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.044625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.044625 (E_RNA)
where:
Base-Base interactions energy: -215.063
where: short stacking energy: -144.130
Base-Backbone interact. energy: 1.428
local terms energy: -278.409798
where:
bonds (distance) C4'-P energy: -69.123
bonds (distance) P-C4' energy: -92.688
flat angles C4'-P-C4' energy: -70.350
flat angles P-C4'-P energy: -48.809
tors. eta vs tors. theta energy: 2.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 300
Temperature: 1.250000
Total energy: -401.043160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -401.043160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -401.043160 (E_RNA)
where:
Base-Base interactions energy: -117.566
where: short stacking energy: -109.369
Base-Backbone interact. energy: 4.741
local terms energy: -288.217461
where:
bonds (distance) C4'-P energy: -89.496
bonds (distance) P-C4' energy: -89.569
flat angles C4'-P-C4' energy: -73.639
flat angles P-C4'-P energy: -49.058
tors. eta vs tors. theta energy: 13.545
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: 3
=====================================
Write number: 300
Temperature: 1.300000
Total energy: -369.772400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.772400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.772400 (E_RNA)
where:
Base-Base interactions energy: -130.680
where: short stacking energy: -112.495
Base-Backbone interact. energy: -0.501
local terms energy: -238.591923
where:
bonds (distance) C4'-P energy: -76.205
bonds (distance) P-C4' energy: -82.989
flat angles C4'-P-C4' energy: -77.399
flat angles P-C4'-P energy: -13.074
tors. eta vs tors. theta energy: 11.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 300
Temperature: 1.350000
Total energy: -335.679725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.679725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.679725 (E_RNA)
where:
Base-Base interactions energy: -98.111
where: short stacking energy: -93.864
Base-Backbone interact. energy: -1.546
local terms energy: -236.022985
where:
bonds (distance) C4'-P energy: -72.327
bonds (distance) P-C4' energy: -81.358
flat angles C4'-P-C4' energy: -68.214
flat angles P-C4'-P energy: -34.712
tors. eta vs tors. theta energy: 20.589
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: 1
=====================================
Write number: 301
Temperature: 0.900000
Total energy: -1297.151967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1297.151967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1297.151967 (E_RNA)
where:
Base-Base interactions energy: -811.695
where: short stacking energy: -419.080
Base-Backbone interact. energy: -2.950
local terms energy: -482.507897
where:
bonds (distance) C4'-P energy: -90.418
bonds (distance) P-C4' energy: -97.283
flat angles C4'-P-C4' energy: -103.492
flat angles P-C4'-P energy: -60.615
tors. eta vs tors. theta energy: -130.701
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: 4
=====================================
Write number: 301
Temperature: 0.950000
Total energy: -1167.010429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1167.010429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1167.010429 (E_RNA)
where:
Base-Base interactions energy: -710.581
where: short stacking energy: -398.285
Base-Backbone interact. energy: 1.694
local terms energy: -458.123085
where:
bonds (distance) C4'-P energy: -88.871
bonds (distance) P-C4' energy: -92.289
flat angles C4'-P-C4' energy: -102.404
flat angles P-C4'-P energy: -59.333
tors. eta vs tors. theta energy: -115.227
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 301
Temperature: 1.000000
Total energy: -968.699764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -968.699764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -968.699764 (E_RNA)
where:
Base-Base interactions energy: -535.414
where: short stacking energy: -335.398
Base-Backbone interact. energy: -1.005
local terms energy: -432.280820
where:
bonds (distance) C4'-P energy: -96.182
bonds (distance) P-C4' energy: -91.793
flat angles C4'-P-C4' energy: -85.380
flat angles P-C4'-P energy: -63.028
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: 4, replica: 7
=====================================
Write number: 301
Temperature: 1.050000
Total energy: -781.904031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -781.904031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -781.904031 (E_RNA)
where:
Base-Base interactions energy: -390.972
where: short stacking energy: -266.062
Base-Backbone interact. energy: -3.067
local terms energy: -387.865302
where:
bonds (distance) C4'-P energy: -91.318
bonds (distance) P-C4' energy: -92.484
flat angles C4'-P-C4' energy: -78.207
flat angles P-C4'-P energy: -55.183
tors. eta vs tors. theta energy: -70.674
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: 5, replica: 2
=====================================
Write number: 301
Temperature: 1.100000
Total energy: -611.982073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -611.982073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -611.982073 (E_RNA)
where:
Base-Base interactions energy: -258.238
where: short stacking energy: -208.030
Base-Backbone interact. energy: 1.559
local terms energy: -355.303361
where:
bonds (distance) C4'-P energy: -86.768
bonds (distance) P-C4' energy: -99.267
flat angles C4'-P-C4' energy: -84.097
flat angles P-C4'-P energy: -57.807
tors. eta vs tors. theta energy: -27.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 301
Temperature: 1.150000
Total energy: -560.027052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -560.027052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -560.027052 (E_RNA)
where:
Base-Base interactions energy: -227.333
where: short stacking energy: -168.974
Base-Backbone interact. energy: -0.922
local terms energy: -331.771911
where:
bonds (distance) C4'-P energy: -81.891
bonds (distance) P-C4' energy: -100.517
flat angles C4'-P-C4' energy: -88.671
flat angles P-C4'-P energy: -45.335
tors. eta vs tors. theta energy: -15.357
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 301
Temperature: 1.200000
Total energy: -488.884409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.884409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.884409 (E_RNA)
where:
Base-Base interactions energy: -194.301
where: short stacking energy: -163.253
Base-Backbone interact. energy: -1.503
local terms energy: -293.079983
where:
bonds (distance) C4'-P energy: -83.097
bonds (distance) P-C4' energy: -85.044
flat angles C4'-P-C4' energy: -72.103
flat angles P-C4'-P energy: -31.629
tors. eta vs tors. theta energy: -21.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 301
Temperature: 1.250000
Total energy: -437.102726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -437.102726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -437.102726 (E_RNA)
where:
Base-Base interactions energy: -158.417
where: short stacking energy: -132.860
Base-Backbone interact. energy: -1.092
local terms energy: -277.593299
where:
bonds (distance) C4'-P energy: -75.116
bonds (distance) P-C4' energy: -83.612
flat angles C4'-P-C4' energy: -58.634
flat angles P-C4'-P energy: -36.502
tors. eta vs tors. theta energy: -23.730
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: 3
=====================================
Write number: 301
Temperature: 1.300000
Total energy: -379.699025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -379.699025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -379.699025 (E_RNA)
where:
Base-Base interactions energy: -115.368
where: short stacking energy: -108.232
Base-Backbone interact. energy: -2.143
local terms energy: -262.187889
where:
bonds (distance) C4'-P energy: -79.196
bonds (distance) P-C4' energy: -75.587
flat angles C4'-P-C4' energy: -64.144
flat angles P-C4'-P energy: -49.455
tors. eta vs tors. theta energy: 6.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 301
Temperature: 1.350000
Total energy: -352.500790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.500790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.500790 (E_RNA)
where:
Base-Base interactions energy: -117.413
where: short stacking energy: -116.017
Base-Backbone interact. energy: 2.314
local terms energy: -237.402247
where:
bonds (distance) C4'-P energy: -82.350
bonds (distance) P-C4' energy: -68.654
flat angles C4'-P-C4' energy: -57.236
flat angles P-C4'-P energy: -38.282
tors. eta vs tors. theta energy: 9.120
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 302
Temperature: 0.900000
Total energy: -1277.696165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1277.696165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1277.696165 (E_RNA)
where:
Base-Base interactions energy: -786.869
where: short stacking energy: -423.557
Base-Backbone interact. energy: 0.608
local terms energy: -491.435318
where:
bonds (distance) C4'-P energy: -96.286
bonds (distance) P-C4' energy: -101.193
flat angles C4'-P-C4' energy: -99.527
flat angles P-C4'-P energy: -73.099
tors. eta vs tors. theta energy: -121.330
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 302
Temperature: 0.950000
Total energy: -1172.418067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1172.418067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1172.418067 (E_RNA)
where:
Base-Base interactions energy: -697.504
where: short stacking energy: -393.785
Base-Backbone interact. energy: 0.086
local terms energy: -475.000471
where:
bonds (distance) C4'-P energy: -100.449
bonds (distance) P-C4' energy: -80.080
flat angles C4'-P-C4' energy: -104.288
flat angles P-C4'-P energy: -58.243
tors. eta vs tors. theta energy: -131.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 302
Temperature: 1.000000
Total energy: -917.862827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -917.862827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -917.862827 (E_RNA)
where:
Base-Base interactions energy: -492.512
where: short stacking energy: -300.489
Base-Backbone interact. energy: -1.822
local terms energy: -423.528267
where:
bonds (distance) C4'-P energy: -95.365
bonds (distance) P-C4' energy: -93.393
flat angles C4'-P-C4' energy: -91.934
flat angles P-C4'-P energy: -73.564
tors. eta vs tors. theta energy: -69.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 302
Temperature: 1.050000
Total energy: -786.190637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -786.190637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -786.190637 (E_RNA)
where:
Base-Base interactions energy: -410.772
where: short stacking energy: -275.586
Base-Backbone interact. energy: 0.864
local terms energy: -376.282808
where:
bonds (distance) C4'-P energy: -85.434
bonds (distance) P-C4' energy: -90.492
flat angles C4'-P-C4' energy: -101.089
flat angles P-C4'-P energy: -36.346
tors. eta vs tors. theta energy: -62.921
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 302
Temperature: 1.100000
Total energy: -693.499263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -693.499263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -693.499263 (E_RNA)
where:
Base-Base interactions energy: -335.346
where: short stacking energy: -220.483
Base-Backbone interact. energy: -0.035
local terms energy: -358.117746
where:
bonds (distance) C4'-P energy: -93.223
bonds (distance) P-C4' energy: -88.040
flat angles C4'-P-C4' energy: -90.942
flat angles P-C4'-P energy: -48.584
tors. eta vs tors. theta energy: -37.330
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: 302
Temperature: 1.150000
Total energy: -548.646071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.646071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.646071 (E_RNA)
where:
Base-Base interactions energy: -252.784
where: short stacking energy: -188.776
Base-Backbone interact. energy: 9.764
local terms energy: -305.625677
where:
bonds (distance) C4'-P energy: -88.032
bonds (distance) P-C4' energy: -84.624
flat angles C4'-P-C4' energy: -71.570
flat angles P-C4'-P energy: -48.342
tors. eta vs tors. theta energy: -13.058
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: 7, replica: 5
=====================================
Write number: 302
Temperature: 1.200000
Total energy: -530.624653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.624653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.624653 (E_RNA)
where:
Base-Base interactions energy: -220.429
where: short stacking energy: -166.377
Base-Backbone interact. energy: 1.277
local terms energy: -311.472335
where:
bonds (distance) C4'-P energy: -82.423
bonds (distance) P-C4' energy: -79.822
flat angles C4'-P-C4' energy: -88.433
flat angles P-C4'-P energy: -52.740
tors. eta vs tors. theta energy: -8.054
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 302
Temperature: 1.250000
Total energy: -434.966976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -434.966976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -434.966976 (E_RNA)
where:
Base-Base interactions energy: -149.399
where: short stacking energy: -138.811
Base-Backbone interact. energy: -0.052
local terms energy: -285.515875
where:
bonds (distance) C4'-P energy: -72.913
bonds (distance) P-C4' energy: -73.083
flat angles C4'-P-C4' energy: -71.279
flat angles P-C4'-P energy: -60.565
tors. eta vs tors. theta energy: -7.676
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 302
Temperature: 1.300000
Total energy: -386.061103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -386.061103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -386.061103 (E_RNA)
where:
Base-Base interactions energy: -141.572
where: short stacking energy: -130.594
Base-Backbone interact. energy: 2.386
local terms energy: -246.875036
where:
bonds (distance) C4'-P energy: -77.946
bonds (distance) P-C4' energy: -74.777
flat angles C4'-P-C4' energy: -69.643
flat angles P-C4'-P energy: -27.126
tors. eta vs tors. theta energy: 2.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 302
Temperature: 1.350000
Total energy: -335.426917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.426917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.426917 (E_RNA)
where:
Base-Base interactions energy: -103.668
where: short stacking energy: -88.053
Base-Backbone interact. energy: 2.467
local terms energy: -234.226321
where:
bonds (distance) C4'-P energy: -73.605
bonds (distance) P-C4' energy: -75.828
flat angles C4'-P-C4' energy: -61.863
flat angles P-C4'-P energy: -37.137
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: 1, replica: 1
=====================================
Write number: 303
Temperature: 0.900000
Total energy: -1269.767285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1269.767285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1269.767285 (E_RNA)
where:
Base-Base interactions energy: -767.463
where: short stacking energy: -408.956
Base-Backbone interact. energy: -2.487
local terms energy: -499.816676
where:
bonds (distance) C4'-P energy: -89.657
bonds (distance) P-C4' energy: -101.412
flat angles C4'-P-C4' energy: -108.811
flat angles P-C4'-P energy: -79.428
tors. eta vs tors. theta energy: -120.510
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: 303
Temperature: 0.950000
Total energy: -1184.247446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1184.247446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1184.247446 (E_RNA)
where:
Base-Base interactions energy: -724.440
where: short stacking energy: -392.393
Base-Backbone interact. energy: 1.365
local terms energy: -461.172814
where:
bonds (distance) C4'-P energy: -92.958
bonds (distance) P-C4' energy: -95.338
flat angles C4'-P-C4' energy: -97.281
flat angles P-C4'-P energy: -58.986
tors. eta vs tors. theta energy: -116.610
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: 6
=====================================
Write number: 303
Temperature: 1.000000
Total energy: -913.192952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -913.192952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -913.192952 (E_RNA)
where:
Base-Base interactions energy: -502.958
where: short stacking energy: -324.089
Base-Backbone interact. energy: -2.041
local terms energy: -408.194088
where:
bonds (distance) C4'-P energy: -98.027
bonds (distance) P-C4' energy: -81.839
flat angles C4'-P-C4' energy: -73.472
flat angles P-C4'-P energy: -64.480
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: 4, replica: 7
=====================================
Write number: 303
Temperature: 1.050000
Total energy: -779.029269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -779.029269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -779.029269 (E_RNA)
where:
Base-Base interactions energy: -413.554
where: short stacking energy: -269.031
Base-Backbone interact. energy: 0.239
local terms energy: -365.714719
where:
bonds (distance) C4'-P energy: -81.503
bonds (distance) P-C4' energy: -101.101
flat angles C4'-P-C4' energy: -91.624
flat angles P-C4'-P energy: -48.727
tors. eta vs tors. theta energy: -42.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 303
Temperature: 1.100000
Total energy: -654.791517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -654.791517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -654.791517 (E_RNA)
where:
Base-Base interactions energy: -316.324
where: short stacking energy: -231.448
Base-Backbone interact. energy: -0.600
local terms energy: -337.867412
where:
bonds (distance) C4'-P energy: -78.554
bonds (distance) P-C4' energy: -82.342
flat angles C4'-P-C4' energy: -100.146
flat angles P-C4'-P energy: -50.949
tors. eta vs tors. theta energy: -25.875
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: 2
=====================================
Write number: 303
Temperature: 1.150000
Total energy: -537.728774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.728774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.728774 (E_RNA)
where:
Base-Base interactions energy: -212.155
where: short stacking energy: -158.813
Base-Backbone interact. energy: 1.554
local terms energy: -327.127805
where:
bonds (distance) C4'-P energy: -84.592
bonds (distance) P-C4' energy: -89.846
flat angles C4'-P-C4' energy: -70.757
flat angles P-C4'-P energy: -55.802
tors. eta vs tors. theta energy: -26.130
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 303
Temperature: 1.200000
Total energy: -513.088148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.088148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.088148 (E_RNA)
where:
Base-Base interactions energy: -204.832
where: short stacking energy: -157.059
Base-Backbone interact. energy: -1.772
local terms energy: -306.484006
where:
bonds (distance) C4'-P energy: -79.010
bonds (distance) P-C4' energy: -83.967
flat angles C4'-P-C4' energy: -75.399
flat angles P-C4'-P energy: -37.679
tors. eta vs tors. theta energy: -30.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 303
Temperature: 1.250000
Total energy: -422.525226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -422.525226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -422.525226 (E_RNA)
where:
Base-Base interactions energy: -139.626
where: short stacking energy: -128.463
Base-Backbone interact. energy: -1.091
local terms energy: -281.808529
where:
bonds (distance) C4'-P energy: -90.681
bonds (distance) P-C4' energy: -83.760
flat angles C4'-P-C4' energy: -66.640
flat angles P-C4'-P energy: -48.725
tors. eta vs tors. theta energy: 7.997
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 303
Temperature: 1.300000
Total energy: -374.224847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -374.224847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -374.224847 (E_RNA)
where:
Base-Base interactions energy: -123.825
where: short stacking energy: -109.272
Base-Backbone interact. energy: 1.068
local terms energy: -251.467143
where:
bonds (distance) C4'-P energy: -67.109
bonds (distance) P-C4' energy: -88.706
flat angles C4'-P-C4' energy: -74.228
flat angles P-C4'-P energy: -36.731
tors. eta vs tors. theta energy: 15.307
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 303
Temperature: 1.350000
Total energy: -340.526544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.526544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.526544 (E_RNA)
where:
Base-Base interactions energy: -105.234
where: short stacking energy: -95.666
Base-Backbone interact. energy: 1.587
local terms energy: -236.879662
where:
bonds (distance) C4'-P energy: -75.615
bonds (distance) P-C4' energy: -87.037
flat angles C4'-P-C4' energy: -60.362
flat angles P-C4'-P energy: -35.749
tors. eta vs tors. theta energy: 21.883
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 304
Temperature: 0.900000
Total energy: -1270.076678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1270.076678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1270.076678 (E_RNA)
where:
Base-Base interactions energy: -786.459
where: short stacking energy: -427.270
Base-Backbone interact. energy: -3.150
local terms energy: -480.467893
where:
bonds (distance) C4'-P energy: -88.573
bonds (distance) P-C4' energy: -93.821
flat angles C4'-P-C4' energy: -99.526
flat angles P-C4'-P energy: -71.722
tors. eta vs tors. theta energy: -126.825
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: 4
=====================================
Write number: 304
Temperature: 0.950000
Total energy: -1178.933107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1178.933107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1178.933107 (E_RNA)
where:
Base-Base interactions energy: -706.422
where: short stacking energy: -399.165
Base-Backbone interact. energy: -0.241
local terms energy: -472.269951
where:
bonds (distance) C4'-P energy: -86.011
bonds (distance) P-C4' energy: -93.579
flat angles C4'-P-C4' energy: -105.585
flat angles P-C4'-P energy: -62.523
tors. eta vs tors. theta energy: -124.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 304
Temperature: 1.000000
Total energy: -938.124969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -938.124969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -938.124969 (E_RNA)
where:
Base-Base interactions energy: -543.524
where: short stacking energy: -328.501
Base-Backbone interact. energy: -1.803
local terms energy: -392.798484
where:
bonds (distance) C4'-P energy: -73.021
bonds (distance) P-C4' energy: -79.815
flat angles C4'-P-C4' energy: -98.309
flat angles P-C4'-P energy: -62.984
tors. eta vs tors. theta energy: -78.670
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: 4, replica: 7
=====================================
Write number: 304
Temperature: 1.050000
Total energy: -772.759521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -772.759521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -772.759521 (E_RNA)
where:
Base-Base interactions energy: -395.853
where: short stacking energy: -272.421
Base-Backbone interact. energy: 0.386
local terms energy: -377.292824
where:
bonds (distance) C4'-P energy: -86.023
bonds (distance) P-C4' energy: -100.382
flat angles C4'-P-C4' energy: -88.187
flat angles P-C4'-P energy: -49.075
tors. eta vs tors. theta energy: -53.625
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: 8
=====================================
Write number: 304
Temperature: 1.100000
Total energy: -637.484409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -637.484409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -637.484409 (E_RNA)
where:
Base-Base interactions energy: -286.256
where: short stacking energy: -187.250
Base-Backbone interact. energy: 1.929
local terms energy: -353.156488
where:
bonds (distance) C4'-P energy: -98.718
bonds (distance) P-C4' energy: -93.124
flat angles C4'-P-C4' energy: -82.446
flat angles P-C4'-P energy: -63.972
tors. eta vs tors. theta energy: -14.896
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: 6, replica: 2
=====================================
Write number: 304
Temperature: 1.150000
Total energy: -546.159629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.159629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.159629 (E_RNA)
where:
Base-Base interactions energy: -221.893
where: short stacking energy: -154.000
Base-Backbone interact. energy: -2.254
local terms energy: -322.012982
where:
bonds (distance) C4'-P energy: -79.126
bonds (distance) P-C4' energy: -89.305
flat angles C4'-P-C4' energy: -85.908
flat angles P-C4'-P energy: -51.418
tors. eta vs tors. theta energy: -16.256
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 304
Temperature: 1.200000
Total energy: -451.228059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -451.228059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -451.228059 (E_RNA)
where:
Base-Base interactions energy: -164.892
where: short stacking energy: -125.043
Base-Backbone interact. energy: -1.045
local terms energy: -285.291042
where:
bonds (distance) C4'-P energy: -66.352
bonds (distance) P-C4' energy: -96.770
flat angles C4'-P-C4' energy: -60.311
flat angles P-C4'-P energy: -57.810
tors. eta vs tors. theta energy: -4.048
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: 5
=====================================
Write number: 304
Temperature: 1.250000
Total energy: -466.531041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -466.531041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -466.531041 (E_RNA)
where:
Base-Base interactions energy: -193.061
where: short stacking energy: -133.887
Base-Backbone interact. energy: -0.371
local terms energy: -273.099780
where:
bonds (distance) C4'-P energy: -84.210
bonds (distance) P-C4' energy: -73.114
flat angles C4'-P-C4' energy: -65.784
flat angles P-C4'-P energy: -50.337
tors. eta vs tors. theta energy: 0.345
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 304
Temperature: 1.300000
Total energy: -363.208990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.208990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.208990 (E_RNA)
where:
Base-Base interactions energy: -114.235
where: short stacking energy: -101.684
Base-Backbone interact. energy: 0.113
local terms energy: -249.086168
where:
bonds (distance) C4'-P energy: -83.405
bonds (distance) P-C4' energy: -82.959
flat angles C4'-P-C4' energy: -52.416
flat angles P-C4'-P energy: -41.011
tors. eta vs tors. theta energy: 10.705
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 304
Temperature: 1.350000
Total energy: -351.956897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.956897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.956897 (E_RNA)
where:
Base-Base interactions energy: -109.639
where: short stacking energy: -91.797
Base-Backbone interact. energy: 0.792
local terms energy: -243.110076
where:
bonds (distance) C4'-P energy: -79.828
bonds (distance) P-C4' energy: -85.056
flat angles C4'-P-C4' energy: -52.158
flat angles P-C4'-P energy: -37.932
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: 1, replica: 1
=====================================
Write number: 305
Temperature: 0.900000
Total energy: -1271.801006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1271.801006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1271.801006 (E_RNA)
where:
Base-Base interactions energy: -794.868
where: short stacking energy: -420.461
Base-Backbone interact. energy: -2.429
local terms energy: -474.504109
where:
bonds (distance) C4'-P energy: -88.113
bonds (distance) P-C4' energy: -91.502
flat angles C4'-P-C4' energy: -102.465
flat angles P-C4'-P energy: -66.062
tors. eta vs tors. theta energy: -126.363
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: 2, replica: 4
=====================================
Write number: 305
Temperature: 0.950000
Total energy: -1147.743419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1147.743419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1147.743419 (E_RNA)
where:
Base-Base interactions energy: -680.312
where: short stacking energy: -382.673
Base-Backbone interact. energy: -2.420
local terms energy: -465.011921
where:
bonds (distance) C4'-P energy: -87.797
bonds (distance) P-C4' energy: -96.368
flat angles C4'-P-C4' energy: -105.495
flat angles P-C4'-P energy: -69.282
tors. eta vs tors. theta energy: -106.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 305
Temperature: 1.000000
Total energy: -920.210299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -920.210299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -920.210299 (E_RNA)
where:
Base-Base interactions energy: -511.254
where: short stacking energy: -299.627
Base-Backbone interact. energy: -1.385
local terms energy: -407.571880
where:
bonds (distance) C4'-P energy: -88.993
bonds (distance) P-C4' energy: -96.261
flat angles C4'-P-C4' energy: -90.413
flat angles P-C4'-P energy: -61.022
tors. eta vs tors. theta energy: -70.882
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 305
Temperature: 1.050000
Total energy: -755.942853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -755.942853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -755.942853 (E_RNA)
where:
Base-Base interactions energy: -394.602
where: short stacking energy: -282.021
Base-Backbone interact. energy: -2.701
local terms energy: -358.640242
where:
bonds (distance) C4'-P energy: -78.933
bonds (distance) P-C4' energy: -78.637
flat angles C4'-P-C4' energy: -84.333
flat angles P-C4'-P energy: -47.460
tors. eta vs tors. theta energy: -69.277
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: 8
=====================================
Write number: 305
Temperature: 1.100000
Total energy: -588.616970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -588.616970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -588.616970 (E_RNA)
where:
Base-Base interactions energy: -266.556
where: short stacking energy: -187.244
Base-Backbone interact. energy: -0.755
local terms energy: -321.305216
where:
bonds (distance) C4'-P energy: -81.006
bonds (distance) P-C4' energy: -76.838
flat angles C4'-P-C4' energy: -95.577
flat angles P-C4'-P energy: -49.109
tors. eta vs tors. theta energy: -18.776
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 305
Temperature: 1.150000
Total energy: -595.042739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -595.042739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -595.042739 (E_RNA)
where:
Base-Base interactions energy: -272.929
where: short stacking energy: -196.008
Base-Backbone interact. energy: 1.955
local terms energy: -324.068810
where:
bonds (distance) C4'-P energy: -80.766
bonds (distance) P-C4' energy: -92.585
flat angles C4'-P-C4' energy: -80.974
flat angles P-C4'-P energy: -41.706
tors. eta vs tors. theta energy: -28.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 305
Temperature: 1.200000
Total energy: -467.914558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -467.914558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -467.914558 (E_RNA)
where:
Base-Base interactions energy: -168.252
where: short stacking energy: -124.482
Base-Backbone interact. energy: -0.096
local terms energy: -299.565782
where:
bonds (distance) C4'-P energy: -85.736
bonds (distance) P-C4' energy: -82.910
flat angles C4'-P-C4' energy: -75.984
flat angles P-C4'-P energy: -48.244
tors. eta vs tors. theta energy: -6.692
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: 5
=====================================
Write number: 305
Temperature: 1.250000
Total energy: -403.301503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.301503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -403.301503 (E_RNA)
where:
Base-Base interactions energy: -137.831
where: short stacking energy: -124.983
Base-Backbone interact. energy: 0.532
local terms energy: -266.002702
where:
bonds (distance) C4'-P energy: -79.366
bonds (distance) P-C4' energy: -79.437
flat angles C4'-P-C4' energy: -63.193
flat angles P-C4'-P energy: -40.091
tors. eta vs tors. theta energy: -3.916
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 305
Temperature: 1.300000
Total energy: -384.099763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -384.099763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -384.099763 (E_RNA)
where:
Base-Base interactions energy: -131.980
where: short stacking energy: -123.140
Base-Backbone interact. energy: 0.329
local terms energy: -252.448156
where:
bonds (distance) C4'-P energy: -64.546
bonds (distance) P-C4' energy: -68.179
flat angles C4'-P-C4' energy: -84.102
flat angles P-C4'-P energy: -47.230
tors. eta vs tors. theta energy: 11.609
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: 3
=====================================
Write number: 305
Temperature: 1.350000
Total energy: -372.034780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -372.034780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -372.034780 (E_RNA)
where:
Base-Base interactions energy: -120.587
where: short stacking energy: -115.726
Base-Backbone interact. energy: 1.636
local terms energy: -253.084019
where:
bonds (distance) C4'-P energy: -60.381
bonds (distance) P-C4' energy: -82.452
flat angles C4'-P-C4' energy: -65.137
flat angles P-C4'-P energy: -42.225
tors. eta vs tors. theta energy: -2.890
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 306
Temperature: 0.900000
Total energy: -1294.849937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1294.849937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1294.849937 (E_RNA)
where:
Base-Base interactions energy: -799.283
where: short stacking energy: -440.823
Base-Backbone interact. energy: -1.513
local terms energy: -494.053682
where:
bonds (distance) C4'-P energy: -97.469
bonds (distance) P-C4' energy: -87.994
flat angles C4'-P-C4' energy: -108.049
flat angles P-C4'-P energy: -73.563
tors. eta vs tors. theta energy: -126.979
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 306
Temperature: 0.950000
Total energy: -1176.143397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1176.143397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1176.143397 (E_RNA)
where:
Base-Base interactions energy: -711.915
where: short stacking energy: -415.616
Base-Backbone interact. energy: -0.198
local terms energy: -464.030131
where:
bonds (distance) C4'-P energy: -84.756
bonds (distance) P-C4' energy: -88.122
flat angles C4'-P-C4' energy: -105.939
flat angles P-C4'-P energy: -62.573
tors. eta vs tors. theta energy: -122.640
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 306
Temperature: 1.000000
Total energy: -905.166764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -905.166764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -905.166764 (E_RNA)
where:
Base-Base interactions energy: -537.242
where: short stacking energy: -309.887
Base-Backbone interact. energy: -1.241
local terms energy: -366.683818
where:
bonds (distance) C4'-P energy: -62.849
bonds (distance) P-C4' energy: -86.783
flat angles C4'-P-C4' energy: -93.857
flat angles P-C4'-P energy: -50.863
tors. eta vs tors. theta energy: -72.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 306
Temperature: 1.050000
Total energy: -749.667392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -749.667392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -749.667392 (E_RNA)
where:
Base-Base interactions energy: -373.348
where: short stacking energy: -255.837
Base-Backbone interact. energy: -1.178
local terms energy: -375.141456
where:
bonds (distance) C4'-P energy: -88.571
bonds (distance) P-C4' energy: -93.583
flat angles C4'-P-C4' energy: -84.061
flat angles P-C4'-P energy: -55.523
tors. eta vs tors. theta energy: -53.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 306
Temperature: 1.100000
Total energy: -617.396610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -617.396610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -617.396610 (E_RNA)
where:
Base-Base interactions energy: -305.232
where: short stacking energy: -215.173
Base-Backbone interact. energy: -1.402
local terms energy: -310.762699
where:
bonds (distance) C4'-P energy: -73.740
bonds (distance) P-C4' energy: -85.629
flat angles C4'-P-C4' energy: -78.025
flat angles P-C4'-P energy: -47.049
tors. eta vs tors. theta energy: -26.320
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: 6, replica: 8
=====================================
Write number: 306
Temperature: 1.150000
Total energy: -580.899376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -580.899376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -580.899376 (E_RNA)
where:
Base-Base interactions energy: -240.365
where: short stacking energy: -187.236
Base-Backbone interact. energy: -0.035
local terms energy: -340.499598
where:
bonds (distance) C4'-P energy: -96.936
bonds (distance) P-C4' energy: -94.959
flat angles C4'-P-C4' energy: -79.329
flat angles P-C4'-P energy: -48.804
tors. eta vs tors. theta energy: -20.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 306
Temperature: 1.200000
Total energy: -420.027840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.027840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -420.027840 (E_RNA)
where:
Base-Base interactions energy: -144.847
where: short stacking energy: -114.815
Base-Backbone interact. energy: -1.316
local terms energy: -273.864991
where:
bonds (distance) C4'-P energy: -84.160
bonds (distance) P-C4' energy: -83.208
flat angles C4'-P-C4' energy: -75.570
flat angles P-C4'-P energy: -38.043
tors. eta vs tors. theta energy: 7.117
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 306
Temperature: 1.250000
Total energy: -431.221045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -431.221045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -431.221045 (E_RNA)
where:
Base-Base interactions energy: -154.441
where: short stacking energy: -135.729
Base-Backbone interact. energy: -1.272
local terms energy: -275.508377
where:
bonds (distance) C4'-P energy: -66.456
bonds (distance) P-C4' energy: -81.693
flat angles C4'-P-C4' energy: -80.262
flat angles P-C4'-P energy: -45.218
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: 10
=====================================
Write number: 306
Temperature: 1.300000
Total energy: -384.183162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -384.183162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -384.183162 (E_RNA)
where:
Base-Base interactions energy: -127.935
where: short stacking energy: -111.464
Base-Backbone interact. energy: -0.214
local terms energy: -256.033888
where:
bonds (distance) C4'-P energy: -84.288
bonds (distance) P-C4' energy: -79.310
flat angles C4'-P-C4' energy: -60.302
flat angles P-C4'-P energy: -47.411
tors. eta vs tors. theta energy: 15.276
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 306
Temperature: 1.350000
Total energy: -368.215815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.215815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.215815 (E_RNA)
where:
Base-Base interactions energy: -108.250
where: short stacking energy: -94.023
Base-Backbone interact. energy: 4.796
local terms energy: -264.762197
where:
bonds (distance) C4'-P energy: -86.772
bonds (distance) P-C4' energy: -86.021
flat angles C4'-P-C4' energy: -68.998
flat angles P-C4'-P energy: -41.775
tors. eta vs tors. theta energy: 18.804
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 307
Temperature: 0.900000
Total energy: -1283.461638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1283.461638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1283.461638 (E_RNA)
where:
Base-Base interactions energy: -798.636
where: short stacking energy: -439.742
Base-Backbone interact. energy: -0.952
local terms energy: -483.872945
where:
bonds (distance) C4'-P energy: -81.902
bonds (distance) P-C4' energy: -89.647
flat angles C4'-P-C4' energy: -110.293
flat angles P-C4'-P energy: -74.577
tors. eta vs tors. theta energy: -127.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 307
Temperature: 0.950000
Total energy: -1117.307963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1117.307963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1117.307963 (E_RNA)
where:
Base-Base interactions energy: -683.561
where: short stacking energy: -399.261
Base-Backbone interact. energy: -0.036
local terms energy: -433.710812
where:
bonds (distance) C4'-P energy: -86.068
bonds (distance) P-C4' energy: -88.983
flat angles C4'-P-C4' energy: -90.072
flat angles P-C4'-P energy: -59.600
tors. eta vs tors. theta energy: -108.989
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 307
Temperature: 1.000000
Total energy: -945.769464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -945.769464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -945.769464 (E_RNA)
where:
Base-Base interactions energy: -523.630
where: short stacking energy: -312.616
Base-Backbone interact. energy: 2.462
local terms energy: -424.601411
where:
bonds (distance) C4'-P energy: -93.488
bonds (distance) P-C4' energy: -91.506
flat angles C4'-P-C4' energy: -90.035
flat angles P-C4'-P energy: -70.686
tors. eta vs tors. theta energy: -78.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 307
Temperature: 1.050000
Total energy: -730.999597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -730.999597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -730.999597 (E_RNA)
where:
Base-Base interactions energy: -340.390
where: short stacking energy: -229.374
Base-Backbone interact. energy: -2.314
local terms energy: -388.295274
where:
bonds (distance) C4'-P energy: -100.322
bonds (distance) P-C4' energy: -82.663
flat angles C4'-P-C4' energy: -90.155
flat angles P-C4'-P energy: -61.065
tors. eta vs tors. theta energy: -54.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 307
Temperature: 1.100000
Total energy: -662.847360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -662.847360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -662.847360 (E_RNA)
where:
Base-Base interactions energy: -319.192
where: short stacking energy: -228.682
Base-Backbone interact. energy: 1.216
local terms energy: -344.870800
where:
bonds (distance) C4'-P energy: -82.117
bonds (distance) P-C4' energy: -89.621
flat angles C4'-P-C4' energy: -68.145
flat angles P-C4'-P energy: -53.595
tors. eta vs tors. theta energy: -51.392
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 307
Temperature: 1.150000
Total energy: -576.854660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -576.854660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -576.854660 (E_RNA)
where:
Base-Base interactions energy: -237.825
where: short stacking energy: -184.558
Base-Backbone interact. energy: 0.221
local terms energy: -339.250707
where:
bonds (distance) C4'-P energy: -83.744
bonds (distance) P-C4' energy: -77.887
flat angles C4'-P-C4' energy: -84.856
flat angles P-C4'-P energy: -64.789
tors. eta vs tors. theta energy: -27.975
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: 307
Temperature: 1.200000
Total energy: -461.835230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -461.835230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -461.835230 (E_RNA)
where:
Base-Base interactions energy: -153.840
where: short stacking energy: -130.618
Base-Backbone interact. energy: -0.507
local terms energy: -307.488644
where:
bonds (distance) C4'-P energy: -86.887
bonds (distance) P-C4' energy: -87.088
flat angles C4'-P-C4' energy: -77.703
flat angles P-C4'-P energy: -52.815
tors. eta vs tors. theta energy: -2.995
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 307
Temperature: 1.250000
Total energy: -406.169200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.169200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -406.169200 (E_RNA)
where:
Base-Base interactions energy: -152.782
where: short stacking energy: -129.292
Base-Backbone interact. energy: 0.027
local terms energy: -253.415001
where:
bonds (distance) C4'-P energy: -64.360
bonds (distance) P-C4' energy: -78.373
flat angles C4'-P-C4' energy: -68.504
flat angles P-C4'-P energy: -54.101
tors. eta vs tors. theta energy: 11.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 307
Temperature: 1.300000
Total energy: -387.170555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -387.170555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -387.170555 (E_RNA)
where:
Base-Base interactions energy: -124.528
where: short stacking energy: -116.622
Base-Backbone interact. energy: 0.932
local terms energy: -263.574695
where:
bonds (distance) C4'-P energy: -67.788
bonds (distance) P-C4' energy: -89.980
flat angles C4'-P-C4' energy: -64.815
flat angles P-C4'-P energy: -46.387
tors. eta vs tors. theta energy: 5.396
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 307
Temperature: 1.350000
Total energy: -375.987759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -375.987759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -375.987759 (E_RNA)
where:
Base-Base interactions energy: -151.457
where: short stacking energy: -124.135
Base-Backbone interact. energy: 2.798
local terms energy: -227.328235
where:
bonds (distance) C4'-P energy: -69.009
bonds (distance) P-C4' energy: -68.342
flat angles C4'-P-C4' energy: -60.621
flat angles P-C4'-P energy: -31.473
tors. eta vs tors. theta energy: 2.117
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 308
Temperature: 0.900000
Total energy: -1280.001365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1280.001365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1280.001365 (E_RNA)
where:
Base-Base interactions energy: -803.329
where: short stacking energy: -422.395
Base-Backbone interact. energy: 0.411
local terms energy: -477.083825
where:
bonds (distance) C4'-P energy: -90.131
bonds (distance) P-C4' energy: -90.636
flat angles C4'-P-C4' energy: -97.161
flat angles P-C4'-P energy: -75.701
tors. eta vs tors. theta energy: -123.455
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: 2, replica: 4
=====================================
Write number: 308
Temperature: 0.950000
Total energy: -1150.074209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1150.074209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1150.074209 (E_RNA)
where:
Base-Base interactions energy: -691.919
where: short stacking energy: -389.664
Base-Backbone interact. energy: -1.908
local terms energy: -456.247763
where:
bonds (distance) C4'-P energy: -96.803
bonds (distance) P-C4' energy: -87.764
flat angles C4'-P-C4' energy: -102.462
flat angles P-C4'-P energy: -62.023
tors. eta vs tors. theta energy: -107.195
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: 6
=====================================
Write number: 308
Temperature: 1.000000
Total energy: -857.042391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -857.042391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -857.042391 (E_RNA)
where:
Base-Base interactions energy: -444.658
where: short stacking energy: -272.417
Base-Backbone interact. energy: -1.201
local terms energy: -411.183501
where:
bonds (distance) C4'-P energy: -90.851
bonds (distance) P-C4' energy: -91.353
flat angles C4'-P-C4' energy: -96.425
flat angles P-C4'-P energy: -63.132
tors. eta vs tors. theta energy: -69.422
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: 7
=====================================
Write number: 308
Temperature: 1.050000
Total energy: -768.324664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -768.324664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -768.324664 (E_RNA)
where:
Base-Base interactions energy: -385.912
where: short stacking energy: -248.289
Base-Backbone interact. energy: 0.423
local terms energy: -382.835398
where:
bonds (distance) C4'-P energy: -83.901
bonds (distance) P-C4' energy: -90.133
flat angles C4'-P-C4' energy: -90.269
flat angles P-C4'-P energy: -59.390
tors. eta vs tors. theta energy: -59.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 308
Temperature: 1.100000
Total energy: -633.898919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -633.898919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -633.898919 (E_RNA)
where:
Base-Base interactions energy: -285.430
where: short stacking energy: -196.294
Base-Backbone interact. energy: -1.097
local terms energy: -347.372057
where:
bonds (distance) C4'-P energy: -86.728
bonds (distance) P-C4' energy: -91.202
flat angles C4'-P-C4' energy: -78.013
flat angles P-C4'-P energy: -49.805
tors. eta vs tors. theta energy: -41.623
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 308
Temperature: 1.150000
Total energy: -578.385008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -578.385008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -578.385008 (E_RNA)
where:
Base-Base interactions energy: -262.751
where: short stacking energy: -170.428
Base-Backbone interact. energy: 1.101
local terms energy: -316.735348
where:
bonds (distance) C4'-P energy: -73.135
bonds (distance) P-C4' energy: -90.267
flat angles C4'-P-C4' energy: -75.589
flat angles P-C4'-P energy: -42.819
tors. eta vs tors. theta energy: -34.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 308
Temperature: 1.200000
Total energy: -481.068900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.068900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -481.068900 (E_RNA)
where:
Base-Base interactions energy: -175.606
where: short stacking energy: -148.937
Base-Backbone interact. energy: 2.752
local terms energy: -308.215146
where:
bonds (distance) C4'-P energy: -81.452
bonds (distance) P-C4' energy: -86.071
flat angles C4'-P-C4' energy: -83.201
flat angles P-C4'-P energy: -53.487
tors. eta vs tors. theta energy: -4.004
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 308
Temperature: 1.250000
Total energy: -409.464297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -409.464297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -409.464297 (E_RNA)
where:
Base-Base interactions energy: -155.880
where: short stacking energy: -127.712
Base-Backbone interact. energy: -0.930
local terms energy: -252.654458
where:
bonds (distance) C4'-P energy: -58.765
bonds (distance) P-C4' energy: -85.825
flat angles C4'-P-C4' energy: -78.998
flat angles P-C4'-P energy: -27.828
tors. eta vs tors. theta energy: -1.237
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 308
Temperature: 1.300000
Total energy: -420.873424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.873424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -420.873424 (E_RNA)
where:
Base-Base interactions energy: -136.918
where: short stacking energy: -128.413
Base-Backbone interact. energy: 1.739
local terms energy: -285.694464
where:
bonds (distance) C4'-P energy: -78.919
bonds (distance) P-C4' energy: -89.334
flat angles C4'-P-C4' energy: -86.722
flat angles P-C4'-P energy: -33.527
tors. eta vs tors. theta energy: 2.808
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: 3
=====================================
Write number: 308
Temperature: 1.350000
Total energy: -342.504788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.504788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.504788 (E_RNA)
where:
Base-Base interactions energy: -95.328
where: short stacking energy: -79.961
Base-Backbone interact. energy: 0.490
local terms energy: -247.666682
where:
bonds (distance) C4'-P energy: -61.593
bonds (distance) P-C4' energy: -78.179
flat angles C4'-P-C4' energy: -83.024
flat angles P-C4'-P energy: -37.236
tors. eta vs tors. theta energy: 12.365
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: 309
Temperature: 0.900000
Total energy: -1260.188401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1260.188401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1260.188401 (E_RNA)
where:
Base-Base interactions energy: -777.965
where: short stacking energy: -423.221
Base-Backbone interact. energy: -3.592
local terms energy: -478.631701
where:
bonds (distance) C4'-P energy: -91.847
bonds (distance) P-C4' energy: -94.141
flat angles C4'-P-C4' energy: -106.844
flat angles P-C4'-P energy: -69.755
tors. eta vs tors. theta energy: -116.044
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 309
Temperature: 0.950000
Total energy: -1136.489240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1136.489240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1136.489240 (E_RNA)
where:
Base-Base interactions energy: -682.089
where: short stacking energy: -411.747
Base-Backbone interact. energy: -0.410
local terms energy: -453.990240
where:
bonds (distance) C4'-P energy: -80.021
bonds (distance) P-C4' energy: -87.351
flat angles C4'-P-C4' energy: -98.861
flat angles P-C4'-P energy: -71.027
tors. eta vs tors. theta energy: -116.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 309
Temperature: 1.000000
Total energy: -920.890114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -920.890114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -920.890114 (E_RNA)
where:
Base-Base interactions energy: -503.043
where: short stacking energy: -296.934
Base-Backbone interact. energy: -0.046
local terms energy: -417.801935
where:
bonds (distance) C4'-P energy: -90.142
bonds (distance) P-C4' energy: -90.253
flat angles C4'-P-C4' energy: -101.436
flat angles P-C4'-P energy: -57.928
tors. eta vs tors. theta energy: -78.044
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 309
Temperature: 1.050000
Total energy: -758.157612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -758.157612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -758.157612 (E_RNA)
where:
Base-Base interactions energy: -388.799
where: short stacking energy: -256.329
Base-Backbone interact. energy: -0.472
local terms energy: -368.886788
where:
bonds (distance) C4'-P energy: -80.353
bonds (distance) P-C4' energy: -87.682
flat angles C4'-P-C4' energy: -98.925
flat angles P-C4'-P energy: -53.276
tors. eta vs tors. theta energy: -48.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 309
Temperature: 1.100000
Total energy: -655.086483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -655.086483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -655.086483 (E_RNA)
where:
Base-Base interactions energy: -311.035
where: short stacking energy: -240.430
Base-Backbone interact. energy: -0.206
local terms energy: -343.845146
where:
bonds (distance) C4'-P energy: -72.603
bonds (distance) P-C4' energy: -75.294
flat angles C4'-P-C4' energy: -90.939
flat angles P-C4'-P energy: -52.502
tors. eta vs tors. theta energy: -52.507
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: 2
=====================================
Write number: 309
Temperature: 1.150000
Total energy: -551.686351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.686351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.686351 (E_RNA)
where:
Base-Base interactions energy: -223.454
where: short stacking energy: -162.663
Base-Backbone interact. energy: -2.458
local terms energy: -325.774730
where:
bonds (distance) C4'-P energy: -79.163
bonds (distance) P-C4' energy: -86.794
flat angles C4'-P-C4' energy: -82.322
flat angles P-C4'-P energy: -51.611
tors. eta vs tors. theta energy: -25.884
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 309
Temperature: 1.200000
Total energy: -455.555364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -455.555364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -455.555364 (E_RNA)
where:
Base-Base interactions energy: -156.794
where: short stacking energy: -129.559
Base-Backbone interact. energy: -0.451
local terms energy: -298.310321
where:
bonds (distance) C4'-P energy: -86.868
bonds (distance) P-C4' energy: -89.834
flat angles C4'-P-C4' energy: -65.800
flat angles P-C4'-P energy: -43.423
tors. eta vs tors. theta energy: -12.386
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 309
Temperature: 1.250000
Total energy: -402.978656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -402.978656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -402.978656 (E_RNA)
where:
Base-Base interactions energy: -129.722
where: short stacking energy: -125.116
Base-Backbone interact. energy: 2.744
local terms energy: -276.000142
where:
bonds (distance) C4'-P energy: -74.970
bonds (distance) P-C4' energy: -87.068
flat angles C4'-P-C4' energy: -77.124
flat angles P-C4'-P energy: -42.087
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: 9, replica: 5
=====================================
Write number: 309
Temperature: 1.300000
Total energy: -404.036840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -404.036840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -404.036840 (E_RNA)
where:
Base-Base interactions energy: -152.872
where: short stacking energy: -130.789
Base-Backbone interact. energy: -0.632
local terms energy: -250.532324
where:
bonds (distance) C4'-P energy: -65.528
bonds (distance) P-C4' energy: -68.545
flat angles C4'-P-C4' energy: -64.551
flat angles P-C4'-P energy: -47.104
tors. eta vs tors. theta energy: -4.804
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 309
Temperature: 1.350000
Total energy: -344.800497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.800497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.800497 (E_RNA)
where:
Base-Base interactions energy: -116.730
where: short stacking energy: -105.044
Base-Backbone interact. energy: -2.925
local terms energy: -225.145157
where:
bonds (distance) C4'-P energy: -59.617
bonds (distance) P-C4' energy: -87.818
flat angles C4'-P-C4' energy: -47.284
flat angles P-C4'-P energy: -36.580
tors. eta vs tors. theta energy: 6.155
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: 1, replica: 1
=====================================
Write number: 310
Temperature: 0.900000
Total energy: -1270.276066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1270.276066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1270.276066 (E_RNA)
where:
Base-Base interactions energy: -795.036
where: short stacking energy: -441.166
Base-Backbone interact. energy: -2.050
local terms energy: -473.190466
where:
bonds (distance) C4'-P energy: -79.633
bonds (distance) P-C4' energy: -94.245
flat angles C4'-P-C4' energy: -101.113
flat angles P-C4'-P energy: -68.141
tors. eta vs tors. theta energy: -130.059
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 310
Temperature: 0.950000
Total energy: -1144.651730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1144.651730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1144.651730 (E_RNA)
where:
Base-Base interactions energy: -674.129
where: short stacking energy: -411.303
Base-Backbone interact. energy: -0.538
local terms energy: -469.985020
where:
bonds (distance) C4'-P energy: -87.991
bonds (distance) P-C4' energy: -91.082
flat angles C4'-P-C4' energy: -109.061
flat angles P-C4'-P energy: -62.849
tors. eta vs tors. theta energy: -119.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 310
Temperature: 1.000000
Total energy: -904.602619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -904.602619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -904.602619 (E_RNA)
where:
Base-Base interactions energy: -508.274
where: short stacking energy: -298.820
Base-Backbone interact. energy: -0.111
local terms energy: -396.217220
where:
bonds (distance) C4'-P energy: -89.068
bonds (distance) P-C4' energy: -84.094
flat angles C4'-P-C4' energy: -93.220
flat angles P-C4'-P energy: -70.542
tors. eta vs tors. theta energy: -59.294
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: 7
=====================================
Write number: 310
Temperature: 1.050000
Total energy: -805.318613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -805.318613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -805.318613 (E_RNA)
where:
Base-Base interactions energy: -421.807
where: short stacking energy: -272.599
Base-Backbone interact. energy: 0.560
local terms energy: -384.072138
where:
bonds (distance) C4'-P energy: -83.212
bonds (distance) P-C4' energy: -92.360
flat angles C4'-P-C4' energy: -78.802
flat angles P-C4'-P energy: -59.226
tors. eta vs tors. theta energy: -70.471
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 310
Temperature: 1.100000
Total energy: -575.596121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -575.596121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -575.596121 (E_RNA)
where:
Base-Base interactions energy: -235.147
where: short stacking energy: -182.150
Base-Backbone interact. energy: -2.175
local terms energy: -338.274255
where:
bonds (distance) C4'-P energy: -82.360
bonds (distance) P-C4' energy: -94.632
flat angles C4'-P-C4' energy: -82.651
flat angles P-C4'-P energy: -56.115
tors. eta vs tors. theta energy: -22.516
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: 310
Temperature: 1.150000
Total energy: -577.308993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -577.308993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -577.308993 (E_RNA)
where:
Base-Base interactions energy: -246.792
where: short stacking energy: -184.653
Base-Backbone interact. energy: -1.989
local terms energy: -328.527986
where:
bonds (distance) C4'-P energy: -85.761
bonds (distance) P-C4' energy: -87.960
flat angles C4'-P-C4' energy: -76.346
flat angles P-C4'-P energy: -60.358
tors. eta vs tors. theta energy: -18.103
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 310
Temperature: 1.200000
Total energy: -442.752795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -442.752795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -442.752795 (E_RNA)
where:
Base-Base interactions energy: -137.191
where: short stacking energy: -130.747
Base-Backbone interact. energy: -0.476
local terms energy: -305.086039
where:
bonds (distance) C4'-P energy: -85.674
bonds (distance) P-C4' energy: -79.787
flat angles C4'-P-C4' energy: -79.685
flat angles P-C4'-P energy: -54.826
tors. eta vs tors. theta energy: -5.114
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: 9
=====================================
Write number: 310
Temperature: 1.250000
Total energy: -419.684475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.684475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.684475 (E_RNA)
where:
Base-Base interactions energy: -153.153
where: short stacking energy: -134.303
Base-Backbone interact. energy: 0.495
local terms energy: -267.026175
where:
bonds (distance) C4'-P energy: -82.256
bonds (distance) P-C4' energy: -76.202
flat angles C4'-P-C4' energy: -73.505
flat angles P-C4'-P energy: -36.306
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: 9, replica: 5
=====================================
Write number: 310
Temperature: 1.300000
Total energy: -407.120364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.120364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -407.120364 (E_RNA)
where:
Base-Base interactions energy: -159.053
where: short stacking energy: -125.243
Base-Backbone interact. energy: -3.563
local terms energy: -244.503531
where:
bonds (distance) C4'-P energy: -66.863
bonds (distance) P-C4' energy: -90.645
flat angles C4'-P-C4' energy: -57.573
flat angles P-C4'-P energy: -29.419
tors. eta vs tors. theta energy: -0.002
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: 3
=====================================
Write number: 310
Temperature: 1.350000
Total energy: -341.404998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.404998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.404998 (E_RNA)
where:
Base-Base interactions energy: -119.050
where: short stacking energy: -96.287
Base-Backbone interact. energy: 1.527
local terms energy: -223.882063
where:
bonds (distance) C4'-P energy: -65.767
bonds (distance) P-C4' energy: -72.585
flat angles C4'-P-C4' energy: -65.550
flat angles P-C4'-P energy: -35.612
tors. eta vs tors. theta energy: 15.631
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 311
Temperature: 0.900000
Total energy: -1289.217560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1289.217560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1289.217560 (E_RNA)
where:
Base-Base interactions energy: -810.625
where: short stacking energy: -434.136
Base-Backbone interact. energy: -0.236
local terms energy: -478.356862
where:
bonds (distance) C4'-P energy: -78.600
bonds (distance) P-C4' energy: -102.943
flat angles C4'-P-C4' energy: -105.055
flat angles P-C4'-P energy: -60.432
tors. eta vs tors. theta energy: -131.327
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: 311
Temperature: 0.950000
Total energy: -1107.411374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1107.411374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1107.411374 (E_RNA)
where:
Base-Base interactions energy: -651.071
where: short stacking energy: -385.770
Base-Backbone interact. energy: -0.737
local terms energy: -455.602672
where:
bonds (distance) C4'-P energy: -90.754
bonds (distance) P-C4' energy: -89.990
flat angles C4'-P-C4' energy: -90.226
flat angles P-C4'-P energy: -64.536
tors. eta vs tors. theta energy: -120.097
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 311
Temperature: 1.000000
Total energy: -903.685129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -903.685129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -903.685129 (E_RNA)
where:
Base-Base interactions energy: -511.401
where: short stacking energy: -299.655
Base-Backbone interact. energy: 1.725
local terms energy: -394.009170
where:
bonds (distance) C4'-P energy: -79.573
bonds (distance) P-C4' energy: -88.621
flat angles C4'-P-C4' energy: -87.724
flat angles P-C4'-P energy: -57.496
tors. eta vs tors. theta energy: -80.596
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 311
Temperature: 1.050000
Total energy: -791.413452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -791.413452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -791.413452 (E_RNA)
where:
Base-Base interactions energy: -389.831
where: short stacking energy: -241.870
Base-Backbone interact. energy: -0.448
local terms energy: -401.135294
where:
bonds (distance) C4'-P energy: -92.717
bonds (distance) P-C4' energy: -101.402
flat angles C4'-P-C4' energy: -90.171
flat angles P-C4'-P energy: -60.763
tors. eta vs tors. theta energy: -56.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 311
Temperature: 1.100000
Total energy: -614.687715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -614.687715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -614.687715 (E_RNA)
where:
Base-Base interactions energy: -293.618
where: short stacking energy: -203.790
Base-Backbone interact. energy: 0.115
local terms energy: -321.184652
where:
bonds (distance) C4'-P energy: -90.499
bonds (distance) P-C4' energy: -99.098
flat angles C4'-P-C4' energy: -67.019
flat angles P-C4'-P energy: -43.288
tors. eta vs tors. theta energy: -21.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 311
Temperature: 1.150000
Total energy: -584.268100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -584.268100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -584.268100 (E_RNA)
where:
Base-Base interactions energy: -256.242
where: short stacking energy: -206.103
Base-Backbone interact. energy: -0.039
local terms energy: -327.986460
where:
bonds (distance) C4'-P energy: -67.698
bonds (distance) P-C4' energy: -96.406
flat angles C4'-P-C4' energy: -88.511
flat angles P-C4'-P energy: -33.921
tors. eta vs tors. theta energy: -41.451
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: 10
=====================================
Write number: 311
Temperature: 1.200000
Total energy: -444.817730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -444.817730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -444.817730 (E_RNA)
where:
Base-Base interactions energy: -165.899
where: short stacking energy: -135.247
Base-Backbone interact. energy: 0.443
local terms energy: -279.361267
where:
bonds (distance) C4'-P energy: -80.474
bonds (distance) P-C4' energy: -88.671
flat angles C4'-P-C4' energy: -66.598
flat angles P-C4'-P energy: -41.003
tors. eta vs tors. theta energy: -2.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 311
Temperature: 1.250000
Total energy: -421.128415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.128415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -421.128415 (E_RNA)
where:
Base-Base interactions energy: -139.481
where: short stacking energy: -127.713
Base-Backbone interact. energy: -0.524
local terms energy: -281.122704
where:
bonds (distance) C4'-P energy: -79.916
bonds (distance) P-C4' energy: -83.215
flat angles C4'-P-C4' energy: -79.564
flat angles P-C4'-P energy: -41.137
tors. eta vs tors. theta energy: 2.709
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 311
Temperature: 1.300000
Total energy: -374.847005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -374.847005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -374.847005 (E_RNA)
where:
Base-Base interactions energy: -121.693
where: short stacking energy: -115.981
Base-Backbone interact. energy: 2.529
local terms energy: -255.683722
where:
bonds (distance) C4'-P energy: -83.360
bonds (distance) P-C4' energy: -72.879
flat angles C4'-P-C4' energy: -70.868
flat angles P-C4'-P energy: -41.862
tors. eta vs tors. theta energy: 13.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 311
Temperature: 1.350000
Total energy: -351.009296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.009296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.009296 (E_RNA)
where:
Base-Base interactions energy: -122.333
where: short stacking energy: -113.007
Base-Backbone interact. energy: 0.485
local terms energy: -229.160785
where:
bonds (distance) C4'-P energy: -60.487
bonds (distance) P-C4' energy: -81.621
flat angles C4'-P-C4' energy: -64.460
flat angles P-C4'-P energy: -42.574
tors. eta vs tors. theta energy: 19.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 312
Temperature: 0.900000
Total energy: -1260.928615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1260.928615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1260.928615 (E_RNA)
where:
Base-Base interactions energy: -761.372
where: short stacking energy: -406.416
Base-Backbone interact. energy: -2.910
local terms energy: -496.646591
where:
bonds (distance) C4'-P energy: -90.040
bonds (distance) P-C4' energy: -101.241
flat angles C4'-P-C4' energy: -105.977
flat angles P-C4'-P energy: -76.954
tors. eta vs tors. theta energy: -122.434
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: 2, replica: 4
=====================================
Write number: 312
Temperature: 0.950000
Total energy: -1121.111441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1121.111441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1121.111441 (E_RNA)
where:
Base-Base interactions energy: -671.000
where: short stacking energy: -399.576
Base-Backbone interact. energy: -0.789
local terms energy: -449.322944
where:
bonds (distance) C4'-P energy: -79.338
bonds (distance) P-C4' energy: -87.345
flat angles C4'-P-C4' energy: -96.313
flat angles P-C4'-P energy: -69.730
tors. eta vs tors. theta energy: -116.596
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: 3, replica: 6
=====================================
Write number: 312
Temperature: 1.000000
Total energy: -916.858754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -916.858754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -916.858754 (E_RNA)
where:
Base-Base interactions energy: -525.302
where: short stacking energy: -309.536
Base-Backbone interact. energy: -0.286
local terms energy: -391.270656
where:
bonds (distance) C4'-P energy: -73.760
bonds (distance) P-C4' energy: -82.330
flat angles C4'-P-C4' energy: -99.724
flat angles P-C4'-P energy: -59.523
tors. eta vs tors. theta energy: -75.935
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: 4, replica: 7
=====================================
Write number: 312
Temperature: 1.050000
Total energy: -762.960888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -762.960888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -762.960888 (E_RNA)
where:
Base-Base interactions energy: -376.495
where: short stacking energy: -271.692
Base-Backbone interact. energy: -0.045
local terms energy: -386.420285
where:
bonds (distance) C4'-P energy: -76.875
bonds (distance) P-C4' energy: -88.143
flat angles C4'-P-C4' energy: -103.184
flat angles P-C4'-P energy: -60.847
tors. eta vs tors. theta energy: -57.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 312
Temperature: 1.100000
Total energy: -649.635663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -649.635663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -649.635663 (E_RNA)
where:
Base-Base interactions energy: -303.476
where: short stacking energy: -213.732
Base-Backbone interact. energy: -0.739
local terms energy: -345.421226
where:
bonds (distance) C4'-P energy: -65.025
bonds (distance) P-C4' energy: -95.957
flat angles C4'-P-C4' energy: -80.425
flat angles P-C4'-P energy: -56.487
tors. eta vs tors. theta energy: -47.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 312
Temperature: 1.150000
Total energy: -584.784606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -584.784606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -584.784606 (E_RNA)
where:
Base-Base interactions energy: -269.601
where: short stacking energy: -164.707
Base-Backbone interact. energy: 0.183
local terms energy: -315.366485
where:
bonds (distance) C4'-P energy: -73.358
bonds (distance) P-C4' energy: -84.413
flat angles C4'-P-C4' energy: -94.703
flat angles P-C4'-P energy: -51.071
tors. eta vs tors. theta energy: -11.822
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: 9
=====================================
Write number: 312
Temperature: 1.200000
Total energy: -451.090708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -451.090708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -451.090708 (E_RNA)
where:
Base-Base interactions energy: -167.774
where: short stacking energy: -150.422
Base-Backbone interact. energy: -0.950
local terms energy: -282.366598
where:
bonds (distance) C4'-P energy: -88.433
bonds (distance) P-C4' energy: -85.096
flat angles C4'-P-C4' energy: -58.956
flat angles P-C4'-P energy: -37.113
tors. eta vs tors. theta energy: -12.768
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 312
Temperature: 1.250000
Total energy: -429.918272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -429.918272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -429.918272 (E_RNA)
where:
Base-Base interactions energy: -166.705
where: short stacking energy: -147.968
Base-Backbone interact. energy: 4.406
local terms energy: -267.618733
where:
bonds (distance) C4'-P energy: -90.794
bonds (distance) P-C4' energy: -61.089
flat angles C4'-P-C4' energy: -68.478
flat angles P-C4'-P energy: -36.995
tors. eta vs tors. theta energy: -10.262
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: 3
=====================================
Write number: 312
Temperature: 1.300000
Total energy: -380.511530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -380.511530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -380.511530 (E_RNA)
where:
Base-Base interactions energy: -137.363
where: short stacking energy: -126.270
Base-Backbone interact. energy: 4.543
local terms energy: -247.691285
where:
bonds (distance) C4'-P energy: -70.593
bonds (distance) P-C4' energy: -68.264
flat angles C4'-P-C4' energy: -71.476
flat angles P-C4'-P energy: -42.040
tors. eta vs tors. theta energy: 4.682
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: 5
=====================================
Write number: 312
Temperature: 1.350000
Total energy: -329.873808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.873808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.873808 (E_RNA)
where:
Base-Base interactions energy: -94.642
where: short stacking energy: -78.937
Base-Backbone interact. energy: -0.745
local terms energy: -234.487155
where:
bonds (distance) C4'-P energy: -64.123
bonds (distance) P-C4' energy: -58.162
flat angles C4'-P-C4' energy: -81.522
flat angles P-C4'-P energy: -39.408
tors. eta vs tors. theta energy: 8.727
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: 313
Temperature: 0.900000
Total energy: -1263.055337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1263.055337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1263.055337 (E_RNA)
where:
Base-Base interactions energy: -765.009
where: short stacking energy: -430.619
Base-Backbone interact. energy: -1.168
local terms energy: -496.877624
where:
bonds (distance) C4'-P energy: -94.493
bonds (distance) P-C4' energy: -91.012
flat angles C4'-P-C4' energy: -109.201
flat angles P-C4'-P energy: -78.167
tors. eta vs tors. theta energy: -124.004
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 313
Temperature: 0.950000
Total energy: -1119.802792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1119.802792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1119.802792 (E_RNA)
where:
Base-Base interactions energy: -666.244
where: short stacking energy: -378.908
Base-Backbone interact. energy: -0.354
local terms energy: -453.204647
where:
bonds (distance) C4'-P energy: -91.275
bonds (distance) P-C4' energy: -92.633
flat angles C4'-P-C4' energy: -96.631
flat angles P-C4'-P energy: -63.912
tors. eta vs tors. theta energy: -108.755
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: 313
Temperature: 1.000000
Total energy: -948.806153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -948.806153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -948.806153 (E_RNA)
where:
Base-Base interactions energy: -540.901
where: short stacking energy: -324.317
Base-Backbone interact. energy: -0.686
local terms energy: -407.219245
where:
bonds (distance) C4'-P energy: -83.222
bonds (distance) P-C4' energy: -84.533
flat angles C4'-P-C4' energy: -95.851
flat angles P-C4'-P energy: -51.362
tors. eta vs tors. theta energy: -92.251
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 313
Temperature: 1.050000
Total energy: -752.490168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -752.490168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -752.490168 (E_RNA)
where:
Base-Base interactions energy: -393.666
where: short stacking energy: -230.700
Base-Backbone interact. energy: -2.376
local terms energy: -356.447990
where:
bonds (distance) C4'-P energy: -95.101
bonds (distance) P-C4' energy: -84.219
flat angles C4'-P-C4' energy: -82.934
flat angles P-C4'-P energy: -50.836
tors. eta vs tors. theta energy: -43.358
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 313
Temperature: 1.100000
Total energy: -680.163504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -680.163504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -680.163504 (E_RNA)
where:
Base-Base interactions energy: -329.054
where: short stacking energy: -200.502
Base-Backbone interact. energy: -2.493
local terms energy: -348.616258
where:
bonds (distance) C4'-P energy: -84.803
bonds (distance) P-C4' energy: -93.876
flat angles C4'-P-C4' energy: -79.640
flat angles P-C4'-P energy: -52.036
tors. eta vs tors. theta energy: -38.262
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 313
Temperature: 1.150000
Total energy: -541.708043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.708043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.708043 (E_RNA)
where:
Base-Base interactions energy: -232.481
where: short stacking energy: -171.051
Base-Backbone interact. energy: -1.318
local terms energy: -307.908549
where:
bonds (distance) C4'-P energy: -88.908
bonds (distance) P-C4' energy: -93.351
flat angles C4'-P-C4' energy: -78.155
flat angles P-C4'-P energy: -33.929
tors. eta vs tors. theta energy: -13.566
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 313
Temperature: 1.200000
Total energy: -468.991834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -468.991834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -468.991834 (E_RNA)
where:
Base-Base interactions energy: -169.099
where: short stacking energy: -158.197
Base-Backbone interact. energy: -0.932
local terms energy: -298.961529
where:
bonds (distance) C4'-P energy: -76.848
bonds (distance) P-C4' energy: -75.904
flat angles C4'-P-C4' energy: -76.530
flat angles P-C4'-P energy: -51.246
tors. eta vs tors. theta energy: -18.434
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: 8, replica: 3
=====================================
Write number: 313
Temperature: 1.250000
Total energy: -441.628681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -441.628681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -441.628681 (E_RNA)
where:
Base-Base interactions energy: -170.940
where: short stacking energy: -147.231
Base-Backbone interact. energy: -0.701
local terms energy: -269.987651
where:
bonds (distance) C4'-P energy: -70.385
bonds (distance) P-C4' energy: -90.188
flat angles C4'-P-C4' energy: -55.726
flat angles P-C4'-P energy: -35.565
tors. eta vs tors. theta energy: -18.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 313
Temperature: 1.300000
Total energy: -374.751472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -374.751472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -374.751472 (E_RNA)
where:
Base-Base interactions energy: -122.338
where: short stacking energy: -118.823
Base-Backbone interact. energy: 0.210
local terms energy: -252.624226
where:
bonds (distance) C4'-P energy: -80.718
bonds (distance) P-C4' energy: -69.308
flat angles C4'-P-C4' energy: -52.350
flat angles P-C4'-P energy: -42.595
tors. eta vs tors. theta energy: -7.653
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: 5
=====================================
Write number: 313
Temperature: 1.350000
Total energy: -362.162888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.162888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.162888 (E_RNA)
where:
Base-Base interactions energy: -119.625
where: short stacking energy: -111.493
Base-Backbone interact. energy: -1.207
local terms energy: -241.331468
where:
bonds (distance) C4'-P energy: -57.967
bonds (distance) P-C4' energy: -77.025
flat angles C4'-P-C4' energy: -61.650
flat angles P-C4'-P energy: -54.131
tors. eta vs tors. theta energy: 9.441
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 314
Temperature: 0.900000
Total energy: -1248.182084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1248.182084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1248.182084 (E_RNA)
where:
Base-Base interactions energy: -782.237
where: short stacking energy: -413.220
Base-Backbone interact. energy: -0.852
local terms energy: -465.092823
where:
bonds (distance) C4'-P energy: -85.331
bonds (distance) P-C4' energy: -103.028
flat angles C4'-P-C4' energy: -96.835
flat angles P-C4'-P energy: -69.412
tors. eta vs tors. theta energy: -110.486
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 314
Temperature: 0.950000
Total energy: -1149.515335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1149.515335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1149.515335 (E_RNA)
where:
Base-Base interactions energy: -697.131
where: short stacking energy: -415.948
Base-Backbone interact. energy: -0.535
local terms energy: -451.848983
where:
bonds (distance) C4'-P energy: -91.002
bonds (distance) P-C4' energy: -87.896
flat angles C4'-P-C4' energy: -96.503
flat angles P-C4'-P energy: -49.787
tors. eta vs tors. theta energy: -126.661
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 314
Temperature: 1.000000
Total energy: -963.063332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -963.063332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -963.063332 (E_RNA)
where:
Base-Base interactions energy: -537.486
where: short stacking energy: -327.542
Base-Backbone interact. energy: -1.075
local terms energy: -424.502401
where:
bonds (distance) C4'-P energy: -79.170
bonds (distance) P-C4' energy: -97.169
flat angles C4'-P-C4' energy: -95.981
flat angles P-C4'-P energy: -63.996
tors. eta vs tors. theta energy: -88.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 314
Temperature: 1.050000
Total energy: -781.903580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -781.903580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -781.903580 (E_RNA)
where:
Base-Base interactions energy: -414.006
where: short stacking energy: -256.884
Base-Backbone interact. energy: 0.042
local terms energy: -367.939412
where:
bonds (distance) C4'-P energy: -83.046
bonds (distance) P-C4' energy: -93.900
flat angles C4'-P-C4' energy: -85.803
flat angles P-C4'-P energy: -54.590
tors. eta vs tors. theta energy: -50.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 314
Temperature: 1.100000
Total energy: -664.809803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -664.809803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -664.809803 (E_RNA)
where:
Base-Base interactions energy: -305.147
where: short stacking energy: -193.882
Base-Backbone interact. energy: -1.734
local terms energy: -357.929115
where:
bonds (distance) C4'-P energy: -81.795
bonds (distance) P-C4' energy: -103.228
flat angles C4'-P-C4' energy: -83.159
flat angles P-C4'-P energy: -54.881
tors. eta vs tors. theta energy: -34.866
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 314
Temperature: 1.150000
Total energy: -488.946959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.946959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.946959 (E_RNA)
where:
Base-Base interactions energy: -180.891
where: short stacking energy: -164.946
Base-Backbone interact. energy: 3.827
local terms energy: -311.882828
where:
bonds (distance) C4'-P energy: -95.003
bonds (distance) P-C4' energy: -79.674
flat angles C4'-P-C4' energy: -78.694
flat angles P-C4'-P energy: -56.778
tors. eta vs tors. theta energy: -1.735
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 314
Temperature: 1.200000
Total energy: -454.256793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -454.256793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -454.256793 (E_RNA)
where:
Base-Base interactions energy: -199.388
where: short stacking energy: -163.993
Base-Backbone interact. energy: -0.853
local terms energy: -254.015892
where:
bonds (distance) C4'-P energy: -65.274
bonds (distance) P-C4' energy: -76.292
flat angles C4'-P-C4' energy: -66.421
flat angles P-C4'-P energy: -37.418
tors. eta vs tors. theta energy: -8.610
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 314
Temperature: 1.250000
Total energy: -402.158668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -402.158668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -402.158668 (E_RNA)
where:
Base-Base interactions energy: -132.509
where: short stacking energy: -122.618
Base-Backbone interact. energy: 6.472
local terms energy: -276.121083
where:
bonds (distance) C4'-P energy: -83.568
bonds (distance) P-C4' energy: -77.005
flat angles C4'-P-C4' energy: -80.180
flat angles P-C4'-P energy: -35.666
tors. eta vs tors. theta energy: 0.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 314
Temperature: 1.300000
Total energy: -417.838730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.838730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.838730 (E_RNA)
where:
Base-Base interactions energy: -132.576
where: short stacking energy: -116.558
Base-Backbone interact. energy: -1.727
local terms energy: -283.535935
where:
bonds (distance) C4'-P energy: -71.176
bonds (distance) P-C4' energy: -89.749
flat angles C4'-P-C4' energy: -72.897
flat angles P-C4'-P energy: -45.980
tors. eta vs tors. theta energy: -3.733
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 314
Temperature: 1.350000
Total energy: -360.984756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.984756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.984756 (E_RNA)
where:
Base-Base interactions energy: -96.817
where: short stacking energy: -81.109
Base-Backbone interact. energy: -1.421
local terms energy: -262.746891
where:
bonds (distance) C4'-P energy: -93.358
bonds (distance) P-C4' energy: -75.200
flat angles C4'-P-C4' energy: -71.987
flat angles P-C4'-P energy: -38.122
tors. eta vs tors. theta energy: 15.921
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 315
Temperature: 0.900000
Total energy: -1310.967562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1310.967562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1310.967562 (E_RNA)
where:
Base-Base interactions energy: -811.322
where: short stacking energy: -465.959
Base-Backbone interact. energy: -2.001
local terms energy: -497.644546
where:
bonds (distance) C4'-P energy: -94.738
bonds (distance) P-C4' energy: -82.605
flat angles C4'-P-C4' energy: -103.874
flat angles P-C4'-P energy: -68.293
tors. eta vs tors. theta energy: -148.135
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: 2, replica: 4
=====================================
Write number: 315
Temperature: 0.950000
Total energy: -1157.136289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1157.136289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1157.136289 (E_RNA)
where:
Base-Base interactions energy: -700.074
where: short stacking energy: -397.178
Base-Backbone interact. energy: 3.171
local terms energy: -460.233353
where:
bonds (distance) C4'-P energy: -91.489
bonds (distance) P-C4' energy: -89.404
flat angles C4'-P-C4' energy: -96.091
flat angles P-C4'-P energy: -71.216
tors. eta vs tors. theta energy: -112.034
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: 6
=====================================
Write number: 315
Temperature: 1.000000
Total energy: -959.337638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -959.337638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -959.337638 (E_RNA)
where:
Base-Base interactions energy: -540.333
where: short stacking energy: -318.435
Base-Backbone interact. energy: -3.185
local terms energy: -415.819673
where:
bonds (distance) C4'-P energy: -90.253
bonds (distance) P-C4' energy: -90.157
flat angles C4'-P-C4' energy: -85.598
flat angles P-C4'-P energy: -64.216
tors. eta vs tors. theta energy: -85.596
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 315
Temperature: 1.050000
Total energy: -763.507948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -763.507948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -763.507948 (E_RNA)
where:
Base-Base interactions energy: -415.303
where: short stacking energy: -283.515
Base-Backbone interact. energy: 0.385
local terms energy: -348.590495
where:
bonds (distance) C4'-P energy: -74.442
bonds (distance) P-C4' energy: -91.926
flat angles C4'-P-C4' energy: -75.334
flat angles P-C4'-P energy: -39.279
tors. eta vs tors. theta energy: -67.610
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 315
Temperature: 1.100000
Total energy: -656.599151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -656.599151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -656.599151 (E_RNA)
where:
Base-Base interactions energy: -310.367
where: short stacking energy: -231.463
Base-Backbone interact. energy: -0.350
local terms energy: -345.882059
where:
bonds (distance) C4'-P energy: -81.618
bonds (distance) P-C4' energy: -79.779
flat angles C4'-P-C4' energy: -81.098
flat angles P-C4'-P energy: -49.358
tors. eta vs tors. theta energy: -54.029
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: 3
=====================================
Write number: 315
Temperature: 1.150000
Total energy: -495.468416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.468416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.468416 (E_RNA)
where:
Base-Base interactions energy: -187.064
where: short stacking energy: -181.267
Base-Backbone interact. energy: -0.750
local terms energy: -307.655003
where:
bonds (distance) C4'-P energy: -80.995
bonds (distance) P-C4' energy: -87.112
flat angles C4'-P-C4' energy: -75.110
flat angles P-C4'-P energy: -42.684
tors. eta vs tors. theta energy: -21.754
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: 7, replica: 2
=====================================
Write number: 315
Temperature: 1.200000
Total energy: -447.317650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -447.317650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -447.317650 (E_RNA)
where:
Base-Base interactions energy: -147.664
where: short stacking energy: -131.721
Base-Backbone interact. energy: -2.414
local terms energy: -297.240034
where:
bonds (distance) C4'-P energy: -84.359
bonds (distance) P-C4' energy: -80.839
flat angles C4'-P-C4' energy: -71.878
flat angles P-C4'-P energy: -62.651
tors. eta vs tors. theta energy: 2.486
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 315
Temperature: 1.250000
Total energy: -425.033448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -425.033448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -425.033448 (E_RNA)
where:
Base-Base interactions energy: -128.323
where: short stacking energy: -118.115
Base-Backbone interact. energy: 0.775
local terms energy: -297.485167
where:
bonds (distance) C4'-P energy: -78.893
bonds (distance) P-C4' energy: -94.764
flat angles C4'-P-C4' energy: -85.691
flat angles P-C4'-P energy: -38.850
tors. eta vs tors. theta energy: 0.713
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 315
Temperature: 1.300000
Total energy: -393.119206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.119206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -393.119206 (E_RNA)
where:
Base-Base interactions energy: -123.134
where: short stacking energy: -97.132
Base-Backbone interact. energy: -2.807
local terms energy: -267.177717
where:
bonds (distance) C4'-P energy: -71.900
bonds (distance) P-C4' energy: -83.480
flat angles C4'-P-C4' energy: -87.328
flat angles P-C4'-P energy: -40.079
tors. eta vs tors. theta energy: 15.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 315
Temperature: 1.350000
Total energy: -369.832071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.832071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.832071 (E_RNA)
where:
Base-Base interactions energy: -139.914
where: short stacking energy: -112.301
Base-Backbone interact. energy: 0.974
local terms energy: -230.892688
where:
bonds (distance) C4'-P energy: -78.182
bonds (distance) P-C4' energy: -77.002
flat angles C4'-P-C4' energy: -71.477
flat angles P-C4'-P energy: -33.889
tors. eta vs tors. theta energy: 29.658
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 316
Temperature: 0.900000
Total energy: -1291.592703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1291.592703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1291.592703 (E_RNA)
where:
Base-Base interactions energy: -799.385
where: short stacking energy: -444.058
Base-Backbone interact. energy: -3.559
local terms energy: -488.648863
where:
bonds (distance) C4'-P energy: -97.278
bonds (distance) P-C4' energy: -88.300
flat angles C4'-P-C4' energy: -99.497
flat angles P-C4'-P energy: -72.231
tors. eta vs tors. theta energy: -131.342
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 316
Temperature: 0.950000
Total energy: -1171.907643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1171.907643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1171.907643 (E_RNA)
where:
Base-Base interactions energy: -699.488
where: short stacking energy: -432.120
Base-Backbone interact. energy: -0.714
local terms energy: -471.704897
where:
bonds (distance) C4'-P energy: -82.713
bonds (distance) P-C4' energy: -92.313
flat angles C4'-P-C4' energy: -102.154
flat angles P-C4'-P energy: -59.750
tors. eta vs tors. theta energy: -134.775
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: 6
=====================================
Write number: 316
Temperature: 1.000000
Total energy: -943.693091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -943.693091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -943.693091 (E_RNA)
where:
Base-Base interactions energy: -547.244
where: short stacking energy: -325.178
Base-Backbone interact. energy: 1.209
local terms energy: -397.658396
where:
bonds (distance) C4'-P energy: -96.141
bonds (distance) P-C4' energy: -82.606
flat angles C4'-P-C4' energy: -89.080
flat angles P-C4'-P energy: -61.379
tors. eta vs tors. theta energy: -68.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 316
Temperature: 1.050000
Total energy: -732.528051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -732.528051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -732.528051 (E_RNA)
where:
Base-Base interactions energy: -362.184
where: short stacking energy: -243.814
Base-Backbone interact. energy: 0.309
local terms energy: -370.652807
where:
bonds (distance) C4'-P energy: -81.014
bonds (distance) P-C4' energy: -87.952
flat angles C4'-P-C4' energy: -85.901
flat angles P-C4'-P energy: -52.815
tors. eta vs tors. theta energy: -62.971
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: 8
=====================================
Write number: 316
Temperature: 1.100000
Total energy: -678.099049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -678.099049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -678.099049 (E_RNA)
where:
Base-Base interactions energy: -300.262
where: short stacking energy: -203.587
Base-Backbone interact. energy: -0.985
local terms energy: -376.852312
where:
bonds (distance) C4'-P energy: -86.027
bonds (distance) P-C4' energy: -99.346
flat angles C4'-P-C4' energy: -100.097
flat angles P-C4'-P energy: -50.842
tors. eta vs tors. theta energy: -40.540
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: 3
=====================================
Write number: 316
Temperature: 1.150000
Total energy: -524.236079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.236079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.236079 (E_RNA)
where:
Base-Base interactions energy: -210.840
where: short stacking energy: -177.461
Base-Backbone interact. energy: -0.562
local terms energy: -312.833618
where:
bonds (distance) C4'-P energy: -67.870
bonds (distance) P-C4' energy: -88.678
flat angles C4'-P-C4' energy: -80.753
flat angles P-C4'-P energy: -57.277
tors. eta vs tors. theta energy: -18.256
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 316
Temperature: 1.200000
Total energy: -449.446162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -449.446162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -449.446162 (E_RNA)
where:
Base-Base interactions energy: -156.964
where: short stacking energy: -132.770
Base-Backbone interact. energy: -0.463
local terms energy: -292.019432
where:
bonds (distance) C4'-P energy: -85.666
bonds (distance) P-C4' energy: -82.074
flat angles C4'-P-C4' energy: -78.047
flat angles P-C4'-P energy: -50.082
tors. eta vs tors. theta energy: 3.849
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: 316
Temperature: 1.250000
Total energy: -406.311438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.311438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -406.311438 (E_RNA)
where:
Base-Base interactions energy: -167.477
where: short stacking energy: -127.836
Base-Backbone interact. energy: 3.351
local terms energy: -242.184890
where:
bonds (distance) C4'-P energy: -77.788
bonds (distance) P-C4' energy: -70.399
flat angles C4'-P-C4' energy: -75.875
flat angles P-C4'-P energy: -37.839
tors. eta vs tors. theta energy: 19.716
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: 10
=====================================
Write number: 316
Temperature: 1.300000
Total energy: -362.314971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.314971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.314971 (E_RNA)
where:
Base-Base interactions energy: -102.431
where: short stacking energy: -101.991
Base-Backbone interact. energy: -0.872
local terms energy: -259.011308
where:
bonds (distance) C4'-P energy: -76.106
bonds (distance) P-C4' energy: -95.537
flat angles C4'-P-C4' energy: -65.902
flat angles P-C4'-P energy: -37.650
tors. eta vs tors. theta energy: 16.184
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: 10, replica: 5
=====================================
Write number: 316
Temperature: 1.350000
Total energy: -339.348663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.348663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.348663 (E_RNA)
where:
Base-Base interactions energy: -105.578
where: short stacking energy: -92.215
Base-Backbone interact. energy: -2.599
local terms energy: -231.172015
where:
bonds (distance) C4'-P energy: -63.388
bonds (distance) P-C4' energy: -77.695
flat angles C4'-P-C4' energy: -66.544
flat angles P-C4'-P energy: -36.845
tors. eta vs tors. theta energy: 13.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 317
Temperature: 0.900000
Total energy: -1274.404863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1274.404863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1274.404863 (E_RNA)
where:
Base-Base interactions energy: -778.719
where: short stacking energy: -423.918
Base-Backbone interact. energy: -0.741
local terms energy: -494.944950
where:
bonds (distance) C4'-P energy: -93.325
bonds (distance) P-C4' energy: -97.331
flat angles C4'-P-C4' energy: -100.531
flat angles P-C4'-P energy: -72.779
tors. eta vs tors. theta energy: -130.979
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 317
Temperature: 0.950000
Total energy: -1158.635568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1158.635568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1158.635568 (E_RNA)
where:
Base-Base interactions energy: -693.251
where: short stacking energy: -421.017
Base-Backbone interact. energy: -0.638
local terms energy: -464.746954
where:
bonds (distance) C4'-P energy: -83.907
bonds (distance) P-C4' energy: -86.462
flat angles C4'-P-C4' energy: -95.358
flat angles P-C4'-P energy: -63.324
tors. eta vs tors. theta energy: -135.695
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: 6
=====================================
Write number: 317
Temperature: 1.000000
Total energy: -976.031085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -976.031085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -976.031085 (E_RNA)
where:
Base-Base interactions energy: -561.484
where: short stacking energy: -327.563
Base-Backbone interact. energy: -0.424
local terms energy: -414.123225
where:
bonds (distance) C4'-P energy: -73.585
bonds (distance) P-C4' energy: -101.352
flat angles C4'-P-C4' energy: -98.182
flat angles P-C4'-P energy: -52.704
tors. eta vs tors. theta energy: -88.299
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 317
Temperature: 1.050000
Total energy: -684.626649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -684.626649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -684.626649 (E_RNA)
where:
Base-Base interactions energy: -334.182
where: short stacking energy: -214.712
Base-Backbone interact. energy: -1.413
local terms energy: -349.031643
where:
bonds (distance) C4'-P energy: -88.660
bonds (distance) P-C4' energy: -97.432
flat angles C4'-P-C4' energy: -81.634
flat angles P-C4'-P energy: -45.639
tors. eta vs tors. theta energy: -35.667
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: 7
=====================================
Write number: 317
Temperature: 1.100000
Total energy: -648.251995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -648.251995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -648.251995 (E_RNA)
where:
Base-Base interactions energy: -311.394
where: short stacking energy: -185.370
Base-Backbone interact. energy: -3.088
local terms energy: -333.769744
where:
bonds (distance) C4'-P energy: -89.434
bonds (distance) P-C4' energy: -86.226
flat angles C4'-P-C4' energy: -78.922
flat angles P-C4'-P energy: -55.852
tors. eta vs tors. theta energy: -23.335
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 317
Temperature: 1.150000
Total energy: -502.963103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.963103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.963103 (E_RNA)
where:
Base-Base interactions energy: -190.403
where: short stacking energy: -139.163
Base-Backbone interact. energy: 2.521
local terms energy: -315.081010
where:
bonds (distance) C4'-P energy: -89.517
bonds (distance) P-C4' energy: -88.736
flat angles C4'-P-C4' energy: -78.665
flat angles P-C4'-P energy: -42.679
tors. eta vs tors. theta energy: -15.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 317
Temperature: 1.200000
Total energy: -451.395773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -451.395773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -451.395773 (E_RNA)
where:
Base-Base interactions energy: -166.641
where: short stacking energy: -133.219
Base-Backbone interact. energy: 1.450
local terms energy: -286.203902
where:
bonds (distance) C4'-P energy: -72.720
bonds (distance) P-C4' energy: -83.254
flat angles C4'-P-C4' energy: -78.341
flat angles P-C4'-P energy: -43.618
tors. eta vs tors. theta energy: -8.270
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 317
Temperature: 1.250000
Total energy: -411.829059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.829059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.829059 (E_RNA)
where:
Base-Base interactions energy: -146.743
where: short stacking energy: -134.739
Base-Backbone interact. energy: 2.233
local terms energy: -267.318830
where:
bonds (distance) C4'-P energy: -72.391
bonds (distance) P-C4' energy: -87.865
flat angles C4'-P-C4' energy: -65.732
flat angles P-C4'-P energy: -46.418
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: 9, replica: 2
=====================================
Write number: 317
Temperature: 1.300000
Total energy: -378.638267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -378.638267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -378.638267 (E_RNA)
where:
Base-Base interactions energy: -109.441
where: short stacking energy: -98.063
Base-Backbone interact. energy: -0.856
local terms energy: -268.341276
where:
bonds (distance) C4'-P energy: -71.048
bonds (distance) P-C4' energy: -83.530
flat angles C4'-P-C4' energy: -77.518
flat angles P-C4'-P energy: -44.935
tors. eta vs tors. theta energy: 8.689
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 317
Temperature: 1.350000
Total energy: -354.662994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.662994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.662994 (E_RNA)
where:
Base-Base interactions energy: -107.267
where: short stacking energy: -89.588
Base-Backbone interact. energy: -0.910
local terms energy: -246.486701
where:
bonds (distance) C4'-P energy: -80.688
bonds (distance) P-C4' energy: -54.379
flat angles C4'-P-C4' energy: -71.582
flat angles P-C4'-P energy: -48.565
tors. eta vs tors. theta energy: 8.727
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: 318
Temperature: 0.900000
Total energy: -1289.459945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1289.459945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1289.459945 (E_RNA)
where:
Base-Base interactions energy: -808.509
where: short stacking energy: -441.516
Base-Backbone interact. energy: -1.929
local terms energy: -479.021671
where:
bonds (distance) C4'-P energy: -79.735
bonds (distance) P-C4' energy: -98.945
flat angles C4'-P-C4' energy: -95.823
flat angles P-C4'-P energy: -74.074
tors. eta vs tors. theta energy: -130.445
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: 4
=====================================
Write number: 318
Temperature: 0.950000
Total energy: -1172.098129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1172.098129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1172.098129 (E_RNA)
where:
Base-Base interactions energy: -688.435
where: short stacking energy: -384.580
Base-Backbone interact. energy: -1.069
local terms energy: -482.594289
where:
bonds (distance) C4'-P energy: -89.723
bonds (distance) P-C4' energy: -82.591
flat angles C4'-P-C4' energy: -106.825
flat angles P-C4'-P energy: -79.301
tors. eta vs tors. theta energy: -124.154
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 318
Temperature: 1.000000
Total energy: -999.803516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -999.803516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -999.803516 (E_RNA)
where:
Base-Base interactions energy: -567.907
where: short stacking energy: -351.481
Base-Backbone interact. energy: -0.418
local terms energy: -431.478375
where:
bonds (distance) C4'-P energy: -94.196
bonds (distance) P-C4' energy: -90.972
flat angles C4'-P-C4' energy: -95.044
flat angles P-C4'-P energy: -54.567
tors. eta vs tors. theta energy: -96.699
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 318
Temperature: 1.050000
Total energy: -729.991769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -729.991769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -729.991769 (E_RNA)
where:
Base-Base interactions energy: -332.837
where: short stacking energy: -224.005
Base-Backbone interact. energy: -2.032
local terms energy: -395.122167
where:
bonds (distance) C4'-P energy: -90.038
bonds (distance) P-C4' energy: -88.662
flat angles C4'-P-C4' energy: -93.652
flat angles P-C4'-P energy: -63.272
tors. eta vs tors. theta energy: -59.499
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 318
Temperature: 1.100000
Total energy: -667.098166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -667.098166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -667.098166 (E_RNA)
where:
Base-Base interactions energy: -332.252
where: short stacking energy: -232.111
Base-Backbone interact. energy: 1.863
local terms energy: -336.708844
where:
bonds (distance) C4'-P energy: -68.956
bonds (distance) P-C4' energy: -91.424
flat angles C4'-P-C4' energy: -81.032
flat angles P-C4'-P energy: -52.110
tors. eta vs tors. theta energy: -43.186
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: 6, replica: 3
=====================================
Write number: 318
Temperature: 1.150000
Total energy: -539.118253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.118253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.118253 (E_RNA)
where:
Base-Base interactions energy: -251.232
where: short stacking energy: -181.779
Base-Backbone interact. energy: 0.273
local terms energy: -288.159524
where:
bonds (distance) C4'-P energy: -82.678
bonds (distance) P-C4' energy: -77.683
flat angles C4'-P-C4' energy: -60.192
flat angles P-C4'-P energy: -58.655
tors. eta vs tors. theta energy: -8.952
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: 10
=====================================
Write number: 318
Temperature: 1.200000
Total energy: -461.703926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -461.703926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -461.703926 (E_RNA)
where:
Base-Base interactions energy: -188.157
where: short stacking energy: -167.586
Base-Backbone interact. energy: -0.938
local terms energy: -272.608985
where:
bonds (distance) C4'-P energy: -69.993
bonds (distance) P-C4' energy: -89.926
flat angles C4'-P-C4' energy: -58.035
flat angles P-C4'-P energy: -38.530
tors. eta vs tors. theta energy: -16.125
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: 8, replica: 9
=====================================
Write number: 318
Temperature: 1.250000
Total energy: -429.888104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -429.888104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -429.888104 (E_RNA)
where:
Base-Base interactions energy: -130.388
where: short stacking energy: -116.524
Base-Backbone interact. energy: -1.839
local terms energy: -297.660539
where:
bonds (distance) C4'-P energy: -95.214
bonds (distance) P-C4' energy: -93.468
flat angles C4'-P-C4' energy: -83.910
flat angles P-C4'-P energy: -36.879
tors. eta vs tors. theta energy: 11.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 318
Temperature: 1.300000
Total energy: -382.801992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -382.801992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -382.801992 (E_RNA)
where:
Base-Base interactions energy: -118.486
where: short stacking energy: -118.073
Base-Backbone interact. energy: -0.539
local terms energy: -263.777140
where:
bonds (distance) C4'-P energy: -75.500
bonds (distance) P-C4' energy: -90.974
flat angles C4'-P-C4' energy: -71.938
flat angles P-C4'-P energy: -34.002
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: 2
=====================================
Write number: 318
Temperature: 1.350000
Total energy: -362.886886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.886886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.886886 (E_RNA)
where:
Base-Base interactions energy: -114.593
where: short stacking energy: -110.499
Base-Backbone interact. energy: 1.968
local terms energy: -250.261797
where:
bonds (distance) C4'-P energy: -71.525
bonds (distance) P-C4' energy: -75.821
flat angles C4'-P-C4' energy: -75.349
flat angles P-C4'-P energy: -35.427
tors. eta vs tors. theta energy: 7.860
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: 319
Temperature: 0.900000
Total energy: -1289.176228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1289.176228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1289.176228 (E_RNA)
where:
Base-Base interactions energy: -782.148
where: short stacking energy: -452.792
Base-Backbone interact. energy: -0.776
local terms energy: -506.251672
where:
bonds (distance) C4'-P energy: -94.223
bonds (distance) P-C4' energy: -90.189
flat angles C4'-P-C4' energy: -107.079
flat angles P-C4'-P energy: -71.251
tors. eta vs tors. theta energy: -143.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 319
Temperature: 0.950000
Total energy: -1189.565050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1189.565050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1189.565050 (E_RNA)
where:
Base-Base interactions energy: -718.273
where: short stacking energy: -419.812
Base-Backbone interact. energy: 2.147
local terms energy: -473.439276
where:
bonds (distance) C4'-P energy: -86.913
bonds (distance) P-C4' energy: -90.737
flat angles C4'-P-C4' energy: -104.119
flat angles P-C4'-P energy: -71.317
tors. eta vs tors. theta energy: -120.354
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 319
Temperature: 1.000000
Total energy: -958.276918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -958.276918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -958.276918 (E_RNA)
where:
Base-Base interactions energy: -561.129
where: short stacking energy: -337.355
Base-Backbone interact. energy: -2.066
local terms energy: -395.081767
where:
bonds (distance) C4'-P energy: -83.364
bonds (distance) P-C4' energy: -79.744
flat angles C4'-P-C4' energy: -92.667
flat angles P-C4'-P energy: -53.189
tors. eta vs tors. theta energy: -86.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 319
Temperature: 1.050000
Total energy: -763.453960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -763.453960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -763.453960 (E_RNA)
where:
Base-Base interactions energy: -408.522
where: short stacking energy: -256.978
Base-Backbone interact. energy: -1.715
local terms energy: -353.216256
where:
bonds (distance) C4'-P energy: -77.598
bonds (distance) P-C4' energy: -78.323
flat angles C4'-P-C4' energy: -92.037
flat angles P-C4'-P energy: -42.590
tors. eta vs tors. theta energy: -62.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 319
Temperature: 1.100000
Total energy: -651.190503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -651.190503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -651.190503 (E_RNA)
where:
Base-Base interactions energy: -292.025
where: short stacking energy: -206.310
Base-Backbone interact. energy: -1.712
local terms energy: -357.454206
where:
bonds (distance) C4'-P energy: -76.734
bonds (distance) P-C4' energy: -96.921
flat angles C4'-P-C4' energy: -90.998
flat angles P-C4'-P energy: -56.060
tors. eta vs tors. theta energy: -36.741
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 319
Temperature: 1.150000
Total energy: -540.742303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.742303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.742303 (E_RNA)
where:
Base-Base interactions energy: -202.525
where: short stacking energy: -152.427
Base-Backbone interact. energy: -1.409
local terms energy: -336.808110
where:
bonds (distance) C4'-P energy: -89.386
bonds (distance) P-C4' energy: -94.929
flat angles C4'-P-C4' energy: -83.195
flat angles P-C4'-P energy: -45.063
tors. eta vs tors. theta energy: -24.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 319
Temperature: 1.200000
Total energy: -432.981285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -432.981285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -432.981285 (E_RNA)
where:
Base-Base interactions energy: -151.409
where: short stacking energy: -126.800
Base-Backbone interact. energy: -1.824
local terms energy: -279.748046
where:
bonds (distance) C4'-P energy: -82.898
bonds (distance) P-C4' energy: -87.004
flat angles C4'-P-C4' energy: -71.491
flat angles P-C4'-P energy: -39.513
tors. eta vs tors. theta energy: 1.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 319
Temperature: 1.250000
Total energy: -430.135959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -430.135959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -430.135959 (E_RNA)
where:
Base-Base interactions energy: -167.997
where: short stacking energy: -145.949
Base-Backbone interact. energy: 4.353
local terms energy: -266.491854
where:
bonds (distance) C4'-P energy: -67.298
bonds (distance) P-C4' energy: -89.274
flat angles C4'-P-C4' energy: -59.343
flat angles P-C4'-P energy: -37.749
tors. eta vs tors. theta energy: -12.827
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 319
Temperature: 1.300000
Total energy: -355.235282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.235282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.235282 (E_RNA)
where:
Base-Base interactions energy: -126.133
where: short stacking energy: -105.287
Base-Backbone interact. energy: 0.942
local terms energy: -230.044531
where:
bonds (distance) C4'-P energy: -63.535
bonds (distance) P-C4' energy: -90.933
flat angles C4'-P-C4' energy: -50.804
flat angles P-C4'-P energy: -42.344
tors. eta vs tors. theta energy: 17.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 319
Temperature: 1.350000
Total energy: -362.600985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.600985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.600985 (E_RNA)
where:
Base-Base interactions energy: -141.634
where: short stacking energy: -116.559
Base-Backbone interact. energy: -1.939
local terms energy: -219.028148
where:
bonds (distance) C4'-P energy: -54.814
bonds (distance) P-C4' energy: -86.104
flat angles C4'-P-C4' energy: -37.724
flat angles P-C4'-P energy: -43.203
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: 1, replica: 1
=====================================
Write number: 320
Temperature: 0.900000
Total energy: -1277.681979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1277.681979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1277.681979 (E_RNA)
where:
Base-Base interactions energy: -783.560
where: short stacking energy: -442.724
Base-Backbone interact. energy: -1.362
local terms energy: -492.760262
where:
bonds (distance) C4'-P energy: -89.742
bonds (distance) P-C4' energy: -96.077
flat angles C4'-P-C4' energy: -98.848
flat angles P-C4'-P energy: -74.923
tors. eta vs tors. theta energy: -133.170
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: 320
Temperature: 0.950000
Total energy: -1199.400424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1199.400424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1199.400424 (E_RNA)
where:
Base-Base interactions energy: -732.353
where: short stacking energy: -412.040
Base-Backbone interact. energy: -1.774
local terms energy: -465.273224
where:
bonds (distance) C4'-P energy: -89.364
bonds (distance) P-C4' energy: -102.630
flat angles C4'-P-C4' energy: -96.112
flat angles P-C4'-P energy: -60.425
tors. eta vs tors. theta energy: -116.742
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 320
Temperature: 1.000000
Total energy: -932.571074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -932.571074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -932.571074 (E_RNA)
where:
Base-Base interactions energy: -539.868
where: short stacking energy: -323.417
Base-Backbone interact. energy: -0.596
local terms energy: -392.107361
where:
bonds (distance) C4'-P energy: -83.530
bonds (distance) P-C4' energy: -78.276
flat angles C4'-P-C4' energy: -85.584
flat angles P-C4'-P energy: -66.639
tors. eta vs tors. theta energy: -78.078
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 320
Temperature: 1.050000
Total energy: -781.390913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -781.390913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -781.390913 (E_RNA)
where:
Base-Base interactions energy: -411.753
where: short stacking energy: -248.946
Base-Backbone interact. energy: -1.217
local terms energy: -368.421146
where:
bonds (distance) C4'-P energy: -78.393
bonds (distance) P-C4' energy: -93.015
flat angles C4'-P-C4' energy: -84.948
flat angles P-C4'-P energy: -65.148
tors. eta vs tors. theta energy: -46.917
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 320
Temperature: 1.100000
Total energy: -665.054909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -665.054909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -665.054909 (E_RNA)
where:
Base-Base interactions energy: -314.472
where: short stacking energy: -226.822
Base-Backbone interact. energy: -0.022
local terms energy: -350.561461
where:
bonds (distance) C4'-P energy: -87.827
bonds (distance) P-C4' energy: -96.207
flat angles C4'-P-C4' energy: -83.808
flat angles P-C4'-P energy: -41.680
tors. eta vs tors. theta energy: -41.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 320
Temperature: 1.150000
Total energy: -584.948615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -584.948615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -584.948615 (E_RNA)
where:
Base-Base interactions energy: -274.720
where: short stacking energy: -203.320
Base-Backbone interact. energy: 0.672
local terms energy: -310.900376
where:
bonds (distance) C4'-P energy: -85.879
bonds (distance) P-C4' energy: -82.191
flat angles C4'-P-C4' energy: -80.717
flat angles P-C4'-P energy: -33.104
tors. eta vs tors. theta energy: -29.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 320
Temperature: 1.200000
Total energy: -468.028927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -468.028927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -468.028927 (E_RNA)
where:
Base-Base interactions energy: -164.775
where: short stacking energy: -121.376
Base-Backbone interact. energy: -1.931
local terms energy: -301.323099
where:
bonds (distance) C4'-P energy: -87.241
bonds (distance) P-C4' energy: -88.923
flat angles C4'-P-C4' energy: -61.959
flat angles P-C4'-P energy: -50.347
tors. eta vs tors. theta energy: -12.853
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 320
Temperature: 1.250000
Total energy: -424.636100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -424.636100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -424.636100 (E_RNA)
where:
Base-Base interactions energy: -145.337
where: short stacking energy: -136.496
Base-Backbone interact. energy: -0.635
local terms energy: -278.664092
where:
bonds (distance) C4'-P energy: -75.990
bonds (distance) P-C4' energy: -81.767
flat angles C4'-P-C4' energy: -64.824
flat angles P-C4'-P energy: -39.332
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: 9, replica: 2
=====================================
Write number: 320
Temperature: 1.300000
Total energy: -407.380069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.380069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -407.380069 (E_RNA)
where:
Base-Base interactions energy: -146.600
where: short stacking energy: -124.826
Base-Backbone interact. energy: 0.971
local terms energy: -261.751783
where:
bonds (distance) C4'-P energy: -75.929
bonds (distance) P-C4' energy: -91.530
flat angles C4'-P-C4' energy: -60.760
flat angles P-C4'-P energy: -28.117
tors. eta vs tors. theta energy: -5.415
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: 10, replica: 9
=====================================
Write number: 320
Temperature: 1.350000
Total energy: -354.663969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.663969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.663969 (E_RNA)
where:
Base-Base interactions energy: -101.510
where: short stacking energy: -81.226
Base-Backbone interact. energy: 1.550
local terms energy: -254.704457
where:
bonds (distance) C4'-P energy: -77.791
bonds (distance) P-C4' energy: -89.100
flat angles C4'-P-C4' energy: -72.230
flat angles P-C4'-P energy: -34.944
tors. eta vs tors. theta energy: 19.362
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: 1
=====================================
Write number: 321
Temperature: 0.900000
Total energy: -1293.164526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1293.164526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1293.164526 (E_RNA)
where:
Base-Base interactions energy: -815.949
where: short stacking energy: -471.307
Base-Backbone interact. energy: -2.132
local terms energy: -475.083328
where:
bonds (distance) C4'-P energy: -94.990
bonds (distance) P-C4' energy: -75.107
flat angles C4'-P-C4' energy: -107.851
flat angles P-C4'-P energy: -59.389
tors. eta vs tors. theta energy: -137.746
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 321
Temperature: 0.950000
Total energy: -1213.573494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1213.573494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1213.573494 (E_RNA)
where:
Base-Base interactions energy: -741.016
where: short stacking energy: -420.502
Base-Backbone interact. energy: 0.248
local terms energy: -472.805951
where:
bonds (distance) C4'-P energy: -97.535
bonds (distance) P-C4' energy: -89.480
flat angles C4'-P-C4' energy: -102.467
flat angles P-C4'-P energy: -64.256
tors. eta vs tors. theta energy: -119.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 321
Temperature: 1.000000
Total energy: -905.107571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -905.107571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -905.107571 (E_RNA)
where:
Base-Base interactions energy: -514.973
where: short stacking energy: -308.307
Base-Backbone interact. energy: -2.692
local terms energy: -387.442269
where:
bonds (distance) C4'-P energy: -76.531
bonds (distance) P-C4' energy: -96.682
flat angles C4'-P-C4' energy: -86.442
flat angles P-C4'-P energy: -57.552
tors. eta vs tors. theta energy: -70.234
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 321
Temperature: 1.050000
Total energy: -797.563607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -797.563607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -797.563607 (E_RNA)
where:
Base-Base interactions energy: -427.758
where: short stacking energy: -268.781
Base-Backbone interact. energy: 0.187
local terms energy: -369.992285
where:
bonds (distance) C4'-P energy: -83.547
bonds (distance) P-C4' energy: -93.497
flat angles C4'-P-C4' energy: -92.698
flat angles P-C4'-P energy: -59.300
tors. eta vs tors. theta energy: -40.950
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 321
Temperature: 1.100000
Total energy: -655.388952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -655.388952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -655.388952 (E_RNA)
where:
Base-Base interactions energy: -318.425
where: short stacking energy: -217.976
Base-Backbone interact. energy: 0.983
local terms energy: -337.947651
where:
bonds (distance) C4'-P energy: -86.526
bonds (distance) P-C4' energy: -85.127
flat angles C4'-P-C4' energy: -82.923
flat angles P-C4'-P energy: -43.906
tors. eta vs tors. theta energy: -39.466
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 321
Temperature: 1.150000
Total energy: -578.763128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -578.763128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -578.763128 (E_RNA)
where:
Base-Base interactions energy: -241.253
where: short stacking energy: -164.930
Base-Backbone interact. energy: 0.334
local terms energy: -337.843776
where:
bonds (distance) C4'-P energy: -90.066
bonds (distance) P-C4' energy: -88.152
flat angles C4'-P-C4' energy: -79.421
flat angles P-C4'-P energy: -50.156
tors. eta vs tors. theta energy: -30.050
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 321
Temperature: 1.200000
Total energy: -488.407282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.407282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.407282 (E_RNA)
where:
Base-Base interactions energy: -195.913
where: short stacking energy: -150.135
Base-Backbone interact. energy: 1.742
local terms energy: -294.235944
where:
bonds (distance) C4'-P energy: -83.797
bonds (distance) P-C4' energy: -77.666
flat angles C4'-P-C4' energy: -74.512
flat angles P-C4'-P energy: -45.094
tors. eta vs tors. theta energy: -13.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 321
Temperature: 1.250000
Total energy: -401.663152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -401.663152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -401.663152 (E_RNA)
where:
Base-Base interactions energy: -110.735
where: short stacking energy: -103.601
Base-Backbone interact. energy: 0.956
local terms energy: -291.885077
where:
bonds (distance) C4'-P energy: -95.912
bonds (distance) P-C4' energy: -83.090
flat angles C4'-P-C4' energy: -62.595
flat angles P-C4'-P energy: -62.861
tors. eta vs tors. theta energy: 12.573
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 321
Temperature: 1.300000
Total energy: -384.173770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -384.173770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -384.173770 (E_RNA)
where:
Base-Base interactions energy: -134.474
where: short stacking energy: -116.540
Base-Backbone interact. energy: -1.488
local terms energy: -248.211609
where:
bonds (distance) C4'-P energy: -65.299
bonds (distance) P-C4' energy: -86.495
flat angles C4'-P-C4' energy: -65.725
flat angles P-C4'-P energy: -39.549
tors. eta vs tors. theta energy: 8.857
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: 9
=====================================
Write number: 321
Temperature: 1.350000
Total energy: -348.898894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.898894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.898894 (E_RNA)
where:
Base-Base interactions energy: -118.164
where: short stacking energy: -103.859
Base-Backbone interact. energy: 0.244
local terms energy: -230.979017
where:
bonds (distance) C4'-P energy: -74.770
bonds (distance) P-C4' energy: -68.451
flat angles C4'-P-C4' energy: -63.608
flat angles P-C4'-P energy: -36.339
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: 1, replica: 1
=====================================
Write number: 322
Temperature: 0.900000
Total energy: -1271.727339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1271.727339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1271.727339 (E_RNA)
where:
Base-Base interactions energy: -791.656
where: short stacking energy: -430.292
Base-Backbone interact. energy: -2.340
local terms energy: -477.731375
where:
bonds (distance) C4'-P energy: -84.059
bonds (distance) P-C4' energy: -96.568
flat angles C4'-P-C4' energy: -97.677
flat angles P-C4'-P energy: -68.495
tors. eta vs tors. theta energy: -130.932
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: 2, replica: 4
=====================================
Write number: 322
Temperature: 0.950000
Total energy: -1164.929525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1164.929525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1164.929525 (E_RNA)
where:
Base-Base interactions energy: -696.196
where: short stacking energy: -414.132
Base-Backbone interact. energy: -0.625
local terms energy: -468.108926
where:
bonds (distance) C4'-P energy: -100.599
bonds (distance) P-C4' energy: -88.776
flat angles C4'-P-C4' energy: -96.025
flat angles P-C4'-P energy: -59.532
tors. eta vs tors. theta energy: -123.176
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: 6
=====================================
Write number: 322
Temperature: 1.000000
Total energy: -900.056595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -900.056595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -900.056595 (E_RNA)
where:
Base-Base interactions energy: -494.735
where: short stacking energy: -311.134
Base-Backbone interact. energy: -1.356
local terms energy: -403.965268
where:
bonds (distance) C4'-P energy: -72.744
bonds (distance) P-C4' energy: -87.507
flat angles C4'-P-C4' energy: -101.224
flat angles P-C4'-P energy: -61.876
tors. eta vs tors. theta energy: -80.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 322
Temperature: 1.050000
Total energy: -788.182923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -788.182923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -788.182923 (E_RNA)
where:
Base-Base interactions energy: -421.878
where: short stacking energy: -265.111
Base-Backbone interact. energy: -1.005
local terms energy: -365.299540
where:
bonds (distance) C4'-P energy: -67.770
bonds (distance) P-C4' energy: -101.766
flat angles C4'-P-C4' energy: -81.741
flat angles P-C4'-P energy: -48.680
tors. eta vs tors. theta energy: -65.343
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 322
Temperature: 1.100000
Total energy: -691.342445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -691.342445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -691.342445 (E_RNA)
where:
Base-Base interactions energy: -339.315
where: short stacking energy: -228.381
Base-Backbone interact. energy: -1.359
local terms energy: -350.668166
where:
bonds (distance) C4'-P energy: -78.300
bonds (distance) P-C4' energy: -84.245
flat angles C4'-P-C4' energy: -88.054
flat angles P-C4'-P energy: -71.190
tors. eta vs tors. theta energy: -28.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 322
Temperature: 1.150000
Total energy: -603.217889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -603.217889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -603.217889 (E_RNA)
where:
Base-Base interactions energy: -287.772
where: short stacking energy: -181.522
Base-Backbone interact. energy: 0.436
local terms energy: -315.882404
where:
bonds (distance) C4'-P energy: -89.829
bonds (distance) P-C4' energy: -92.131
flat angles C4'-P-C4' energy: -68.023
flat angles P-C4'-P energy: -52.718
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: 7, replica: 5
=====================================
Write number: 322
Temperature: 1.200000
Total energy: -446.170680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -446.170680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -446.170680 (E_RNA)
where:
Base-Base interactions energy: -161.692
where: short stacking energy: -139.674
Base-Backbone interact. energy: -1.467
local terms energy: -283.011226
where:
bonds (distance) C4'-P energy: -79.823
bonds (distance) P-C4' energy: -74.027
flat angles C4'-P-C4' energy: -76.326
flat angles P-C4'-P energy: -48.424
tors. eta vs tors. theta energy: -4.412
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 322
Temperature: 1.250000
Total energy: -425.240597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -425.240597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -425.240597 (E_RNA)
where:
Base-Base interactions energy: -111.868
where: short stacking energy: -100.887
Base-Backbone interact. energy: 3.951
local terms energy: -317.323395
where:
bonds (distance) C4'-P energy: -96.527
bonds (distance) P-C4' energy: -94.069
flat angles C4'-P-C4' energy: -66.587
flat angles P-C4'-P energy: -49.468
tors. eta vs tors. theta energy: -10.672
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: 9
=====================================
Write number: 322
Temperature: 1.300000
Total energy: -375.970932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -375.970932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -375.970932 (E_RNA)
where:
Base-Base interactions energy: -155.078
where: short stacking energy: -125.098
Base-Backbone interact. energy: 2.390
local terms energy: -223.283042
where:
bonds (distance) C4'-P energy: -72.598
bonds (distance) P-C4' energy: -77.438
flat angles C4'-P-C4' energy: -46.584
flat angles P-C4'-P energy: -25.892
tors. eta vs tors. theta energy: -0.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 322
Temperature: 1.350000
Total energy: -354.720487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.720487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.720487 (E_RNA)
where:
Base-Base interactions energy: -117.556
where: short stacking energy: -101.759
Base-Backbone interact. energy: 4.084
local terms energy: -241.248890
where:
bonds (distance) C4'-P energy: -69.243
bonds (distance) P-C4' energy: -88.382
flat angles C4'-P-C4' energy: -66.773
flat angles P-C4'-P energy: -34.105
tors. eta vs tors. theta energy: 17.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 323
Temperature: 0.900000
Total energy: -1243.163449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1243.163449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1243.163449 (E_RNA)
where:
Base-Base interactions energy: -757.271
where: short stacking energy: -434.904
Base-Backbone interact. energy: 0.376
local terms energy: -486.268350
where:
bonds (distance) C4'-P energy: -99.048
bonds (distance) P-C4' energy: -81.855
flat angles C4'-P-C4' energy: -102.170
flat angles P-C4'-P energy: -69.472
tors. eta vs tors. theta energy: -133.723
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: 323
Temperature: 0.950000
Total energy: -1195.663557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1195.663557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1195.663557 (E_RNA)
where:
Base-Base interactions energy: -726.571
where: short stacking energy: -409.608
Base-Backbone interact. energy: -1.469
local terms energy: -467.623926
where:
bonds (distance) C4'-P energy: -84.366
bonds (distance) P-C4' energy: -86.152
flat angles C4'-P-C4' energy: -102.770
flat angles P-C4'-P energy: -67.756
tors. eta vs tors. theta energy: -126.581
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: 6
=====================================
Write number: 323
Temperature: 1.000000
Total energy: -960.855117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -960.855117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -960.855117 (E_RNA)
where:
Base-Base interactions energy: -543.532
where: short stacking energy: -306.354
Base-Backbone interact. energy: -3.927
local terms energy: -413.396149
where:
bonds (distance) C4'-P energy: -85.486
bonds (distance) P-C4' energy: -97.564
flat angles C4'-P-C4' energy: -86.508
flat angles P-C4'-P energy: -68.990
tors. eta vs tors. theta energy: -74.848
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: 7
=====================================
Write number: 323
Temperature: 1.050000
Total energy: -815.898393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -815.898393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -815.898393 (E_RNA)
where:
Base-Base interactions energy: -417.606
where: short stacking energy: -274.965
Base-Backbone interact. energy: -0.863
local terms energy: -397.429516
where:
bonds (distance) C4'-P energy: -90.835
bonds (distance) P-C4' energy: -96.907
flat angles C4'-P-C4' energy: -85.306
flat angles P-C4'-P energy: -59.587
tors. eta vs tors. theta energy: -64.794
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 323
Temperature: 1.100000
Total energy: -624.704439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -624.704439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -624.704439 (E_RNA)
where:
Base-Base interactions energy: -311.681
where: short stacking energy: -202.033
Base-Backbone interact. energy: -0.009
local terms energy: -313.014516
where:
bonds (distance) C4'-P energy: -76.715
bonds (distance) P-C4' energy: -82.810
flat angles C4'-P-C4' energy: -71.563
flat angles P-C4'-P energy: -57.355
tors. eta vs tors. theta energy: -24.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 323
Temperature: 1.150000
Total energy: -640.449659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -640.449659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -640.449659 (E_RNA)
where:
Base-Base interactions energy: -320.135
where: short stacking energy: -191.794
Base-Backbone interact. energy: -1.311
local terms energy: -319.004205
where:
bonds (distance) C4'-P energy: -74.165
bonds (distance) P-C4' energy: -95.420
flat angles C4'-P-C4' energy: -64.433
flat angles P-C4'-P energy: -59.081
tors. eta vs tors. theta energy: -25.906
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: 5
=====================================
Write number: 323
Temperature: 1.200000
Total energy: -457.114850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -457.114850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -457.114850 (E_RNA)
where:
Base-Base interactions energy: -151.301
where: short stacking energy: -135.407
Base-Backbone interact. energy: -0.800
local terms energy: -305.013118
where:
bonds (distance) C4'-P energy: -72.566
bonds (distance) P-C4' energy: -86.674
flat angles C4'-P-C4' energy: -81.251
flat angles P-C4'-P energy: -60.309
tors. eta vs tors. theta energy: -4.214
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 323
Temperature: 1.250000
Total energy: -425.928211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -425.928211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -425.928211 (E_RNA)
where:
Base-Base interactions energy: -174.771
where: short stacking energy: -145.629
Base-Backbone interact. energy: -1.300
local terms energy: -249.857206
where:
bonds (distance) C4'-P energy: -72.218
bonds (distance) P-C4' energy: -56.401
flat angles C4'-P-C4' energy: -68.266
flat angles P-C4'-P energy: -49.184
tors. eta vs tors. theta energy: -3.789
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 323
Temperature: 1.300000
Total energy: -383.846975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -383.846975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -383.846975 (E_RNA)
where:
Base-Base interactions energy: -139.753
where: short stacking energy: -112.036
Base-Backbone interact. energy: 7.605
local terms energy: -251.699018
where:
bonds (distance) C4'-P energy: -58.858
bonds (distance) P-C4' energy: -85.609
flat angles C4'-P-C4' energy: -72.714
flat angles P-C4'-P energy: -46.845
tors. eta vs tors. theta energy: 12.326
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: 2
=====================================
Write number: 323
Temperature: 1.350000
Total energy: -373.453593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.453593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.453593 (E_RNA)
where:
Base-Base interactions energy: -136.320
where: short stacking energy: -128.029
Base-Backbone interact. energy: -2.355
local terms energy: -234.779065
where:
bonds (distance) C4'-P energy: -60.206
bonds (distance) P-C4' energy: -85.634
flat angles C4'-P-C4' energy: -57.729
flat angles P-C4'-P energy: -40.353
tors. eta vs tors. theta energy: 9.143
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: 1
=====================================
Write number: 324
Temperature: 0.900000
Total energy: -1287.486662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1287.486662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1287.486662 (E_RNA)
where:
Base-Base interactions energy: -789.476
where: short stacking energy: -433.546
Base-Backbone interact. energy: -2.478
local terms energy: -495.532751
where:
bonds (distance) C4'-P energy: -87.004
bonds (distance) P-C4' energy: -103.629
flat angles C4'-P-C4' energy: -100.040
flat angles P-C4'-P energy: -69.537
tors. eta vs tors. theta energy: -135.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 324
Temperature: 0.950000
Total energy: -1129.294123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1129.294123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1129.294123 (E_RNA)
where:
Base-Base interactions energy: -644.828
where: short stacking energy: -398.453
Base-Backbone interact. energy: -0.712
local terms energy: -483.754165
where:
bonds (distance) C4'-P energy: -90.336
bonds (distance) P-C4' energy: -88.317
flat angles C4'-P-C4' energy: -111.893
flat angles P-C4'-P energy: -68.169
tors. eta vs tors. theta energy: -125.039
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 324
Temperature: 1.000000
Total energy: -913.374666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -913.374666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -913.374666 (E_RNA)
where:
Base-Base interactions energy: -501.914
where: short stacking energy: -296.138
Base-Backbone interact. energy: -1.561
local terms energy: -409.899543
where:
bonds (distance) C4'-P energy: -86.475
bonds (distance) P-C4' energy: -92.361
flat angles C4'-P-C4' energy: -99.405
flat angles P-C4'-P energy: -61.936
tors. eta vs tors. theta energy: -69.722
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: 7
=====================================
Write number: 324
Temperature: 1.050000
Total energy: -863.574061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -863.574061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -863.574061 (E_RNA)
where:
Base-Base interactions energy: -443.149
where: short stacking energy: -310.449
Base-Backbone interact. energy: 0.577
local terms energy: -421.001457
where:
bonds (distance) C4'-P energy: -85.602
bonds (distance) P-C4' energy: -88.533
flat angles C4'-P-C4' energy: -94.657
flat angles P-C4'-P energy: -62.364
tors. eta vs tors. theta energy: -89.845
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: 5, replica: 3
=====================================
Write number: 324
Temperature: 1.100000
Total energy: -659.212586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -659.212586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -659.212586 (E_RNA)
where:
Base-Base interactions energy: -310.009
where: short stacking energy: -190.681
Base-Backbone interact. energy: 0.538
local terms energy: -349.741314
where:
bonds (distance) C4'-P energy: -98.656
bonds (distance) P-C4' energy: -86.731
flat angles C4'-P-C4' energy: -79.065
flat angles P-C4'-P energy: -47.854
tors. eta vs tors. theta energy: -37.436
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: 8
=====================================
Write number: 324
Temperature: 1.150000
Total energy: -598.793433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -598.793433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -598.793433 (E_RNA)
where:
Base-Base interactions energy: -257.867
where: short stacking energy: -183.586
Base-Backbone interact. energy: -0.998
local terms energy: -339.928336
where:
bonds (distance) C4'-P energy: -79.613
bonds (distance) P-C4' energy: -96.402
flat angles C4'-P-C4' energy: -79.263
flat angles P-C4'-P energy: -43.256
tors. eta vs tors. theta energy: -41.394
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: 324
Temperature: 1.200000
Total energy: -480.461903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -480.461903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -480.461903 (E_RNA)
where:
Base-Base interactions energy: -204.879
where: short stacking energy: -159.088
Base-Backbone interact. energy: 1.553
local terms energy: -277.135410
where:
bonds (distance) C4'-P energy: -80.496
bonds (distance) P-C4' energy: -69.817
flat angles C4'-P-C4' energy: -66.191
flat angles P-C4'-P energy: -46.874
tors. eta vs tors. theta energy: -13.757
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: 5
=====================================
Write number: 324
Temperature: 1.250000
Total energy: -387.092133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -387.092133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -387.092133 (E_RNA)
where:
Base-Base interactions energy: -125.912
where: short stacking energy: -105.644
Base-Backbone interact. energy: -1.669
local terms energy: -259.511125
where:
bonds (distance) C4'-P energy: -74.192
bonds (distance) P-C4' energy: -81.848
flat angles C4'-P-C4' energy: -67.568
flat angles P-C4'-P energy: -44.247
tors. eta vs tors. theta energy: 8.345
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 324
Temperature: 1.300000
Total energy: -369.371468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.371468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.371468 (E_RNA)
where:
Base-Base interactions energy: -92.308
where: short stacking energy: -81.600
Base-Backbone interact. energy: 0.842
local terms energy: -277.905873
where:
bonds (distance) C4'-P energy: -76.697
bonds (distance) P-C4' energy: -92.130
flat angles C4'-P-C4' energy: -72.319
flat angles P-C4'-P energy: -45.077
tors. eta vs tors. theta energy: 8.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 324
Temperature: 1.350000
Total energy: -327.776594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.776594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.776594 (E_RNA)
where:
Base-Base interactions energy: -106.746
where: short stacking energy: -78.882
Base-Backbone interact. energy: -0.895
local terms energy: -220.135132
where:
bonds (distance) C4'-P energy: -65.796
bonds (distance) P-C4' energy: -74.837
flat angles C4'-P-C4' energy: -58.009
flat angles P-C4'-P energy: -32.600
tors. eta vs tors. theta energy: 11.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 325
Temperature: 0.900000
Total energy: -1274.469526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1274.469526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1274.469526 (E_RNA)
where:
Base-Base interactions energy: -784.693
where: short stacking energy: -446.690
Base-Backbone interact. energy: -2.413
local terms energy: -487.363686
where:
bonds (distance) C4'-P energy: -85.489
bonds (distance) P-C4' energy: -89.801
flat angles C4'-P-C4' energy: -108.536
flat angles P-C4'-P energy: -65.424
tors. eta vs tors. theta energy: -138.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 325
Temperature: 0.950000
Total energy: -1173.370614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1173.370614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1173.370614 (E_RNA)
where:
Base-Base interactions energy: -685.877
where: short stacking energy: -432.295
Base-Backbone interact. energy: -0.364
local terms energy: -487.129730
where:
bonds (distance) C4'-P energy: -93.193
bonds (distance) P-C4' energy: -95.437
flat angles C4'-P-C4' energy: -105.351
flat angles P-C4'-P energy: -64.897
tors. eta vs tors. theta energy: -128.253
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: 3, replica: 6
=====================================
Write number: 325
Temperature: 1.000000
Total energy: -876.517490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -876.517490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -876.517490 (E_RNA)
where:
Base-Base interactions energy: -479.847
where: short stacking energy: -288.613
Base-Backbone interact. energy: 0.639
local terms energy: -397.309904
where:
bonds (distance) C4'-P energy: -76.887
bonds (distance) P-C4' energy: -91.147
flat angles C4'-P-C4' energy: -96.018
flat angles P-C4'-P energy: -67.952
tors. eta vs tors. theta energy: -65.306
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: 7
=====================================
Write number: 325
Temperature: 1.050000
Total energy: -855.609615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -855.609615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -855.609615 (E_RNA)
where:
Base-Base interactions energy: -460.439
where: short stacking energy: -337.291
Base-Backbone interact. energy: 1.901
local terms energy: -397.071543
where:
bonds (distance) C4'-P energy: -93.834
bonds (distance) P-C4' energy: -93.913
flat angles C4'-P-C4' energy: -87.965
flat angles P-C4'-P energy: -50.165
tors. eta vs tors. theta energy: -71.194
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 325
Temperature: 1.100000
Total energy: -670.562310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -670.562310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -670.562310 (E_RNA)
where:
Base-Base interactions energy: -330.505
where: short stacking energy: -221.498
Base-Backbone interact. energy: 1.945
local terms energy: -342.002807
where:
bonds (distance) C4'-P energy: -79.925
bonds (distance) P-C4' energy: -85.640
flat angles C4'-P-C4' energy: -75.301
flat angles P-C4'-P energy: -60.825
tors. eta vs tors. theta energy: -40.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 325
Temperature: 1.150000
Total energy: -522.500205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.500205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.500205 (E_RNA)
where:
Base-Base interactions energy: -199.073
where: short stacking energy: -145.497
Base-Backbone interact. energy: -1.183
local terms energy: -322.244332
where:
bonds (distance) C4'-P energy: -89.460
bonds (distance) P-C4' energy: -88.668
flat angles C4'-P-C4' energy: -78.673
flat angles P-C4'-P energy: -52.456
tors. eta vs tors. theta energy: -12.987
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 325
Temperature: 1.200000
Total energy: -452.278126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -452.278126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -452.278126 (E_RNA)
where:
Base-Base interactions energy: -176.603
where: short stacking energy: -153.927
Base-Backbone interact. energy: 0.981
local terms energy: -276.656212
where:
bonds (distance) C4'-P energy: -75.044
bonds (distance) P-C4' energy: -69.357
flat angles C4'-P-C4' energy: -67.695
flat angles P-C4'-P energy: -44.402
tors. eta vs tors. theta energy: -20.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 325
Temperature: 1.250000
Total energy: -391.860120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.860120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -391.860120 (E_RNA)
where:
Base-Base interactions energy: -126.605
where: short stacking energy: -111.289
Base-Backbone interact. energy: 0.939
local terms energy: -266.194120
where:
bonds (distance) C4'-P energy: -70.020
bonds (distance) P-C4' energy: -89.637
flat angles C4'-P-C4' energy: -73.841
flat angles P-C4'-P energy: -35.088
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: 9, replica: 5
=====================================
Write number: 325
Temperature: 1.300000
Total energy: -382.493485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -382.493485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -382.493485 (E_RNA)
where:
Base-Base interactions energy: -135.885
where: short stacking energy: -116.610
Base-Backbone interact. energy: 2.202
local terms energy: -248.810158
where:
bonds (distance) C4'-P energy: -75.398
bonds (distance) P-C4' energy: -80.341
flat angles C4'-P-C4' energy: -57.745
flat angles P-C4'-P energy: -45.957
tors. eta vs tors. theta energy: 10.631
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 325
Temperature: 1.350000
Total energy: -348.129439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.129439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.129439 (E_RNA)
where:
Base-Base interactions energy: -117.069
where: short stacking energy: -95.006
Base-Backbone interact. energy: -1.481
local terms energy: -229.580146
where:
bonds (distance) C4'-P energy: -64.683
bonds (distance) P-C4' energy: -77.937
flat angles C4'-P-C4' energy: -72.376
flat angles P-C4'-P energy: -32.802
tors. eta vs tors. theta energy: 18.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 326
Temperature: 0.900000
Total energy: -1271.071783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1271.071783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1271.071783 (E_RNA)
where:
Base-Base interactions energy: -778.534
where: short stacking energy: -438.974
Base-Backbone interact. energy: -2.665
local terms energy: -489.873370
where:
bonds (distance) C4'-P energy: -86.455
bonds (distance) P-C4' energy: -87.196
flat angles C4'-P-C4' energy: -102.203
flat angles P-C4'-P energy: -76.369
tors. eta vs tors. theta energy: -137.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 326
Temperature: 0.950000
Total energy: -1174.310506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1174.310506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1174.310506 (E_RNA)
where:
Base-Base interactions energy: -702.654
where: short stacking energy: -440.482
Base-Backbone interact. energy: -0.530
local terms energy: -471.127131
where:
bonds (distance) C4'-P energy: -87.301
bonds (distance) P-C4' energy: -83.034
flat angles C4'-P-C4' energy: -102.350
flat angles P-C4'-P energy: -69.568
tors. eta vs tors. theta energy: -128.874
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 326
Temperature: 1.000000
Total energy: -895.342796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -895.342796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -895.342796 (E_RNA)
where:
Base-Base interactions energy: -492.218
where: short stacking energy: -290.252
Base-Backbone interact. energy: 3.844
local terms energy: -406.969101
where:
bonds (distance) C4'-P energy: -92.711
bonds (distance) P-C4' energy: -87.326
flat angles C4'-P-C4' energy: -91.320
flat angles P-C4'-P energy: -67.321
tors. eta vs tors. theta energy: -68.291
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 326
Temperature: 1.050000
Total energy: -775.877058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -775.877058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -775.877058 (E_RNA)
where:
Base-Base interactions energy: -402.757
where: short stacking energy: -277.045
Base-Backbone interact. energy: -1.503
local terms energy: -371.617303
where:
bonds (distance) C4'-P energy: -73.294
bonds (distance) P-C4' energy: -91.494
flat angles C4'-P-C4' energy: -82.260
flat angles P-C4'-P energy: -61.494
tors. eta vs tors. theta energy: -63.074
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: 3
=====================================
Write number: 326
Temperature: 1.100000
Total energy: -661.264132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -661.264132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -661.264132 (E_RNA)
where:
Base-Base interactions energy: -343.978
where: short stacking energy: -215.894
Base-Backbone interact. energy: -0.500
local terms energy: -316.785630
where:
bonds (distance) C4'-P energy: -66.921
bonds (distance) P-C4' energy: -87.324
flat angles C4'-P-C4' energy: -74.047
flat angles P-C4'-P energy: -43.523
tors. eta vs tors. theta energy: -44.970
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: 6, replica: 8
=====================================
Write number: 326
Temperature: 1.150000
Total energy: -562.266535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -562.266535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -562.266535 (E_RNA)
where:
Base-Base interactions energy: -266.962
where: short stacking energy: -170.731
Base-Backbone interact. energy: -0.235
local terms energy: -295.068999
where:
bonds (distance) C4'-P energy: -78.044
bonds (distance) P-C4' energy: -69.127
flat angles C4'-P-C4' energy: -62.232
flat angles P-C4'-P energy: -59.587
tors. eta vs tors. theta energy: -26.079
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: 9
=====================================
Write number: 326
Temperature: 1.200000
Total energy: -443.019948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -443.019948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -443.019948 (E_RNA)
where:
Base-Base interactions energy: -156.305
where: short stacking energy: -141.183
Base-Backbone interact. energy: 0.189
local terms energy: -286.903622
where:
bonds (distance) C4'-P energy: -90.556
bonds (distance) P-C4' energy: -77.214
flat angles C4'-P-C4' energy: -73.555
flat angles P-C4'-P energy: -46.956
tors. eta vs tors. theta energy: 1.377
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 326
Temperature: 1.250000
Total energy: -404.386527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -404.386527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -404.386527 (E_RNA)
where:
Base-Base interactions energy: -139.375
where: short stacking energy: -133.229
Base-Backbone interact. energy: 2.050
local terms energy: -267.061243
where:
bonds (distance) C4'-P energy: -68.456
bonds (distance) P-C4' energy: -74.825
flat angles C4'-P-C4' energy: -77.323
flat angles P-C4'-P energy: -42.301
tors. eta vs tors. theta energy: -4.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 326
Temperature: 1.300000
Total energy: -372.135032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -372.135032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -372.135032 (E_RNA)
where:
Base-Base interactions energy: -110.169
where: short stacking energy: -91.947
Base-Backbone interact. energy: 1.352
local terms energy: -263.318381
where:
bonds (distance) C4'-P energy: -81.554
bonds (distance) P-C4' energy: -83.589
flat angles C4'-P-C4' energy: -65.222
flat angles P-C4'-P energy: -48.006
tors. eta vs tors. theta energy: 15.052
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: 5
=====================================
Write number: 326
Temperature: 1.350000
Total energy: -350.249169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.249169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.249169 (E_RNA)
where:
Base-Base interactions energy: -104.588
where: short stacking energy: -98.426
Base-Backbone interact. energy: -1.122
local terms energy: -244.539279
where:
bonds (distance) C4'-P energy: -64.605
bonds (distance) P-C4' energy: -87.567
flat angles C4'-P-C4' energy: -55.729
flat angles P-C4'-P energy: -42.143
tors. eta vs tors. theta energy: 5.505
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: 1
=====================================
Write number: 327
Temperature: 0.900000
Total energy: -1326.454883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1326.454883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1326.454883 (E_RNA)
where:
Base-Base interactions energy: -825.048
where: short stacking energy: -446.818
Base-Backbone interact. energy: -2.475
local terms energy: -498.931838
where:
bonds (distance) C4'-P energy: -82.619
bonds (distance) P-C4' energy: -91.841
flat angles C4'-P-C4' energy: -108.847
flat angles P-C4'-P energy: -75.324
tors. eta vs tors. theta energy: -140.301
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: 4
=====================================
Write number: 327
Temperature: 0.950000
Total energy: -1173.514847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1173.514847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1173.514847 (E_RNA)
where:
Base-Base interactions energy: -700.014
where: short stacking energy: -415.140
Base-Backbone interact. energy: -0.855
local terms energy: -472.646093
where:
bonds (distance) C4'-P energy: -96.428
bonds (distance) P-C4' energy: -92.041
flat angles C4'-P-C4' energy: -97.341
flat angles P-C4'-P energy: -60.113
tors. eta vs tors. theta energy: -126.722
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: 3, replica: 6
=====================================
Write number: 327
Temperature: 1.000000
Total energy: -907.700675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -907.700675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -907.700675 (E_RNA)
where:
Base-Base interactions energy: -516.597
where: short stacking energy: -329.720
Base-Backbone interact. energy: 6.741
local terms energy: -397.844583
where:
bonds (distance) C4'-P energy: -88.192
bonds (distance) P-C4' energy: -76.486
flat angles C4'-P-C4' energy: -91.380
flat angles P-C4'-P energy: -68.650
tors. eta vs tors. theta energy: -73.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 327
Temperature: 1.050000
Total energy: -747.161046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -747.161046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -747.161046 (E_RNA)
where:
Base-Base interactions energy: -379.528
where: short stacking energy: -235.759
Base-Backbone interact. energy: -0.905
local terms energy: -366.728024
where:
bonds (distance) C4'-P energy: -89.849
bonds (distance) P-C4' energy: -92.892
flat angles C4'-P-C4' energy: -93.721
flat angles P-C4'-P energy: -45.101
tors. eta vs tors. theta energy: -45.165
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: 3
=====================================
Write number: 327
Temperature: 1.100000
Total energy: -694.853514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -694.853514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -694.853514 (E_RNA)
where:
Base-Base interactions energy: -361.563
where: short stacking energy: -241.315
Base-Backbone interact. energy: -2.081
local terms energy: -331.209750
where:
bonds (distance) C4'-P energy: -86.378
bonds (distance) P-C4' energy: -85.725
flat angles C4'-P-C4' energy: -81.049
flat angles P-C4'-P energy: -51.463
tors. eta vs tors. theta energy: -26.596
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 327
Temperature: 1.150000
Total energy: -575.057999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -575.057999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -575.057999 (E_RNA)
where:
Base-Base interactions energy: -249.339
where: short stacking energy: -149.266
Base-Backbone interact. energy: -1.222
local terms energy: -324.496322
where:
bonds (distance) C4'-P energy: -79.397
bonds (distance) P-C4' energy: -87.177
flat angles C4'-P-C4' energy: -87.402
flat angles P-C4'-P energy: -52.427
tors. eta vs tors. theta energy: -18.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 327
Temperature: 1.200000
Total energy: -481.407804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.407804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -481.407804 (E_RNA)
where:
Base-Base interactions energy: -183.791
where: short stacking energy: -160.608
Base-Backbone interact. energy: 3.442
local terms energy: -301.058612
where:
bonds (distance) C4'-P energy: -75.627
bonds (distance) P-C4' energy: -95.266
flat angles C4'-P-C4' energy: -72.199
flat angles P-C4'-P energy: -34.638
tors. eta vs tors. theta energy: -23.330
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: 2
=====================================
Write number: 327
Temperature: 1.250000
Total energy: -402.709899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -402.709899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -402.709899 (E_RNA)
where:
Base-Base interactions energy: -159.433
where: short stacking energy: -124.940
Base-Backbone interact. energy: 0.982
local terms energy: -244.259107
where:
bonds (distance) C4'-P energy: -67.082
bonds (distance) P-C4' energy: -83.048
flat angles C4'-P-C4' energy: -64.784
flat angles P-C4'-P energy: -40.235
tors. eta vs tors. theta energy: 10.890
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: 327
Temperature: 1.300000
Total energy: -363.223285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.223285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.223285 (E_RNA)
where:
Base-Base interactions energy: -119.714
where: short stacking energy: -110.850
Base-Backbone interact. energy: -1.162
local terms energy: -242.347680
where:
bonds (distance) C4'-P energy: -69.883
bonds (distance) P-C4' energy: -77.902
flat angles C4'-P-C4' energy: -75.711
flat angles P-C4'-P energy: -38.925
tors. eta vs tors. theta energy: 20.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 327
Temperature: 1.350000
Total energy: -371.170997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.170997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.170997 (E_RNA)
where:
Base-Base interactions energy: -114.411
where: short stacking energy: -105.998
Base-Backbone interact. energy: -0.273
local terms energy: -256.486699
where:
bonds (distance) C4'-P energy: -70.119
bonds (distance) P-C4' energy: -90.734
flat angles C4'-P-C4' energy: -59.909
flat angles P-C4'-P energy: -27.556
tors. eta vs tors. theta energy: -8.168
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: 328
Temperature: 0.900000
Total energy: -1295.472050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1295.472050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1295.472050 (E_RNA)
where:
Base-Base interactions energy: -802.431
where: short stacking energy: -433.381
Base-Backbone interact. energy: -2.341
local terms energy: -490.700115
where:
bonds (distance) C4'-P energy: -78.367
bonds (distance) P-C4' energy: -100.207
flat angles C4'-P-C4' energy: -105.009
flat angles P-C4'-P energy: -71.397
tors. eta vs tors. theta energy: -135.720
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: 328
Temperature: 0.950000
Total energy: -1194.612631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1194.612631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1194.612631 (E_RNA)
where:
Base-Base interactions energy: -711.647
where: short stacking energy: -430.742
Base-Backbone interact. energy: -0.948
local terms energy: -482.017516
where:
bonds (distance) C4'-P energy: -91.605
bonds (distance) P-C4' energy: -87.161
flat angles C4'-P-C4' energy: -104.679
flat angles P-C4'-P energy: -65.065
tors. eta vs tors. theta energy: -133.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 328
Temperature: 1.000000
Total energy: -907.039830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -907.039830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -907.039830 (E_RNA)
where:
Base-Base interactions energy: -504.282
where: short stacking energy: -325.360
Base-Backbone interact. energy: -1.774
local terms energy: -400.983978
where:
bonds (distance) C4'-P energy: -85.313
bonds (distance) P-C4' energy: -77.124
flat angles C4'-P-C4' energy: -89.306
flat angles P-C4'-P energy: -64.137
tors. eta vs tors. theta energy: -85.104
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: 7
=====================================
Write number: 328
Temperature: 1.050000
Total energy: -732.538100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -732.538100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -732.538100 (E_RNA)
where:
Base-Base interactions energy: -366.489
where: short stacking energy: -233.430
Base-Backbone interact. energy: -0.658
local terms energy: -365.390783
where:
bonds (distance) C4'-P energy: -92.010
bonds (distance) P-C4' energy: -93.202
flat angles C4'-P-C4' energy: -84.654
flat angles P-C4'-P energy: -41.607
tors. eta vs tors. theta energy: -53.918
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: 5, replica: 3
=====================================
Write number: 328
Temperature: 1.100000
Total energy: -677.150756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -677.150756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -677.150756 (E_RNA)
where:
Base-Base interactions energy: -324.209
where: short stacking energy: -221.018
Base-Backbone interact. energy: 0.151
local terms energy: -353.092807
where:
bonds (distance) C4'-P energy: -84.755
bonds (distance) P-C4' energy: -92.110
flat angles C4'-P-C4' energy: -79.702
flat angles P-C4'-P energy: -40.120
tors. eta vs tors. theta energy: -56.406
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: 8
=====================================
Write number: 328
Temperature: 1.150000
Total energy: -577.156521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -577.156521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -577.156521 (E_RNA)
where:
Base-Base interactions energy: -264.414
where: short stacking energy: -203.136
Base-Backbone interact. energy: 1.843
local terms energy: -314.585683
where:
bonds (distance) C4'-P energy: -68.997
bonds (distance) P-C4' energy: -88.697
flat angles C4'-P-C4' energy: -74.551
flat angles P-C4'-P energy: -54.155
tors. eta vs tors. theta energy: -28.185
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: 7, replica: 9
=====================================
Write number: 328
Temperature: 1.200000
Total energy: -448.838093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -448.838093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -448.838093 (E_RNA)
where:
Base-Base interactions energy: -159.663
where: short stacking energy: -130.894
Base-Backbone interact. energy: -1.410
local terms energy: -287.765211
where:
bonds (distance) C4'-P energy: -76.934
bonds (distance) P-C4' energy: -91.464
flat angles C4'-P-C4' energy: -79.635
flat angles P-C4'-P energy: -54.080
tors. eta vs tors. theta energy: 14.349
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: 8, replica: 2
=====================================
Write number: 328
Temperature: 1.250000
Total energy: -444.589602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -444.589602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -444.589602 (E_RNA)
where:
Base-Base interactions energy: -160.776
where: short stacking energy: -110.506
Base-Backbone interact. energy: 0.723
local terms energy: -284.536736
where:
bonds (distance) C4'-P energy: -90.568
bonds (distance) P-C4' energy: -92.847
flat angles C4'-P-C4' energy: -56.096
flat angles P-C4'-P energy: -52.840
tors. eta vs tors. theta energy: 7.814
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 328
Temperature: 1.300000
Total energy: -380.379974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -380.379974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -380.379974 (E_RNA)
where:
Base-Base interactions energy: -122.945
where: short stacking energy: -110.709
Base-Backbone interact. energy: 2.326
local terms energy: -259.760975
where:
bonds (distance) C4'-P energy: -81.493
bonds (distance) P-C4' energy: -75.154
flat angles C4'-P-C4' energy: -69.986
flat angles P-C4'-P energy: -49.382
tors. eta vs tors. theta energy: 16.254
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 328
Temperature: 1.350000
Total energy: -339.781607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.781607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.781607 (E_RNA)
where:
Base-Base interactions energy: -99.192
where: short stacking energy: -92.388
Base-Backbone interact. energy: 1.091
local terms energy: -241.679746
where:
bonds (distance) C4'-P energy: -67.853
bonds (distance) P-C4' energy: -91.198
flat angles C4'-P-C4' energy: -67.864
flat angles P-C4'-P energy: -14.734
tors. eta vs tors. theta energy: -0.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 329
Temperature: 0.900000
Total energy: -1317.545979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1317.545979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1317.545979 (E_RNA)
where:
Base-Base interactions energy: -818.076
where: short stacking energy: -457.722
Base-Backbone interact. energy: -0.804
local terms energy: -498.665893
where:
bonds (distance) C4'-P energy: -92.892
bonds (distance) P-C4' energy: -91.228
flat angles C4'-P-C4' energy: -94.625
flat angles P-C4'-P energy: -71.379
tors. eta vs tors. theta energy: -148.542
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 329
Temperature: 0.950000
Total energy: -1149.431270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1149.431270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1149.431270 (E_RNA)
where:
Base-Base interactions energy: -702.052
where: short stacking energy: -418.414
Base-Backbone interact. energy: -1.238
local terms energy: -446.140847
where:
bonds (distance) C4'-P energy: -74.195
bonds (distance) P-C4' energy: -94.109
flat angles C4'-P-C4' energy: -89.421
flat angles P-C4'-P energy: -58.677
tors. eta vs tors. theta energy: -129.738
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 329
Temperature: 1.000000
Total energy: -881.057729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -881.057729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -881.057729 (E_RNA)
where:
Base-Base interactions energy: -493.452
where: short stacking energy: -293.125
Base-Backbone interact. energy: -0.660
local terms energy: -386.946490
where:
bonds (distance) C4'-P energy: -84.281
bonds (distance) P-C4' energy: -85.143
flat angles C4'-P-C4' energy: -92.696
flat angles P-C4'-P energy: -63.137
tors. eta vs tors. theta energy: -61.690
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: 7
=====================================
Write number: 329
Temperature: 1.050000
Total energy: -752.830277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -752.830277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -752.830277 (E_RNA)
where:
Base-Base interactions energy: -370.911
where: short stacking energy: -270.526
Base-Backbone interact. energy: 0.971
local terms energy: -382.889876
where:
bonds (distance) C4'-P energy: -96.108
bonds (distance) P-C4' energy: -80.567
flat angles C4'-P-C4' energy: -79.720
flat angles P-C4'-P energy: -64.347
tors. eta vs tors. theta energy: -62.148
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 329
Temperature: 1.100000
Total energy: -705.837854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -705.837854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -705.837854 (E_RNA)
where:
Base-Base interactions energy: -370.748
where: short stacking energy: -264.859
Base-Backbone interact. energy: 0.243
local terms energy: -335.333577
where:
bonds (distance) C4'-P energy: -77.702
bonds (distance) P-C4' energy: -89.287
flat angles C4'-P-C4' energy: -76.379
flat angles P-C4'-P energy: -39.230
tors. eta vs tors. theta energy: -52.735
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: 6, replica: 8
=====================================
Write number: 329
Temperature: 1.150000
Total energy: -536.535798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.535798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.535798 (E_RNA)
where:
Base-Base interactions energy: -210.126
where: short stacking energy: -152.828
Base-Backbone interact. energy: -1.807
local terms energy: -324.602965
where:
bonds (distance) C4'-P energy: -79.409
bonds (distance) P-C4' energy: -88.817
flat angles C4'-P-C4' energy: -81.925
flat angles P-C4'-P energy: -56.771
tors. eta vs tors. theta energy: -17.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 329
Temperature: 1.200000
Total energy: -445.618215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -445.618215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -445.618215 (E_RNA)
where:
Base-Base interactions energy: -166.633
where: short stacking energy: -144.579
Base-Backbone interact. energy: -1.905
local terms energy: -277.081026
where:
bonds (distance) C4'-P energy: -72.106
bonds (distance) P-C4' energy: -87.152
flat angles C4'-P-C4' energy: -65.546
flat angles P-C4'-P energy: -43.961
tors. eta vs tors. theta energy: -8.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 329
Temperature: 1.250000
Total energy: -415.184382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -415.184382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -415.184382 (E_RNA)
where:
Base-Base interactions energy: -127.967
where: short stacking energy: -105.912
Base-Backbone interact. energy: -2.197
local terms energy: -285.021146
where:
bonds (distance) C4'-P energy: -82.064
bonds (distance) P-C4' energy: -83.653
flat angles C4'-P-C4' energy: -75.634
flat angles P-C4'-P energy: -56.231
tors. eta vs tors. theta energy: 12.561
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 329
Temperature: 1.300000
Total energy: -378.521976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -378.521976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -378.521976 (E_RNA)
where:
Base-Base interactions energy: -103.995
where: short stacking energy: -100.796
Base-Backbone interact. energy: -2.819
local terms energy: -271.708387
where:
bonds (distance) C4'-P energy: -86.488
bonds (distance) P-C4' energy: -81.412
flat angles C4'-P-C4' energy: -74.125
flat angles P-C4'-P energy: -36.819
tors. eta vs tors. theta energy: 7.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 329
Temperature: 1.350000
Total energy: -370.187656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.187656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.187656 (E_RNA)
where:
Base-Base interactions energy: -112.323
where: short stacking energy: -91.092
Base-Backbone interact. energy: -0.472
local terms energy: -257.392998
where:
bonds (distance) C4'-P energy: -71.829
bonds (distance) P-C4' energy: -88.739
flat angles C4'-P-C4' energy: -70.598
flat angles P-C4'-P energy: -31.851
tors. eta vs tors. theta energy: 5.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 330
Temperature: 0.900000
Total energy: -1297.055784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1297.055784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1297.055784 (E_RNA)
where:
Base-Base interactions energy: -785.362
where: short stacking energy: -444.012
Base-Backbone interact. energy: 1.285
local terms energy: -512.978889
where:
bonds (distance) C4'-P energy: -94.814
bonds (distance) P-C4' energy: -101.013
flat angles C4'-P-C4' energy: -101.063
flat angles P-C4'-P energy: -72.216
tors. eta vs tors. theta energy: -143.873
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: 4
=====================================
Write number: 330
Temperature: 0.950000
Total energy: -1144.952931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1144.952931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1144.952931 (E_RNA)
where:
Base-Base interactions energy: -670.784
where: short stacking energy: -394.095
Base-Backbone interact. energy: 0.561
local terms energy: -474.730062
where:
bonds (distance) C4'-P energy: -101.595
bonds (distance) P-C4' energy: -83.908
flat angles C4'-P-C4' energy: -102.444
flat angles P-C4'-P energy: -60.434
tors. eta vs tors. theta energy: -126.350
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 330
Temperature: 1.000000
Total energy: -954.608320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -954.608320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -954.608320 (E_RNA)
where:
Base-Base interactions energy: -524.717
where: short stacking energy: -328.802
Base-Backbone interact. energy: 0.391
local terms energy: -430.282342
where:
bonds (distance) C4'-P energy: -88.210
bonds (distance) P-C4' energy: -96.745
flat angles C4'-P-C4' energy: -109.123
flat angles P-C4'-P energy: -60.955
tors. eta vs tors. theta energy: -75.250
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 330
Temperature: 1.050000
Total energy: -794.677741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -794.677741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -794.677741 (E_RNA)
where:
Base-Base interactions energy: -404.245
where: short stacking energy: -269.649
Base-Backbone interact. energy: -1.390
local terms energy: -389.043080
where:
bonds (distance) C4'-P energy: -85.947
bonds (distance) P-C4' energy: -84.177
flat angles C4'-P-C4' energy: -85.211
flat angles P-C4'-P energy: -61.783
tors. eta vs tors. theta energy: -71.925
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: 3
=====================================
Write number: 330
Temperature: 1.100000
Total energy: -659.684420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -659.684420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -659.684420 (E_RNA)
where:
Base-Base interactions energy: -301.644
where: short stacking energy: -226.479
Base-Backbone interact. energy: -0.470
local terms energy: -357.570775
where:
bonds (distance) C4'-P energy: -90.564
bonds (distance) P-C4' energy: -88.838
flat angles C4'-P-C4' energy: -73.172
flat angles P-C4'-P energy: -51.281
tors. eta vs tors. theta energy: -53.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 330
Temperature: 1.150000
Total energy: -562.105945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -562.105945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -562.105945 (E_RNA)
where:
Base-Base interactions energy: -248.367
where: short stacking energy: -185.381
Base-Backbone interact. energy: -0.798
local terms energy: -312.940520
where:
bonds (distance) C4'-P energy: -82.332
bonds (distance) P-C4' energy: -85.509
flat angles C4'-P-C4' energy: -59.156
flat angles P-C4'-P energy: -59.429
tors. eta vs tors. theta energy: -26.515
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 330
Temperature: 1.200000
Total energy: -464.801615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -464.801615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -464.801615 (E_RNA)
where:
Base-Base interactions energy: -176.897
where: short stacking energy: -132.914
Base-Backbone interact. energy: 1.225
local terms energy: -289.129291
where:
bonds (distance) C4'-P energy: -81.493
bonds (distance) P-C4' energy: -92.904
flat angles C4'-P-C4' energy: -65.860
flat angles P-C4'-P energy: -45.904
tors. eta vs tors. theta energy: -2.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 330
Temperature: 1.250000
Total energy: -399.953909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -399.953909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -399.953909 (E_RNA)
where:
Base-Base interactions energy: -133.509
where: short stacking energy: -122.031
Base-Backbone interact. energy: 4.094
local terms energy: -270.538861
where:
bonds (distance) C4'-P energy: -88.790
bonds (distance) P-C4' energy: -79.506
flat angles C4'-P-C4' energy: -64.243
flat angles P-C4'-P energy: -41.620
tors. eta vs tors. theta energy: 3.620
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: 5
=====================================
Write number: 330
Temperature: 1.300000
Total energy: -357.037887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.037887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.037887 (E_RNA)
where:
Base-Base interactions energy: -103.612
where: short stacking energy: -86.260
Base-Backbone interact. energy: 1.748
local terms energy: -255.173325
where:
bonds (distance) C4'-P energy: -84.891
bonds (distance) P-C4' energy: -83.729
flat angles C4'-P-C4' energy: -65.493
flat angles P-C4'-P energy: -38.456
tors. eta vs tors. theta energy: 17.395
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: 10
=====================================
Write number: 330
Temperature: 1.350000
Total energy: -350.108277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.108277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.108277 (E_RNA)
where:
Base-Base interactions energy: -107.792
where: short stacking energy: -86.935
Base-Backbone interact. energy: 0.829
local terms energy: -243.145615
where:
bonds (distance) C4'-P energy: -81.914
bonds (distance) P-C4' energy: -82.019
flat angles C4'-P-C4' energy: -55.116
flat angles P-C4'-P energy: -43.181
tors. eta vs tors. theta energy: 19.084
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: 1
=====================================
Write number: 331
Temperature: 0.900000
Total energy: -1299.966416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1299.966416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1299.966416 (E_RNA)
where:
Base-Base interactions energy: -795.424
where: short stacking energy: -471.828
Base-Backbone interact. energy: -0.568
local terms energy: -503.974262
where:
bonds (distance) C4'-P energy: -90.251
bonds (distance) P-C4' energy: -87.577
flat angles C4'-P-C4' energy: -111.218
flat angles P-C4'-P energy: -76.333
tors. eta vs tors. theta energy: -138.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 331
Temperature: 0.950000
Total energy: -1189.428181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1189.428181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1189.428181 (E_RNA)
where:
Base-Base interactions energy: -711.586
where: short stacking energy: -422.066
Base-Backbone interact. energy: -1.332
local terms energy: -476.510644
where:
bonds (distance) C4'-P energy: -92.896
bonds (distance) P-C4' energy: -95.050
flat angles C4'-P-C4' energy: -92.994
flat angles P-C4'-P energy: -67.202
tors. eta vs tors. theta energy: -128.368
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 331
Temperature: 1.000000
Total energy: -908.658262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -908.658262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -908.658262 (E_RNA)
where:
Base-Base interactions energy: -500.868
where: short stacking energy: -302.819
Base-Backbone interact. energy: -1.836
local terms energy: -405.954565
where:
bonds (distance) C4'-P energy: -85.693
bonds (distance) P-C4' energy: -81.909
flat angles C4'-P-C4' energy: -92.986
flat angles P-C4'-P energy: -58.046
tors. eta vs tors. theta energy: -87.321
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 331
Temperature: 1.050000
Total energy: -752.799753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -752.799753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -752.799753 (E_RNA)
where:
Base-Base interactions energy: -374.610
where: short stacking energy: -257.412
Base-Backbone interact. energy: 0.529
local terms energy: -378.718475
where:
bonds (distance) C4'-P energy: -81.788
bonds (distance) P-C4' energy: -95.170
flat angles C4'-P-C4' energy: -84.330
flat angles P-C4'-P energy: -60.273
tors. eta vs tors. theta energy: -57.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 331
Temperature: 1.100000
Total energy: -644.783662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -644.783662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -644.783662 (E_RNA)
where:
Base-Base interactions energy: -313.410
where: short stacking energy: -224.847
Base-Backbone interact. energy: 0.358
local terms energy: -331.731398
where:
bonds (distance) C4'-P energy: -68.157
bonds (distance) P-C4' energy: -86.648
flat angles C4'-P-C4' energy: -82.646
flat angles P-C4'-P energy: -54.136
tors. eta vs tors. theta energy: -40.145
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: 6, replica: 8
=====================================
Write number: 331
Temperature: 1.150000
Total energy: -549.344061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.344061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.344061 (E_RNA)
where:
Base-Base interactions energy: -234.177
where: short stacking energy: -176.460
Base-Backbone interact. energy: 0.333
local terms energy: -315.500605
where:
bonds (distance) C4'-P energy: -89.907
bonds (distance) P-C4' energy: -77.167
flat angles C4'-P-C4' energy: -79.058
flat angles P-C4'-P energy: -34.388
tors. eta vs tors. theta energy: -34.981
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 331
Temperature: 1.200000
Total energy: -434.194659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -434.194659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -434.194659 (E_RNA)
where:
Base-Base interactions energy: -160.364
where: short stacking energy: -134.483
Base-Backbone interact. energy: 1.031
local terms energy: -274.861744
where:
bonds (distance) C4'-P energy: -66.067
bonds (distance) P-C4' energy: -92.651
flat angles C4'-P-C4' energy: -83.197
flat angles P-C4'-P energy: -45.015
tors. eta vs tors. theta energy: 12.068
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: 5
=====================================
Write number: 331
Temperature: 1.250000
Total energy: -421.810179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.810179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -421.810179 (E_RNA)
where:
Base-Base interactions energy: -157.766
where: short stacking energy: -147.951
Base-Backbone interact. energy: 0.813
local terms energy: -264.857308
where:
bonds (distance) C4'-P energy: -60.806
bonds (distance) P-C4' energy: -65.741
flat angles C4'-P-C4' energy: -92.436
flat angles P-C4'-P energy: -40.972
tors. eta vs tors. theta energy: -4.901
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 331
Temperature: 1.300000
Total energy: -364.114885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.114885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.114885 (E_RNA)
where:
Base-Base interactions energy: -120.912
where: short stacking energy: -106.740
Base-Backbone interact. energy: 2.544
local terms energy: -245.746655
where:
bonds (distance) C4'-P energy: -73.337
bonds (distance) P-C4' energy: -75.445
flat angles C4'-P-C4' energy: -60.710
flat angles P-C4'-P energy: -47.836
tors. eta vs tors. theta energy: 11.580
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 331
Temperature: 1.350000
Total energy: -382.550987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -382.550987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -382.550987 (E_RNA)
where:
Base-Base interactions energy: -120.874
where: short stacking energy: -115.189
Base-Backbone interact. energy: 4.927
local terms energy: -266.603413
where:
bonds (distance) C4'-P energy: -61.111
bonds (distance) P-C4' energy: -67.861
flat angles C4'-P-C4' energy: -92.429
flat angles P-C4'-P energy: -44.617
tors. eta vs tors. theta energy: -0.586
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 332
Temperature: 0.900000
Total energy: -1278.671634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1278.671634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1278.671634 (E_RNA)
where:
Base-Base interactions energy: -771.703
where: short stacking energy: -439.978
Base-Backbone interact. energy: -0.663
local terms energy: -506.305574
where:
bonds (distance) C4'-P energy: -101.299
bonds (distance) P-C4' energy: -90.564
flat angles C4'-P-C4' energy: -105.134
flat angles P-C4'-P energy: -73.558
tors. eta vs tors. theta energy: -135.750
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 332
Temperature: 0.950000
Total energy: -1129.580245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1129.580245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1129.580245 (E_RNA)
where:
Base-Base interactions energy: -648.145
where: short stacking energy: -400.706
Base-Backbone interact. energy: -0.974
local terms energy: -480.461098
where:
bonds (distance) C4'-P energy: -92.955
bonds (distance) P-C4' energy: -88.905
flat angles C4'-P-C4' energy: -101.653
flat angles P-C4'-P energy: -78.329
tors. eta vs tors. theta energy: -118.620
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: 3, replica: 6
=====================================
Write number: 332
Temperature: 1.000000
Total energy: -909.119922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -909.119922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -909.119922 (E_RNA)
where:
Base-Base interactions energy: -497.766
where: short stacking energy: -287.016
Base-Backbone interact. energy: -0.623
local terms energy: -410.731040
where:
bonds (distance) C4'-P energy: -94.565
bonds (distance) P-C4' energy: -93.366
flat angles C4'-P-C4' energy: -102.941
flat angles P-C4'-P energy: -49.906
tors. eta vs tors. theta energy: -69.953
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 332
Temperature: 1.050000
Total energy: -760.071445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -760.071445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -760.071445 (E_RNA)
where:
Base-Base interactions energy: -402.629
where: short stacking energy: -268.446
Base-Backbone interact. energy: 1.568
local terms energy: -359.010245
where:
bonds (distance) C4'-P energy: -74.538
bonds (distance) P-C4' energy: -87.270
flat angles C4'-P-C4' energy: -92.918
flat angles P-C4'-P energy: -54.488
tors. eta vs tors. theta energy: -49.795
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 332
Temperature: 1.100000
Total energy: -656.843920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -656.843920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -656.843920 (E_RNA)
where:
Base-Base interactions energy: -322.167
where: short stacking energy: -218.699
Base-Backbone interact. energy: -1.405
local terms energy: -333.271866
where:
bonds (distance) C4'-P energy: -77.723
bonds (distance) P-C4' energy: -86.796
flat angles C4'-P-C4' energy: -80.629
flat angles P-C4'-P energy: -49.553
tors. eta vs tors. theta energy: -38.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 332
Temperature: 1.150000
Total energy: -586.857440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -586.857440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -586.857440 (E_RNA)
where:
Base-Base interactions energy: -275.461
where: short stacking energy: -205.835
Base-Backbone interact. energy: -1.063
local terms energy: -310.332762
where:
bonds (distance) C4'-P energy: -83.525
bonds (distance) P-C4' energy: -87.303
flat angles C4'-P-C4' energy: -87.212
flat angles P-C4'-P energy: -35.297
tors. eta vs tors. theta energy: -16.995
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 332
Temperature: 1.200000
Total energy: -444.582490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -444.582490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -444.582490 (E_RNA)
where:
Base-Base interactions energy: -169.590
where: short stacking energy: -130.800
Base-Backbone interact. energy: 4.586
local terms energy: -279.578878
where:
bonds (distance) C4'-P energy: -80.522
bonds (distance) P-C4' energy: -79.707
flat angles C4'-P-C4' energy: -66.529
flat angles P-C4'-P energy: -47.044
tors. eta vs tors. theta energy: -5.777
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 332
Temperature: 1.250000
Total energy: -398.862557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -398.862557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -398.862557 (E_RNA)
where:
Base-Base interactions energy: -114.637
where: short stacking energy: -103.691
Base-Backbone interact. energy: -0.932
local terms energy: -283.292902
where:
bonds (distance) C4'-P energy: -84.232
bonds (distance) P-C4' energy: -85.391
flat angles C4'-P-C4' energy: -80.300
flat angles P-C4'-P energy: -42.486
tors. eta vs tors. theta energy: 9.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 332
Temperature: 1.300000
Total energy: -375.362327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -375.362327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -375.362327 (E_RNA)
where:
Base-Base interactions energy: -127.958
where: short stacking energy: -112.618
Base-Backbone interact. energy: 0.312
local terms energy: -247.716560
where:
bonds (distance) C4'-P energy: -81.887
bonds (distance) P-C4' energy: -74.602
flat angles C4'-P-C4' energy: -63.438
flat angles P-C4'-P energy: -35.321
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: 10, replica: 2
=====================================
Write number: 332
Temperature: 1.350000
Total energy: -349.678976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.678976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.678976 (E_RNA)
where:
Base-Base interactions energy: -135.019
where: short stacking energy: -105.803
Base-Backbone interact. energy: 0.667
local terms energy: -215.327001
where:
bonds (distance) C4'-P energy: -61.407
bonds (distance) P-C4' energy: -66.567
flat angles C4'-P-C4' energy: -64.669
flat angles P-C4'-P energy: -45.817
tors. eta vs tors. theta energy: 23.132
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 333
Temperature: 0.900000
Total energy: -1263.465439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1263.465439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1263.465439 (E_RNA)
where:
Base-Base interactions energy: -786.045
where: short stacking energy: -417.778
Base-Backbone interact. energy: -0.580
local terms energy: -476.840500
where:
bonds (distance) C4'-P energy: -93.993
bonds (distance) P-C4' energy: -84.651
flat angles C4'-P-C4' energy: -103.955
flat angles P-C4'-P energy: -66.494
tors. eta vs tors. theta energy: -127.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 333
Temperature: 0.950000
Total energy: -1139.725518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1139.725518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1139.725518 (E_RNA)
where:
Base-Base interactions energy: -670.386
where: short stacking energy: -372.370
Base-Backbone interact. energy: -1.505
local terms energy: -467.835208
where:
bonds (distance) C4'-P energy: -88.641
bonds (distance) P-C4' energy: -101.415
flat angles C4'-P-C4' energy: -100.071
flat angles P-C4'-P energy: -68.072
tors. eta vs tors. theta energy: -109.637
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: 6
=====================================
Write number: 333
Temperature: 1.000000
Total energy: -913.092067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -913.092067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -913.092067 (E_RNA)
where:
Base-Base interactions energy: -486.065
where: short stacking energy: -313.484
Base-Backbone interact. energy: -3.157
local terms energy: -423.870140
where:
bonds (distance) C4'-P energy: -69.877
bonds (distance) P-C4' energy: -104.678
flat angles C4'-P-C4' energy: -99.685
flat angles P-C4'-P energy: -65.155
tors. eta vs tors. theta energy: -84.475
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: 7
=====================================
Write number: 333
Temperature: 1.050000
Total energy: -798.456130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -798.456130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -798.456130 (E_RNA)
where:
Base-Base interactions energy: -413.863
where: short stacking energy: -273.747
Base-Backbone interact. energy: 1.108
local terms energy: -385.700954
where:
bonds (distance) C4'-P energy: -86.412
bonds (distance) P-C4' energy: -79.376
flat angles C4'-P-C4' energy: -92.606
flat angles P-C4'-P energy: -60.606
tors. eta vs tors. theta energy: -66.701
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: 3
=====================================
Write number: 333
Temperature: 1.100000
Total energy: -635.293561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -635.293561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -635.293561 (E_RNA)
where:
Base-Base interactions energy: -285.136
where: short stacking energy: -187.247
Base-Backbone interact. energy: 1.945
local terms energy: -352.102475
where:
bonds (distance) C4'-P energy: -95.995
bonds (distance) P-C4' energy: -90.136
flat angles C4'-P-C4' energy: -82.983
flat angles P-C4'-P energy: -55.154
tors. eta vs tors. theta energy: -27.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 333
Temperature: 1.150000
Total energy: -591.270888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -591.270888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -591.270888 (E_RNA)
where:
Base-Base interactions energy: -263.670
where: short stacking energy: -184.209
Base-Backbone interact. energy: 3.593
local terms energy: -331.193798
where:
bonds (distance) C4'-P energy: -76.778
bonds (distance) P-C4' energy: -88.070
flat angles C4'-P-C4' energy: -86.955
flat angles P-C4'-P energy: -50.568
tors. eta vs tors. theta energy: -28.823
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 333
Temperature: 1.200000
Total energy: -457.955796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -457.955796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -457.955796 (E_RNA)
where:
Base-Base interactions energy: -168.098
where: short stacking energy: -120.751
Base-Backbone interact. energy: -0.560
local terms energy: -289.297849
where:
bonds (distance) C4'-P energy: -72.818
bonds (distance) P-C4' energy: -88.235
flat angles C4'-P-C4' energy: -75.402
flat angles P-C4'-P energy: -55.951
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: 10
=====================================
Write number: 333
Temperature: 1.250000
Total energy: -401.764339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -401.764339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -401.764339 (E_RNA)
where:
Base-Base interactions energy: -143.382
where: short stacking energy: -115.686
Base-Backbone interact. energy: 4.185
local terms energy: -262.567053
where:
bonds (distance) C4'-P energy: -91.122
bonds (distance) P-C4' energy: -96.340
flat angles C4'-P-C4' energy: -49.011
flat angles P-C4'-P energy: -35.006
tors. eta vs tors. theta energy: 8.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 333
Temperature: 1.300000
Total energy: -377.071619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -377.071619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -377.071619 (E_RNA)
where:
Base-Base interactions energy: -124.824
where: short stacking energy: -108.208
Base-Backbone interact. energy: -0.789
local terms energy: -251.458376
where:
bonds (distance) C4'-P energy: -71.815
bonds (distance) P-C4' energy: -76.164
flat angles C4'-P-C4' energy: -78.548
flat angles P-C4'-P energy: -44.130
tors. eta vs tors. theta energy: 19.198
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: 2
=====================================
Write number: 333
Temperature: 1.350000
Total energy: -368.276749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.276749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.276749 (E_RNA)
where:
Base-Base interactions energy: -124.214
where: short stacking energy: -92.743
Base-Backbone interact. energy: -0.155
local terms energy: -243.907556
where:
bonds (distance) C4'-P energy: -78.373
bonds (distance) P-C4' energy: -75.939
flat angles C4'-P-C4' energy: -59.985
flat angles P-C4'-P energy: -38.820
tors. eta vs tors. theta energy: 9.209
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 334
Temperature: 0.900000
Total energy: -1261.991978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1261.991978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1261.991978 (E_RNA)
where:
Base-Base interactions energy: -766.658
where: short stacking energy: -424.070
Base-Backbone interact. energy: -0.453
local terms energy: -494.880935
where:
bonds (distance) C4'-P energy: -96.648
bonds (distance) P-C4' energy: -104.133
flat angles C4'-P-C4' energy: -99.875
flat angles P-C4'-P energy: -67.165
tors. eta vs tors. theta energy: -127.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 334
Temperature: 0.950000
Total energy: -1165.577618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1165.577618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1165.577618 (E_RNA)
where:
Base-Base interactions energy: -694.385
where: short stacking energy: -410.338
Base-Backbone interact. energy: -0.664
local terms energy: -470.529107
where:
bonds (distance) C4'-P energy: -85.628
bonds (distance) P-C4' energy: -84.998
flat angles C4'-P-C4' energy: -103.559
flat angles P-C4'-P energy: -64.825
tors. eta vs tors. theta energy: -131.518
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: 6
=====================================
Write number: 334
Temperature: 1.000000
Total energy: -931.271409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -931.271409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -931.271409 (E_RNA)
where:
Base-Base interactions energy: -510.426
where: short stacking energy: -336.673
Base-Backbone interact. energy: -0.595
local terms energy: -420.250567
where:
bonds (distance) C4'-P energy: -90.308
bonds (distance) P-C4' energy: -84.755
flat angles C4'-P-C4' energy: -95.752
flat angles P-C4'-P energy: -65.331
tors. eta vs tors. theta energy: -84.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 334
Temperature: 1.050000
Total energy: -791.441585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -791.441585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -791.441585 (E_RNA)
where:
Base-Base interactions energy: -422.042
where: short stacking energy: -269.352
Base-Backbone interact. energy: -0.113
local terms energy: -369.286841
where:
bonds (distance) C4'-P energy: -81.688
bonds (distance) P-C4' energy: -81.093
flat angles C4'-P-C4' energy: -80.462
flat angles P-C4'-P energy: -54.554
tors. eta vs tors. theta energy: -71.490
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: 3
=====================================
Write number: 334
Temperature: 1.100000
Total energy: -653.880049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -653.880049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -653.880049 (E_RNA)
where:
Base-Base interactions energy: -325.606
where: short stacking energy: -239.076
Base-Backbone interact. energy: 1.603
local terms energy: -329.877333
where:
bonds (distance) C4'-P energy: -80.626
bonds (distance) P-C4' energy: -79.904
flat angles C4'-P-C4' energy: -69.142
flat angles P-C4'-P energy: -50.955
tors. eta vs tors. theta energy: -49.251
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 334
Temperature: 1.150000
Total energy: -597.091996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -597.091996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -597.091996 (E_RNA)
where:
Base-Base interactions energy: -257.325
where: short stacking energy: -201.984
Base-Backbone interact. energy: -0.743
local terms energy: -339.024260
where:
bonds (distance) C4'-P energy: -86.429
bonds (distance) P-C4' energy: -86.555
flat angles C4'-P-C4' energy: -77.988
flat angles P-C4'-P energy: -46.214
tors. eta vs tors. theta energy: -41.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 334
Temperature: 1.200000
Total energy: -463.278412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -463.278412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -463.278412 (E_RNA)
where:
Base-Base interactions energy: -169.521
where: short stacking energy: -150.623
Base-Backbone interact. energy: -1.042
local terms energy: -292.715600
where:
bonds (distance) C4'-P energy: -65.452
bonds (distance) P-C4' energy: -89.077
flat angles C4'-P-C4' energy: -80.588
flat angles P-C4'-P energy: -40.277
tors. eta vs tors. theta energy: -17.322
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 334
Temperature: 1.250000
Total energy: -445.591576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -445.591576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -445.591576 (E_RNA)
where:
Base-Base interactions energy: -175.732
where: short stacking energy: -141.705
Base-Backbone interact. energy: -1.464
local terms energy: -268.396205
where:
bonds (distance) C4'-P energy: -82.515
bonds (distance) P-C4' energy: -84.245
flat angles C4'-P-C4' energy: -68.356
flat angles P-C4'-P energy: -24.487
tors. eta vs tors. theta energy: -8.794
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 334
Temperature: 1.300000
Total energy: -407.598341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.598341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -407.598341 (E_RNA)
where:
Base-Base interactions energy: -154.626
where: short stacking energy: -143.736
Base-Backbone interact. energy: 0.009
local terms energy: -252.981719
where:
bonds (distance) C4'-P energy: -72.168
bonds (distance) P-C4' energy: -65.493
flat angles C4'-P-C4' energy: -69.349
flat angles P-C4'-P energy: -44.861
tors. eta vs tors. theta energy: -1.110
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: 334
Temperature: 1.350000
Total energy: -366.546399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.546399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.546399 (E_RNA)
where:
Base-Base interactions energy: -121.551
where: short stacking energy: -99.797
Base-Backbone interact. energy: -0.977
local terms energy: -244.018382
where:
bonds (distance) C4'-P energy: -66.448
bonds (distance) P-C4' energy: -84.560
flat angles C4'-P-C4' energy: -71.452
flat angles P-C4'-P energy: -31.641
tors. eta vs tors. theta energy: 10.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 335
Temperature: 0.900000
Total energy: -1312.184613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1312.184613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1312.184613 (E_RNA)
where:
Base-Base interactions energy: -818.466
where: short stacking energy: -461.000
Base-Backbone interact. energy: -2.439
local terms energy: -491.278967
where:
bonds (distance) C4'-P energy: -84.445
bonds (distance) P-C4' energy: -92.359
flat angles C4'-P-C4' energy: -105.544
flat angles P-C4'-P energy: -62.159
tors. eta vs tors. theta energy: -146.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 335
Temperature: 0.950000
Total energy: -1189.146296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1189.146296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1189.146296 (E_RNA)
where:
Base-Base interactions energy: -717.060
where: short stacking energy: -429.151
Base-Backbone interact. energy: 0.266
local terms energy: -472.352502
where:
bonds (distance) C4'-P energy: -87.958
bonds (distance) P-C4' energy: -96.003
flat angles C4'-P-C4' energy: -100.222
flat angles P-C4'-P energy: -58.739
tors. eta vs tors. theta energy: -129.431
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 335
Temperature: 1.000000
Total energy: -889.202297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -889.202297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -889.202297 (E_RNA)
where:
Base-Base interactions energy: -507.118
where: short stacking energy: -332.244
Base-Backbone interact. energy: 1.222
local terms energy: -383.306594
where:
bonds (distance) C4'-P energy: -82.742
bonds (distance) P-C4' energy: -76.337
flat angles C4'-P-C4' energy: -81.209
flat angles P-C4'-P energy: -62.756
tors. eta vs tors. theta energy: -80.262
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 335
Temperature: 1.050000
Total energy: -788.170368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -788.170368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -788.170368 (E_RNA)
where:
Base-Base interactions energy: -427.434
where: short stacking energy: -287.241
Base-Backbone interact. energy: -0.713
local terms energy: -360.024142
where:
bonds (distance) C4'-P energy: -86.995
bonds (distance) P-C4' energy: -77.921
flat angles C4'-P-C4' energy: -82.918
flat angles P-C4'-P energy: -62.662
tors. eta vs tors. theta energy: -49.527
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 335
Temperature: 1.100000
Total energy: -705.756675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -705.756675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -705.756675 (E_RNA)
where:
Base-Base interactions energy: -352.534
where: short stacking energy: -236.906
Base-Backbone interact. energy: -1.395
local terms energy: -351.827449
where:
bonds (distance) C4'-P energy: -83.538
bonds (distance) P-C4' energy: -89.921
flat angles C4'-P-C4' energy: -71.870
flat angles P-C4'-P energy: -58.180
tors. eta vs tors. theta energy: -48.319
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 335
Temperature: 1.150000
Total energy: -535.942247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.942247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.942247 (E_RNA)
where:
Base-Base interactions energy: -232.925
where: short stacking energy: -159.184
Base-Backbone interact. energy: -2.585
local terms energy: -300.432185
where:
bonds (distance) C4'-P energy: -75.752
bonds (distance) P-C4' energy: -88.561
flat angles C4'-P-C4' energy: -81.446
flat angles P-C4'-P energy: -48.773
tors. eta vs tors. theta energy: -5.900
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 335
Temperature: 1.200000
Total energy: -457.436619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -457.436619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -457.436619 (E_RNA)
where:
Base-Base interactions energy: -166.965
where: short stacking energy: -148.679
Base-Backbone interact. energy: -1.427
local terms energy: -289.044604
where:
bonds (distance) C4'-P energy: -76.899
bonds (distance) P-C4' energy: -86.382
flat angles C4'-P-C4' energy: -73.061
flat angles P-C4'-P energy: -42.139
tors. eta vs tors. theta energy: -10.563
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 335
Temperature: 1.250000
Total energy: -378.581299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -378.581299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -378.581299 (E_RNA)
where:
Base-Base interactions energy: -135.724
where: short stacking energy: -118.739
Base-Backbone interact. energy: 7.847
local terms energy: -250.704578
where:
bonds (distance) C4'-P energy: -64.887
bonds (distance) P-C4' energy: -75.212
flat angles C4'-P-C4' energy: -78.916
flat angles P-C4'-P energy: -37.303
tors. eta vs tors. theta energy: 5.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 335
Temperature: 1.300000
Total energy: -392.499417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.499417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -392.499417 (E_RNA)
where:
Base-Base interactions energy: -135.592
where: short stacking energy: -123.680
Base-Backbone interact. energy: -0.663
local terms energy: -256.244733
where:
bonds (distance) C4'-P energy: -73.411
bonds (distance) P-C4' energy: -69.395
flat angles C4'-P-C4' energy: -71.289
flat angles P-C4'-P energy: -34.237
tors. eta vs tors. theta energy: -7.913
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: 9
=====================================
Write number: 335
Temperature: 1.350000
Total energy: -351.169902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.169902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.169902 (E_RNA)
where:
Base-Base interactions energy: -108.311
where: short stacking energy: -99.475
Base-Backbone interact. energy: 1.946
local terms energy: -244.805013
where:
bonds (distance) C4'-P energy: -71.650
bonds (distance) P-C4' energy: -74.674
flat angles C4'-P-C4' energy: -71.756
flat angles P-C4'-P energy: -39.283
tors. eta vs tors. theta energy: 12.558
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: 1
=====================================
Write number: 336
Temperature: 0.900000
Total energy: -1304.981055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1304.981055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1304.981055 (E_RNA)
where:
Base-Base interactions energy: -831.999
where: short stacking energy: -460.717
Base-Backbone interact. energy: 2.073
local terms energy: -475.055136
where:
bonds (distance) C4'-P energy: -81.009
bonds (distance) P-C4' energy: -90.979
flat angles C4'-P-C4' energy: -97.473
flat angles P-C4'-P energy: -69.027
tors. eta vs tors. theta energy: -136.567
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 336
Temperature: 0.950000
Total energy: -1120.424379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1120.424379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1120.424379 (E_RNA)
where:
Base-Base interactions energy: -659.211
where: short stacking energy: -395.453
Base-Backbone interact. energy: -1.183
local terms energy: -460.030757
where:
bonds (distance) C4'-P energy: -98.296
bonds (distance) P-C4' energy: -87.729
flat angles C4'-P-C4' energy: -95.719
flat angles P-C4'-P energy: -62.125
tors. eta vs tors. theta energy: -116.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 336
Temperature: 1.000000
Total energy: -962.104050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -962.104050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -962.104050 (E_RNA)
where:
Base-Base interactions energy: -535.566
where: short stacking energy: -331.624
Base-Backbone interact. energy: -0.296
local terms energy: -426.241962
where:
bonds (distance) C4'-P energy: -83.541
bonds (distance) P-C4' energy: -93.754
flat angles C4'-P-C4' energy: -97.191
flat angles P-C4'-P energy: -57.617
tors. eta vs tors. theta energy: -94.139
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: 7
=====================================
Write number: 336
Temperature: 1.050000
Total energy: -791.927401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -791.927401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -791.927401 (E_RNA)
where:
Base-Base interactions energy: -409.642
where: short stacking energy: -302.000
Base-Backbone interact. energy: -1.297
local terms energy: -380.987651
where:
bonds (distance) C4'-P energy: -87.762
bonds (distance) P-C4' energy: -81.513
flat angles C4'-P-C4' energy: -86.747
flat angles P-C4'-P energy: -60.996
tors. eta vs tors. theta energy: -63.969
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 336
Temperature: 1.100000
Total energy: -657.351659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -657.351659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -657.351659 (E_RNA)
where:
Base-Base interactions energy: -324.481
where: short stacking energy: -221.896
Base-Backbone interact. energy: 0.145
local terms energy: -333.016215
where:
bonds (distance) C4'-P energy: -75.928
bonds (distance) P-C4' energy: -87.401
flat angles C4'-P-C4' energy: -82.126
flat angles P-C4'-P energy: -45.241
tors. eta vs tors. theta energy: -42.320
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: 6, replica: 8
=====================================
Write number: 336
Temperature: 1.150000
Total energy: -546.861520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.861520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.861520 (E_RNA)
where:
Base-Base interactions energy: -247.034
where: short stacking energy: -176.251
Base-Backbone interact. energy: 3.847
local terms energy: -303.674166
where:
bonds (distance) C4'-P energy: -73.728
bonds (distance) P-C4' energy: -87.303
flat angles C4'-P-C4' energy: -78.207
flat angles P-C4'-P energy: -46.990
tors. eta vs tors. theta energy: -17.446
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 336
Temperature: 1.200000
Total energy: -448.493136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -448.493136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -448.493136 (E_RNA)
where:
Base-Base interactions energy: -157.144
where: short stacking energy: -149.194
Base-Backbone interact. energy: -0.429
local terms energy: -290.919920
where:
bonds (distance) C4'-P energy: -79.675
bonds (distance) P-C4' energy: -76.018
flat angles C4'-P-C4' energy: -78.352
flat angles P-C4'-P energy: -50.984
tors. eta vs tors. theta energy: -5.891
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 336
Temperature: 1.250000
Total energy: -397.603106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -397.603106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -397.603106 (E_RNA)
where:
Base-Base interactions energy: -128.944
where: short stacking energy: -125.753
Base-Backbone interact. energy: -2.227
local terms energy: -266.432432
where:
bonds (distance) C4'-P energy: -81.951
bonds (distance) P-C4' energy: -89.544
flat angles C4'-P-C4' energy: -68.842
flat angles P-C4'-P energy: -29.900
tors. eta vs tors. theta energy: 3.803
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: 5
=====================================
Write number: 336
Temperature: 1.300000
Total energy: -386.719424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -386.719424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -386.719424 (E_RNA)
where:
Base-Base interactions energy: -115.099
where: short stacking energy: -102.008
Base-Backbone interact. energy: 2.964
local terms energy: -274.585260
where:
bonds (distance) C4'-P energy: -72.281
bonds (distance) P-C4' energy: -88.901
flat angles C4'-P-C4' energy: -65.694
flat angles P-C4'-P energy: -46.379
tors. eta vs tors. theta energy: -1.329
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: 10, replica: 9
=====================================
Write number: 336
Temperature: 1.350000
Total energy: -368.800069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.800069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.800069 (E_RNA)
where:
Base-Base interactions energy: -120.307
where: short stacking energy: -108.750
Base-Backbone interact. energy: 8.210
local terms energy: -256.702360
where:
bonds (distance) C4'-P energy: -82.435
bonds (distance) P-C4' energy: -73.436
flat angles C4'-P-C4' energy: -71.575
flat angles P-C4'-P energy: -49.711
tors. eta vs tors. theta energy: 20.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 337
Temperature: 0.900000
Total energy: -1293.473265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1293.473265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1293.473265 (E_RNA)
where:
Base-Base interactions energy: -793.703
where: short stacking energy: -454.675
Base-Backbone interact. energy: 0.390
local terms energy: -500.160433
where:
bonds (distance) C4'-P energy: -93.675
bonds (distance) P-C4' energy: -95.366
flat angles C4'-P-C4' energy: -106.475
flat angles P-C4'-P energy: -61.491
tors. eta vs tors. theta energy: -143.152
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: 4
=====================================
Write number: 337
Temperature: 0.950000
Total energy: -1111.704075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1111.704075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1111.704075 (E_RNA)
where:
Base-Base interactions energy: -650.063
where: short stacking energy: -377.884
Base-Backbone interact. energy: -0.422
local terms energy: -461.218844
where:
bonds (distance) C4'-P energy: -91.015
bonds (distance) P-C4' energy: -98.026
flat angles C4'-P-C4' energy: -103.290
flat angles P-C4'-P energy: -61.046
tors. eta vs tors. theta energy: -107.843
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 337
Temperature: 1.000000
Total energy: -889.303227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -889.303227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -889.303227 (E_RNA)
where:
Base-Base interactions energy: -469.589
where: short stacking energy: -296.429
Base-Backbone interact. energy: 1.835
local terms energy: -421.549579
where:
bonds (distance) C4'-P energy: -83.966
bonds (distance) P-C4' energy: -95.432
flat angles C4'-P-C4' energy: -92.891
flat angles P-C4'-P energy: -66.846
tors. eta vs tors. theta energy: -82.414
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: 7
=====================================
Write number: 337
Temperature: 1.050000
Total energy: -822.671375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -822.671375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -822.671375 (E_RNA)
where:
Base-Base interactions energy: -431.230
where: short stacking energy: -293.095
Base-Backbone interact. energy: -0.290
local terms energy: -391.151516
where:
bonds (distance) C4'-P energy: -88.474
bonds (distance) P-C4' energy: -85.782
flat angles C4'-P-C4' energy: -87.841
flat angles P-C4'-P energy: -53.104
tors. eta vs tors. theta energy: -75.949
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: 5, replica: 3
=====================================
Write number: 337
Temperature: 1.100000
Total energy: -686.528235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -686.528235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -686.528235 (E_RNA)
where:
Base-Base interactions energy: -311.168
where: short stacking energy: -229.866
Base-Backbone interact. energy: -1.966
local terms energy: -373.394536
where:
bonds (distance) C4'-P energy: -92.993
bonds (distance) P-C4' energy: -94.537
flat angles C4'-P-C4' energy: -90.658
flat angles P-C4'-P energy: -58.316
tors. eta vs tors. theta energy: -36.890
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 337
Temperature: 1.150000
Total energy: -474.435134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -474.435134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -474.435134 (E_RNA)
where:
Base-Base interactions energy: -161.429
where: short stacking energy: -137.696
Base-Backbone interact. energy: 2.348
local terms energy: -315.354221
where:
bonds (distance) C4'-P energy: -85.254
bonds (distance) P-C4' energy: -91.841
flat angles C4'-P-C4' energy: -77.807
flat angles P-C4'-P energy: -48.266
tors. eta vs tors. theta energy: -12.186
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: 337
Temperature: 1.200000
Total energy: -508.478617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -508.478617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.478617 (E_RNA)
where:
Base-Base interactions energy: -201.466
where: short stacking energy: -143.042
Base-Backbone interact. energy: -0.549
local terms energy: -306.463508
where:
bonds (distance) C4'-P energy: -75.948
bonds (distance) P-C4' energy: -90.789
flat angles C4'-P-C4' energy: -83.640
flat angles P-C4'-P energy: -44.860
tors. eta vs tors. theta energy: -11.225
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 337
Temperature: 1.250000
Total energy: -416.153011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.153011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.153011 (E_RNA)
where:
Base-Base interactions energy: -144.298
where: short stacking energy: -109.311
Base-Backbone interact. energy: 1.282
local terms energy: -273.136359
where:
bonds (distance) C4'-P energy: -85.776
bonds (distance) P-C4' energy: -88.542
flat angles C4'-P-C4' energy: -62.643
flat angles P-C4'-P energy: -38.437
tors. eta vs tors. theta energy: 2.263
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 337
Temperature: 1.300000
Total energy: -393.597993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.597993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -393.597993 (E_RNA)
where:
Base-Base interactions energy: -123.873
where: short stacking energy: -103.910
Base-Backbone interact. energy: -2.048
local terms energy: -267.676488
where:
bonds (distance) C4'-P energy: -72.409
bonds (distance) P-C4' energy: -93.148
flat angles C4'-P-C4' energy: -68.003
flat angles P-C4'-P energy: -42.590
tors. eta vs tors. theta energy: 8.473
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 337
Temperature: 1.350000
Total energy: -348.231382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.231382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.231382 (E_RNA)
where:
Base-Base interactions energy: -98.528
where: short stacking energy: -91.287
Base-Backbone interact. energy: 5.976
local terms energy: -255.679048
where:
bonds (distance) C4'-P energy: -74.593
bonds (distance) P-C4' energy: -80.359
flat angles C4'-P-C4' energy: -75.883
flat angles P-C4'-P energy: -40.119
tors. eta vs tors. theta energy: 15.275
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 338
Temperature: 0.900000
Total energy: -1306.753310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1306.753310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1306.753310 (E_RNA)
where:
Base-Base interactions energy: -810.439
where: short stacking energy: -444.637
Base-Backbone interact. energy: -1.921
local terms energy: -494.392607
where:
bonds (distance) C4'-P energy: -97.080
bonds (distance) P-C4' energy: -86.480
flat angles C4'-P-C4' energy: -105.755
flat angles P-C4'-P energy: -70.835
tors. eta vs tors. theta energy: -134.243
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 338
Temperature: 0.950000
Total energy: -1110.512991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1110.512991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1110.512991 (E_RNA)
where:
Base-Base interactions energy: -651.326
where: short stacking energy: -375.554
Base-Backbone interact. energy: -0.373
local terms energy: -458.813824
where:
bonds (distance) C4'-P energy: -91.150
bonds (distance) P-C4' energy: -91.085
flat angles C4'-P-C4' energy: -93.373
flat angles P-C4'-P energy: -64.772
tors. eta vs tors. theta energy: -118.434
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: 7
=====================================
Write number: 338
Temperature: 1.000000
Total energy: -879.294684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -879.294684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -879.294684 (E_RNA)
where:
Base-Base interactions energy: -469.174
where: short stacking energy: -287.730
Base-Backbone interact. energy: -2.141
local terms energy: -407.980457
where:
bonds (distance) C4'-P energy: -77.304
bonds (distance) P-C4' energy: -95.525
flat angles C4'-P-C4' energy: -90.860
flat angles P-C4'-P energy: -67.450
tors. eta vs tors. theta energy: -76.842
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: 6
=====================================
Write number: 338
Temperature: 1.050000
Total energy: -826.107855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -826.107855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -826.107855 (E_RNA)
where:
Base-Base interactions energy: -431.560
where: short stacking energy: -257.334
Base-Backbone interact. energy: 0.092
local terms energy: -394.640109
where:
bonds (distance) C4'-P energy: -81.046
bonds (distance) P-C4' energy: -93.267
flat angles C4'-P-C4' energy: -100.136
flat angles P-C4'-P energy: -52.877
tors. eta vs tors. theta energy: -67.314
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 338
Temperature: 1.100000
Total energy: -702.147449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -702.147449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -702.147449 (E_RNA)
where:
Base-Base interactions energy: -343.367
where: short stacking energy: -245.895
Base-Backbone interact. energy: 0.067
local terms energy: -358.847787
where:
bonds (distance) C4'-P energy: -80.882
bonds (distance) P-C4' energy: -76.577
flat angles C4'-P-C4' energy: -90.863
flat angles P-C4'-P energy: -62.271
tors. eta vs tors. theta energy: -48.255
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: 2
=====================================
Write number: 338
Temperature: 1.150000
Total energy: -503.150228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -503.150228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.150228 (E_RNA)
where:
Base-Base interactions energy: -200.895
where: short stacking energy: -169.568
Base-Backbone interact. energy: -1.099
local terms energy: -301.156633
where:
bonds (distance) C4'-P energy: -78.921
bonds (distance) P-C4' energy: -82.402
flat angles C4'-P-C4' energy: -71.772
flat angles P-C4'-P energy: -46.785
tors. eta vs tors. theta energy: -21.277
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: 7, replica: 8
=====================================
Write number: 338
Temperature: 1.200000
Total energy: -487.079261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.079261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.079261 (E_RNA)
where:
Base-Base interactions energy: -200.973
where: short stacking energy: -119.805
Base-Backbone interact. energy: 0.120
local terms energy: -286.226536
where:
bonds (distance) C4'-P energy: -80.248
bonds (distance) P-C4' energy: -89.434
flat angles C4'-P-C4' energy: -61.237
flat angles P-C4'-P energy: -56.309
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: 8, replica: 5
=====================================
Write number: 338
Temperature: 1.250000
Total energy: -403.284010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.284010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -403.284010 (E_RNA)
where:
Base-Base interactions energy: -119.420
where: short stacking energy: -114.575
Base-Backbone interact. energy: 2.406
local terms energy: -286.269539
where:
bonds (distance) C4'-P energy: -92.020
bonds (distance) P-C4' energy: -88.225
flat angles C4'-P-C4' energy: -63.430
flat angles P-C4'-P energy: -41.850
tors. eta vs tors. theta energy: -0.744
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 338
Temperature: 1.300000
Total energy: -369.341682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.341682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.341682 (E_RNA)
where:
Base-Base interactions energy: -129.163
where: short stacking energy: -117.191
Base-Backbone interact. energy: 0.060
local terms energy: -240.238822
where:
bonds (distance) C4'-P energy: -81.395
bonds (distance) P-C4' energy: -66.667
flat angles C4'-P-C4' energy: -70.875
flat angles P-C4'-P energy: -26.919
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: 10, replica: 10
=====================================
Write number: 338
Temperature: 1.350000
Total energy: -412.546017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.546017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.546017 (E_RNA)
where:
Base-Base interactions energy: -144.464
where: short stacking energy: -113.003
Base-Backbone interact. energy: -0.785
local terms energy: -267.296857
where:
bonds (distance) C4'-P energy: -72.607
bonds (distance) P-C4' energy: -78.283
flat angles C4'-P-C4' energy: -72.006
flat angles P-C4'-P energy: -44.713
tors. eta vs tors. theta energy: 0.312
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 339
Temperature: 0.900000
Total energy: -1298.874990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1298.874990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1298.874990 (E_RNA)
where:
Base-Base interactions energy: -810.197
where: short stacking energy: -458.201
Base-Backbone interact. energy: -1.450
local terms energy: -487.228387
where:
bonds (distance) C4'-P energy: -95.499
bonds (distance) P-C4' energy: -98.264
flat angles C4'-P-C4' energy: -93.020
flat angles P-C4'-P energy: -69.866
tors. eta vs tors. theta energy: -130.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 339
Temperature: 0.950000
Total energy: -1148.252212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1148.252212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1148.252212 (E_RNA)
where:
Base-Base interactions energy: -679.984
where: short stacking energy: -423.960
Base-Backbone interact. energy: -0.065
local terms energy: -468.203373
where:
bonds (distance) C4'-P energy: -87.357
bonds (distance) P-C4' energy: -93.037
flat angles C4'-P-C4' energy: -99.659
flat angles P-C4'-P energy: -64.875
tors. eta vs tors. theta energy: -123.276
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 339
Temperature: 1.000000
Total energy: -921.154782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -921.154782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -921.154782 (E_RNA)
where:
Base-Base interactions energy: -515.988
where: short stacking energy: -303.750
Base-Backbone interact. energy: -0.315
local terms energy: -404.851543
where:
bonds (distance) C4'-P energy: -93.017
bonds (distance) P-C4' energy: -86.478
flat angles C4'-P-C4' energy: -89.269
flat angles P-C4'-P energy: -66.036
tors. eta vs tors. theta energy: -70.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 339
Temperature: 1.050000
Total energy: -826.255301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -826.255301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -826.255301 (E_RNA)
where:
Base-Base interactions energy: -438.664
where: short stacking energy: -254.035
Base-Backbone interact. energy: -1.833
local terms energy: -385.757483
where:
bonds (distance) C4'-P energy: -90.691
bonds (distance) P-C4' energy: -90.701
flat angles C4'-P-C4' energy: -91.752
flat angles P-C4'-P energy: -53.583
tors. eta vs tors. theta energy: -59.030
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: 3
=====================================
Write number: 339
Temperature: 1.100000
Total energy: -686.481856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -686.481856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -686.481856 (E_RNA)
where:
Base-Base interactions energy: -341.586
where: short stacking energy: -231.126
Base-Backbone interact. energy: -0.703
local terms energy: -344.193666
where:
bonds (distance) C4'-P energy: -77.837
bonds (distance) P-C4' energy: -99.142
flat angles C4'-P-C4' energy: -78.211
flat angles P-C4'-P energy: -45.808
tors. eta vs tors. theta energy: -43.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 339
Temperature: 1.150000
Total energy: -534.523793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.523793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.523793 (E_RNA)
where:
Base-Base interactions energy: -221.751
where: short stacking energy: -186.404
Base-Backbone interact. energy: 0.786
local terms energy: -313.558977
where:
bonds (distance) C4'-P energy: -94.954
bonds (distance) P-C4' energy: -82.081
flat angles C4'-P-C4' energy: -67.047
flat angles P-C4'-P energy: -58.123
tors. eta vs tors. theta energy: -11.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 339
Temperature: 1.200000
Total energy: -464.632634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -464.632634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -464.632634 (E_RNA)
where:
Base-Base interactions energy: -187.605
where: short stacking energy: -142.010
Base-Backbone interact. energy: 4.183
local terms energy: -281.210852
where:
bonds (distance) C4'-P energy: -69.826
bonds (distance) P-C4' energy: -84.527
flat angles C4'-P-C4' energy: -73.871
flat angles P-C4'-P energy: -49.248
tors. eta vs tors. theta energy: -3.738
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 339
Temperature: 1.250000
Total energy: -396.308514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -396.308514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -396.308514 (E_RNA)
where:
Base-Base interactions energy: -137.408
where: short stacking energy: -108.863
Base-Backbone interact. energy: -1.654
local terms energy: -257.246416
where:
bonds (distance) C4'-P energy: -65.960
bonds (distance) P-C4' energy: -68.457
flat angles C4'-P-C4' energy: -89.371
flat angles P-C4'-P energy: -43.490
tors. eta vs tors. theta energy: 10.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 339
Temperature: 1.300000
Total energy: -379.743143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -379.743143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -379.743143 (E_RNA)
where:
Base-Base interactions energy: -118.479
where: short stacking energy: -103.262
Base-Backbone interact. energy: -3.733
local terms energy: -257.531880
where:
bonds (distance) C4'-P energy: -74.174
bonds (distance) P-C4' energy: -80.590
flat angles C4'-P-C4' energy: -52.361
flat angles P-C4'-P energy: -51.750
tors. eta vs tors. theta energy: 1.343
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 339
Temperature: 1.350000
Total energy: -339.903869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.903869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.903869 (E_RNA)
where:
Base-Base interactions energy: -117.010
where: short stacking energy: -87.838
Base-Backbone interact. energy: -0.505
local terms energy: -222.389675
where:
bonds (distance) C4'-P energy: -86.323
bonds (distance) P-C4' energy: -75.898
flat angles C4'-P-C4' energy: -55.863
flat angles P-C4'-P energy: -25.054
tors. eta vs tors. theta energy: 20.749
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 340
Temperature: 0.900000
Total energy: -1320.877158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1320.877158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1320.877158 (E_RNA)
where:
Base-Base interactions energy: -816.928
where: short stacking energy: -464.512
Base-Backbone interact. energy: -0.251
local terms energy: -503.698163
where:
bonds (distance) C4'-P energy: -82.648
bonds (distance) P-C4' energy: -96.177
flat angles C4'-P-C4' energy: -107.580
flat angles P-C4'-P energy: -73.769
tors. eta vs tors. theta energy: -143.524
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 340
Temperature: 0.950000
Total energy: -1158.706887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1158.706887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1158.706887 (E_RNA)
where:
Base-Base interactions energy: -682.570
where: short stacking energy: -390.061
Base-Backbone interact. energy: 0.081
local terms energy: -476.217509
where:
bonds (distance) C4'-P energy: -94.271
bonds (distance) P-C4' energy: -108.416
flat angles C4'-P-C4' energy: -95.967
flat angles P-C4'-P energy: -65.468
tors. eta vs tors. theta energy: -112.095
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: 7
=====================================
Write number: 340
Temperature: 1.000000
Total energy: -918.416239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -918.416239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -918.416239 (E_RNA)
where:
Base-Base interactions energy: -524.766
where: short stacking energy: -317.678
Base-Backbone interact. energy: 3.051
local terms energy: -396.701022
where:
bonds (distance) C4'-P energy: -78.554
bonds (distance) P-C4' energy: -87.951
flat angles C4'-P-C4' energy: -96.060
flat angles P-C4'-P energy: -57.616
tors. eta vs tors. theta energy: -76.520
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: 6
=====================================
Write number: 340
Temperature: 1.050000
Total energy: -840.206694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -840.206694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -840.206694 (E_RNA)
where:
Base-Base interactions energy: -458.969
where: short stacking energy: -272.178
Base-Backbone interact. energy: -3.526
local terms energy: -377.711921
where:
bonds (distance) C4'-P energy: -75.522
bonds (distance) P-C4' energy: -75.263
flat angles C4'-P-C4' energy: -86.398
flat angles P-C4'-P energy: -66.964
tors. eta vs tors. theta energy: -73.565
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 340
Temperature: 1.100000
Total energy: -664.111933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -664.111933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -664.111933 (E_RNA)
where:
Base-Base interactions energy: -317.163
where: short stacking energy: -233.278
Base-Backbone interact. energy: 0.912
local terms energy: -347.860830
where:
bonds (distance) C4'-P energy: -81.260
bonds (distance) P-C4' energy: -86.215
flat angles C4'-P-C4' energy: -77.432
flat angles P-C4'-P energy: -50.022
tors. eta vs tors. theta energy: -52.932
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 340
Temperature: 1.150000
Total energy: -500.213739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.213739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.213739 (E_RNA)
where:
Base-Base interactions energy: -192.637
where: short stacking energy: -150.616
Base-Backbone interact. energy: -0.574
local terms energy: -307.003489
where:
bonds (distance) C4'-P energy: -83.922
bonds (distance) P-C4' energy: -91.525
flat angles C4'-P-C4' energy: -79.915
flat angles P-C4'-P energy: -37.467
tors. eta vs tors. theta energy: -14.175
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 340
Temperature: 1.200000
Total energy: -464.587062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -464.587062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -464.587062 (E_RNA)
where:
Base-Base interactions energy: -198.578
where: short stacking energy: -154.352
Base-Backbone interact. energy: -1.631
local terms energy: -264.378678
where:
bonds (distance) C4'-P energy: -71.351
bonds (distance) P-C4' energy: -70.327
flat angles C4'-P-C4' energy: -83.938
flat angles P-C4'-P energy: -30.847
tors. eta vs tors. theta energy: -7.915
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 340
Temperature: 1.250000
Total energy: -396.857281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -396.857281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -396.857281 (E_RNA)
where:
Base-Base interactions energy: -138.522
where: short stacking energy: -114.073
Base-Backbone interact. energy: -1.408
local terms energy: -256.927464
where:
bonds (distance) C4'-P energy: -69.514
bonds (distance) P-C4' energy: -75.035
flat angles C4'-P-C4' energy: -74.302
flat angles P-C4'-P energy: -43.476
tors. eta vs tors. theta energy: 5.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 340
Temperature: 1.300000
Total energy: -369.970031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.970031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.970031 (E_RNA)
where:
Base-Base interactions energy: -136.305
where: short stacking energy: -119.040
Base-Backbone interact. energy: 1.132
local terms energy: -234.797421
where:
bonds (distance) C4'-P energy: -74.807
bonds (distance) P-C4' energy: -65.664
flat angles C4'-P-C4' energy: -64.010
flat angles P-C4'-P energy: -38.849
tors. eta vs tors. theta energy: 8.533
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: 10, replica: 5
=====================================
Write number: 340
Temperature: 1.350000
Total energy: -325.248150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.248150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.248150 (E_RNA)
where:
Base-Base interactions energy: -88.901
where: short stacking energy: -87.586
Base-Backbone interact. energy: -1.139
local terms energy: -235.208709
where:
bonds (distance) C4'-P energy: -79.229
bonds (distance) P-C4' energy: -73.673
flat angles C4'-P-C4' energy: -61.898
flat angles P-C4'-P energy: -43.511
tors. eta vs tors. theta energy: 23.103
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: 341
Temperature: 0.900000
Total energy: -1294.761722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1294.761722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1294.761722 (E_RNA)
where:
Base-Base interactions energy: -789.968
where: short stacking energy: -442.318
Base-Backbone interact. energy: -3.052
local terms energy: -501.741764
where:
bonds (distance) C4'-P energy: -92.263
bonds (distance) P-C4' energy: -97.776
flat angles C4'-P-C4' energy: -101.233
flat angles P-C4'-P energy: -71.861
tors. eta vs tors. theta energy: -138.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 341
Temperature: 0.950000
Total energy: -1122.134227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1122.134227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1122.134227 (E_RNA)
where:
Base-Base interactions energy: -656.645
where: short stacking energy: -380.174
Base-Backbone interact. energy: 0.402
local terms energy: -465.891365
where:
bonds (distance) C4'-P energy: -93.985
bonds (distance) P-C4' energy: -100.172
flat angles C4'-P-C4' energy: -98.384
flat angles P-C4'-P energy: -65.384
tors. eta vs tors. theta energy: -107.966
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: 7
=====================================
Write number: 341
Temperature: 1.000000
Total energy: -892.414311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -892.414311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -892.414311 (E_RNA)
where:
Base-Base interactions energy: -481.882
where: short stacking energy: -299.618
Base-Backbone interact. energy: -0.272
local terms energy: -410.259981
where:
bonds (distance) C4'-P energy: -93.346
bonds (distance) P-C4' energy: -98.325
flat angles C4'-P-C4' energy: -93.627
flat angles P-C4'-P energy: -61.960
tors. eta vs tors. theta energy: -63.001
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 341
Temperature: 1.050000
Total energy: -833.453325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -833.453325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -833.453325 (E_RNA)
where:
Base-Base interactions energy: -441.167
where: short stacking energy: -283.291
Base-Backbone interact. energy: -0.052
local terms energy: -392.234828
where:
bonds (distance) C4'-P energy: -92.657
bonds (distance) P-C4' energy: -83.113
flat angles C4'-P-C4' energy: -85.920
flat angles P-C4'-P energy: -66.940
tors. eta vs tors. theta energy: -63.606
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 341
Temperature: 1.100000
Total energy: -668.854172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -668.854172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -668.854172 (E_RNA)
where:
Base-Base interactions energy: -319.336
where: short stacking energy: -230.679
Base-Backbone interact. energy: -1.475
local terms energy: -348.042846
where:
bonds (distance) C4'-P energy: -93.555
bonds (distance) P-C4' energy: -80.947
flat angles C4'-P-C4' energy: -68.373
flat angles P-C4'-P energy: -55.750
tors. eta vs tors. theta energy: -49.418
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: 8
=====================================
Write number: 341
Temperature: 1.150000
Total energy: -500.604559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.604559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.604559 (E_RNA)
where:
Base-Base interactions energy: -172.002
where: short stacking energy: -150.900
Base-Backbone interact. energy: -0.267
local terms energy: -328.335476
where:
bonds (distance) C4'-P energy: -86.478
bonds (distance) P-C4' energy: -90.616
flat angles C4'-P-C4' energy: -87.149
flat angles P-C4'-P energy: -41.367
tors. eta vs tors. theta energy: -22.725
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 341
Temperature: 1.200000
Total energy: -450.027151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -450.027151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -450.027151 (E_RNA)
where:
Base-Base interactions energy: -146.500
where: short stacking energy: -113.498
Base-Backbone interact. energy: -1.459
local terms energy: -302.067962
where:
bonds (distance) C4'-P energy: -75.266
bonds (distance) P-C4' energy: -94.174
flat angles C4'-P-C4' energy: -73.742
flat angles P-C4'-P energy: -53.845
tors. eta vs tors. theta energy: -5.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 341
Temperature: 1.250000
Total energy: -405.695348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -405.695348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -405.695348 (E_RNA)
where:
Base-Base interactions energy: -134.794
where: short stacking energy: -118.489
Base-Backbone interact. energy: 1.919
local terms energy: -272.820225
where:
bonds (distance) C4'-P energy: -79.779
bonds (distance) P-C4' energy: -88.281
flat angles C4'-P-C4' energy: -75.123
flat angles P-C4'-P energy: -36.621
tors. eta vs tors. theta energy: 6.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 341
Temperature: 1.300000
Total energy: -386.701492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -386.701492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -386.701492 (E_RNA)
where:
Base-Base interactions energy: -141.163
where: short stacking energy: -130.201
Base-Backbone interact. energy: 0.600
local terms energy: -246.138594
where:
bonds (distance) C4'-P energy: -68.085
bonds (distance) P-C4' energy: -78.110
flat angles C4'-P-C4' energy: -71.824
flat angles P-C4'-P energy: -33.516
tors. eta vs tors. theta energy: 5.396
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 341
Temperature: 1.350000
Total energy: -347.619649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.619649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.619649 (E_RNA)
where:
Base-Base interactions energy: -123.728
where: short stacking energy: -103.111
Base-Backbone interact. energy: -2.466
local terms energy: -221.425524
where:
bonds (distance) C4'-P energy: -77.309
bonds (distance) P-C4' energy: -68.123
flat angles C4'-P-C4' energy: -53.985
flat angles P-C4'-P energy: -39.184
tors. eta vs tors. theta energy: 17.177
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: 1
=====================================
Write number: 342
Temperature: 0.900000
Total energy: -1287.035682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1287.035682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1287.035682 (E_RNA)
where:
Base-Base interactions energy: -781.790
where: short stacking energy: -445.411
Base-Backbone interact. energy: -2.222
local terms energy: -503.024534
where:
bonds (distance) C4'-P energy: -96.311
bonds (distance) P-C4' energy: -85.640
flat angles C4'-P-C4' energy: -108.120
flat angles P-C4'-P energy: -72.607
tors. eta vs tors. theta energy: -140.347
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 342
Temperature: 0.950000
Total energy: -1148.712744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1148.712744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1148.712744 (E_RNA)
where:
Base-Base interactions energy: -682.403
where: short stacking energy: -399.001
Base-Backbone interact. energy: 0.179
local terms energy: -466.488067
where:
bonds (distance) C4'-P energy: -86.601
bonds (distance) P-C4' energy: -95.414
flat angles C4'-P-C4' energy: -104.680
flat angles P-C4'-P energy: -64.365
tors. eta vs tors. theta energy: -115.427
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 342
Temperature: 1.000000
Total energy: -899.793678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -899.793678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -899.793678 (E_RNA)
where:
Base-Base interactions energy: -503.909
where: short stacking energy: -302.232
Base-Backbone interact. energy: -3.861
local terms energy: -392.023415
where:
bonds (distance) C4'-P energy: -83.894
bonds (distance) P-C4' energy: -94.572
flat angles C4'-P-C4' energy: -90.611
flat angles P-C4'-P energy: -57.319
tors. eta vs tors. theta energy: -65.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 342
Temperature: 1.050000
Total energy: -807.094302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -807.094302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -807.094302 (E_RNA)
where:
Base-Base interactions energy: -415.679
where: short stacking energy: -258.121
Base-Backbone interact. energy: 0.382
local terms energy: -391.797335
where:
bonds (distance) C4'-P energy: -89.210
bonds (distance) P-C4' energy: -88.124
flat angles C4'-P-C4' energy: -98.723
flat angles P-C4'-P energy: -55.603
tors. eta vs tors. theta energy: -60.138
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: 3
=====================================
Write number: 342
Temperature: 1.100000
Total energy: -682.020049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -682.020049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -682.020049 (E_RNA)
where:
Base-Base interactions energy: -334.554
where: short stacking energy: -235.498
Base-Backbone interact. energy: -0.850
local terms energy: -346.616547
where:
bonds (distance) C4'-P energy: -81.253
bonds (distance) P-C4' energy: -91.285
flat angles C4'-P-C4' energy: -78.466
flat angles P-C4'-P energy: -55.019
tors. eta vs tors. theta energy: -40.594
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 342
Temperature: 1.150000
Total energy: -483.517560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.517560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -483.517560 (E_RNA)
where:
Base-Base interactions energy: -176.708
where: short stacking energy: -162.744
Base-Backbone interact. energy: -1.135
local terms energy: -305.674869
where:
bonds (distance) C4'-P energy: -80.816
bonds (distance) P-C4' energy: -80.043
flat angles C4'-P-C4' energy: -74.597
flat angles P-C4'-P energy: -40.127
tors. eta vs tors. theta energy: -30.092
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: 2
=====================================
Write number: 342
Temperature: 1.200000
Total energy: -446.331692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -446.331692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -446.331692 (E_RNA)
where:
Base-Base interactions energy: -150.988
where: short stacking energy: -141.006
Base-Backbone interact. energy: -1.847
local terms energy: -293.496888
where:
bonds (distance) C4'-P energy: -87.586
bonds (distance) P-C4' energy: -79.018
flat angles C4'-P-C4' energy: -69.476
flat angles P-C4'-P energy: -51.341
tors. eta vs tors. theta energy: -6.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 342
Temperature: 1.250000
Total energy: -423.898832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -423.898832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -423.898832 (E_RNA)
where:
Base-Base interactions energy: -160.491
where: short stacking energy: -145.569
Base-Backbone interact. energy: -0.663
local terms energy: -262.744654
where:
bonds (distance) C4'-P energy: -76.397
bonds (distance) P-C4' energy: -67.819
flat angles C4'-P-C4' energy: -73.285
flat angles P-C4'-P energy: -41.499
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: 5
=====================================
Write number: 342
Temperature: 1.300000
Total energy: -376.010000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -376.010000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -376.010000 (E_RNA)
where:
Base-Base interactions energy: -121.969
where: short stacking energy: -110.956
Base-Backbone interact. energy: 3.594
local terms energy: -257.635216
where:
bonds (distance) C4'-P energy: -75.098
bonds (distance) P-C4' energy: -79.625
flat angles C4'-P-C4' energy: -72.532
flat angles P-C4'-P energy: -46.519
tors. eta vs tors. theta energy: 16.140
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 342
Temperature: 1.350000
Total energy: -329.933491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.933491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.933491 (E_RNA)
where:
Base-Base interactions energy: -118.734
where: short stacking energy: -96.942
Base-Backbone interact. energy: 4.020
local terms energy: -215.219567
where:
bonds (distance) C4'-P energy: -64.244
bonds (distance) P-C4' energy: -71.194
flat angles C4'-P-C4' energy: -57.611
flat angles P-C4'-P energy: -37.092
tors. eta vs tors. theta energy: 14.922
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: 1
=====================================
Write number: 343
Temperature: 0.900000
Total energy: -1285.488248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1285.488248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1285.488248 (E_RNA)
where:
Base-Base interactions energy: -784.394
where: short stacking energy: -432.462
Base-Backbone interact. energy: -2.110
local terms energy: -498.984737
where:
bonds (distance) C4'-P energy: -99.932
bonds (distance) P-C4' energy: -86.621
flat angles C4'-P-C4' energy: -109.630
flat angles P-C4'-P energy: -71.907
tors. eta vs tors. theta energy: -130.895
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: 4
=====================================
Write number: 343
Temperature: 0.950000
Total energy: -1148.409633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1148.409633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1148.409633 (E_RNA)
where:
Base-Base interactions energy: -695.623
where: short stacking energy: -413.689
Base-Backbone interact. energy: -1.278
local terms energy: -451.508693
where:
bonds (distance) C4'-P energy: -87.788
bonds (distance) P-C4' energy: -79.401
flat angles C4'-P-C4' energy: -94.335
flat angles P-C4'-P energy: -72.150
tors. eta vs tors. theta energy: -117.834
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 343
Temperature: 1.000000
Total energy: -900.248963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -900.248963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -900.248963 (E_RNA)
where:
Base-Base interactions energy: -483.200
where: short stacking energy: -287.246
Base-Backbone interact. energy: 0.011
local terms energy: -417.059496
where:
bonds (distance) C4'-P energy: -96.100
bonds (distance) P-C4' energy: -88.038
flat angles C4'-P-C4' energy: -91.178
flat angles P-C4'-P energy: -66.455
tors. eta vs tors. theta energy: -75.290
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: 343
Temperature: 1.050000
Total energy: -805.637337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -805.637337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -805.637337 (E_RNA)
where:
Base-Base interactions energy: -435.862
where: short stacking energy: -294.941
Base-Backbone interact. energy: -1.334
local terms energy: -368.440754
where:
bonds (distance) C4'-P energy: -80.122
bonds (distance) P-C4' energy: -92.891
flat angles C4'-P-C4' energy: -84.739
flat angles P-C4'-P energy: -47.823
tors. eta vs tors. theta energy: -62.865
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: 3
=====================================
Write number: 343
Temperature: 1.100000
Total energy: -672.542784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -672.542784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -672.542784 (E_RNA)
where:
Base-Base interactions energy: -338.420
where: short stacking energy: -208.920
Base-Backbone interact. energy: -2.016
local terms energy: -332.106455
where:
bonds (distance) C4'-P energy: -77.583
bonds (distance) P-C4' energy: -89.418
flat angles C4'-P-C4' energy: -75.159
flat angles P-C4'-P energy: -59.779
tors. eta vs tors. theta energy: -30.167
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: 8
=====================================
Write number: 343
Temperature: 1.150000
Total energy: -503.464762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -503.464762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.464762 (E_RNA)
where:
Base-Base interactions energy: -190.633
where: short stacking energy: -169.034
Base-Backbone interact. energy: 1.920
local terms energy: -314.752202
where:
bonds (distance) C4'-P energy: -78.998
bonds (distance) P-C4' energy: -90.370
flat angles C4'-P-C4' energy: -86.284
flat angles P-C4'-P energy: -45.594
tors. eta vs tors. theta energy: -13.505
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: 2
=====================================
Write number: 343
Temperature: 1.200000
Total energy: -461.814538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -461.814538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -461.814538 (E_RNA)
where:
Base-Base interactions energy: -165.355
where: short stacking energy: -146.231
Base-Backbone interact. energy: -0.726
local terms energy: -295.732793
where:
bonds (distance) C4'-P energy: -82.670
bonds (distance) P-C4' energy: -88.565
flat angles C4'-P-C4' energy: -70.165
flat angles P-C4'-P energy: -47.508
tors. eta vs tors. theta energy: -6.823
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 343
Temperature: 1.250000
Total energy: -420.698101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.698101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -420.698101 (E_RNA)
where:
Base-Base interactions energy: -148.710
where: short stacking energy: -128.890
Base-Backbone interact. energy: 1.767
local terms energy: -273.754623
where:
bonds (distance) C4'-P energy: -79.741
bonds (distance) P-C4' energy: -75.947
flat angles C4'-P-C4' energy: -71.809
flat angles P-C4'-P energy: -50.052
tors. eta vs tors. theta energy: 3.795
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 343
Temperature: 1.300000
Total energy: -380.111949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -380.111949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -380.111949 (E_RNA)
where:
Base-Base interactions energy: -134.517
where: short stacking energy: -115.665
Base-Backbone interact. energy: 3.023
local terms energy: -248.618506
where:
bonds (distance) C4'-P energy: -57.608
bonds (distance) P-C4' energy: -77.832
flat angles C4'-P-C4' energy: -62.556
flat angles P-C4'-P energy: -36.227
tors. eta vs tors. theta energy: -14.396
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 343
Temperature: 1.350000
Total energy: -346.682872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.682872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.682872 (E_RNA)
where:
Base-Base interactions energy: -120.426
where: short stacking energy: -96.924
Base-Backbone interact. energy: -1.180
local terms energy: -225.076547
where:
bonds (distance) C4'-P energy: -77.152
bonds (distance) P-C4' energy: -72.248
flat angles C4'-P-C4' energy: -59.697
flat angles P-C4'-P energy: -35.625
tors. eta vs tors. theta energy: 19.645
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: 1
=====================================
Write number: 344
Temperature: 0.900000
Total energy: -1288.519223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1288.519223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1288.519223 (E_RNA)
where:
Base-Base interactions energy: -816.888
where: short stacking energy: -450.401
Base-Backbone interact. energy: -0.279
local terms energy: -471.351730
where:
bonds (distance) C4'-P energy: -81.435
bonds (distance) P-C4' energy: -88.779
flat angles C4'-P-C4' energy: -100.691
flat angles P-C4'-P energy: -65.080
tors. eta vs tors. theta energy: -135.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 344
Temperature: 0.950000
Total energy: -1168.264312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1168.264312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1168.264312 (E_RNA)
where:
Base-Base interactions energy: -673.807
where: short stacking energy: -426.914
Base-Backbone interact. energy: -2.420
local terms energy: -492.037199
where:
bonds (distance) C4'-P energy: -88.641
bonds (distance) P-C4' energy: -99.005
flat angles C4'-P-C4' energy: -105.624
flat angles P-C4'-P energy: -70.640
tors. eta vs tors. theta energy: -128.127
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 344
Temperature: 1.000000
Total energy: -918.079674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -918.079674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -918.079674 (E_RNA)
where:
Base-Base interactions energy: -513.230
where: short stacking energy: -312.013
Base-Backbone interact. energy: 0.098
local terms energy: -404.947185
where:
bonds (distance) C4'-P energy: -83.782
bonds (distance) P-C4' energy: -94.670
flat angles C4'-P-C4' energy: -95.751
flat angles P-C4'-P energy: -55.537
tors. eta vs tors. theta energy: -75.207
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 344
Temperature: 1.050000
Total energy: -823.201528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -823.201528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -823.201528 (E_RNA)
where:
Base-Base interactions energy: -441.600
where: short stacking energy: -294.025
Base-Backbone interact. energy: -0.223
local terms energy: -381.378987
where:
bonds (distance) C4'-P energy: -85.139
bonds (distance) P-C4' energy: -86.627
flat angles C4'-P-C4' energy: -83.685
flat angles P-C4'-P energy: -54.629
tors. eta vs tors. theta energy: -71.299
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 344
Temperature: 1.100000
Total energy: -673.679149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -673.679149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -673.679149 (E_RNA)
where:
Base-Base interactions energy: -326.741
where: short stacking energy: -219.559
Base-Backbone interact. energy: -1.571
local terms energy: -345.367413
where:
bonds (distance) C4'-P energy: -74.708
bonds (distance) P-C4' energy: -100.819
flat angles C4'-P-C4' energy: -83.777
flat angles P-C4'-P energy: -46.470
tors. eta vs tors. theta energy: -39.594
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 344
Temperature: 1.150000
Total energy: -511.525629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.525629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.525629 (E_RNA)
where:
Base-Base interactions energy: -206.915
where: short stacking energy: -183.199
Base-Backbone interact. energy: -0.619
local terms energy: -303.992132
where:
bonds (distance) C4'-P energy: -76.320
bonds (distance) P-C4' energy: -88.367
flat angles C4'-P-C4' energy: -62.227
flat angles P-C4'-P energy: -51.150
tors. eta vs tors. theta energy: -25.929
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 344
Temperature: 1.200000
Total energy: -461.103792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -461.103792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -461.103792 (E_RNA)
where:
Base-Base interactions energy: -193.824
where: short stacking energy: -121.322
Base-Backbone interact. energy: -2.237
local terms energy: -265.043128
where:
bonds (distance) C4'-P energy: -76.954
bonds (distance) P-C4' energy: -78.893
flat angles C4'-P-C4' energy: -69.033
flat angles P-C4'-P energy: -39.905
tors. eta vs tors. theta energy: -0.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 344
Temperature: 1.250000
Total energy: -409.279497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -409.279497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -409.279497 (E_RNA)
where:
Base-Base interactions energy: -162.831
where: short stacking energy: -129.070
Base-Backbone interact. energy: -2.179
local terms energy: -244.269276
where:
bonds (distance) C4'-P energy: -75.170
bonds (distance) P-C4' energy: -70.629
flat angles C4'-P-C4' energy: -72.868
flat angles P-C4'-P energy: -34.791
tors. eta vs tors. theta energy: 9.189
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 344
Temperature: 1.300000
Total energy: -392.510613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.510613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -392.510613 (E_RNA)
where:
Base-Base interactions energy: -147.583
where: short stacking energy: -113.501
Base-Backbone interact. energy: -2.618
local terms energy: -242.309750
where:
bonds (distance) C4'-P energy: -67.313
bonds (distance) P-C4' energy: -70.688
flat angles C4'-P-C4' energy: -65.875
flat angles P-C4'-P energy: -42.597
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: 10, replica: 9
=====================================
Write number: 344
Temperature: 1.350000
Total energy: -356.480964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.480964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.480964 (E_RNA)
where:
Base-Base interactions energy: -117.046
where: short stacking energy: -99.472
Base-Backbone interact. energy: 3.092
local terms energy: -242.526932
where:
bonds (distance) C4'-P energy: -78.344
bonds (distance) P-C4' energy: -77.716
flat angles C4'-P-C4' energy: -60.192
flat angles P-C4'-P energy: -42.909
tors. eta vs tors. theta energy: 16.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 345
Temperature: 0.900000
Total energy: -1283.891798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1283.891798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1283.891798 (E_RNA)
where:
Base-Base interactions energy: -777.826
where: short stacking energy: -425.971
Base-Backbone interact. energy: -0.987
local terms energy: -505.079020
where:
bonds (distance) C4'-P energy: -92.344
bonds (distance) P-C4' energy: -98.882
flat angles C4'-P-C4' energy: -113.990
flat angles P-C4'-P energy: -71.901
tors. eta vs tors. theta energy: -127.962
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: 2, replica: 4
=====================================
Write number: 345
Temperature: 0.950000
Total energy: -1184.105189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1184.105189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1184.105189 (E_RNA)
where:
Base-Base interactions energy: -716.961
where: short stacking energy: -433.042
Base-Backbone interact. energy: 0.131
local terms energy: -467.275371
where:
bonds (distance) C4'-P energy: -92.398
bonds (distance) P-C4' energy: -84.334
flat angles C4'-P-C4' energy: -96.051
flat angles P-C4'-P energy: -71.445
tors. eta vs tors. theta energy: -123.046
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 345
Temperature: 1.000000
Total energy: -939.948593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -939.948593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -939.948593 (E_RNA)
where:
Base-Base interactions energy: -547.126
where: short stacking energy: -344.761
Base-Backbone interact. energy: -1.880
local terms energy: -390.943249
where:
bonds (distance) C4'-P energy: -70.408
bonds (distance) P-C4' energy: -82.993
flat angles C4'-P-C4' energy: -108.745
flat angles P-C4'-P energy: -43.517
tors. eta vs tors. theta energy: -85.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 345
Temperature: 1.050000
Total energy: -806.449220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -806.449220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -806.449220 (E_RNA)
where:
Base-Base interactions energy: -421.154
where: short stacking energy: -274.346
Base-Backbone interact. energy: -1.805
local terms energy: -383.490194
where:
bonds (distance) C4'-P energy: -92.919
bonds (distance) P-C4' energy: -76.913
flat angles C4'-P-C4' energy: -84.939
flat angles P-C4'-P energy: -60.608
tors. eta vs tors. theta energy: -68.111
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 345
Temperature: 1.100000
Total energy: -686.983187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -686.983187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -686.983187 (E_RNA)
where:
Base-Base interactions energy: -346.303
where: short stacking energy: -223.329
Base-Backbone interact. energy: 0.116
local terms energy: -340.795527
where:
bonds (distance) C4'-P energy: -79.353
bonds (distance) P-C4' energy: -91.780
flat angles C4'-P-C4' energy: -79.746
flat angles P-C4'-P energy: -60.976
tors. eta vs tors. theta energy: -28.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 345
Temperature: 1.150000
Total energy: -496.424252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.424252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.424252 (E_RNA)
where:
Base-Base interactions energy: -206.185
where: short stacking energy: -178.092
Base-Backbone interact. energy: 0.776
local terms energy: -291.015116
where:
bonds (distance) C4'-P energy: -87.780
bonds (distance) P-C4' energy: -92.629
flat angles C4'-P-C4' energy: -71.419
flat angles P-C4'-P energy: -32.536
tors. eta vs tors. theta energy: -6.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 345
Temperature: 1.200000
Total energy: -433.511274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -433.511274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -433.511274 (E_RNA)
where:
Base-Base interactions energy: -154.151
where: short stacking energy: -137.236
Base-Backbone interact. energy: -2.674
local terms energy: -276.686525
where:
bonds (distance) C4'-P energy: -72.418
bonds (distance) P-C4' energy: -77.009
flat angles C4'-P-C4' energy: -83.497
flat angles P-C4'-P energy: -42.170
tors. eta vs tors. theta energy: -1.593
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 345
Temperature: 1.250000
Total energy: -398.808011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -398.808011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -398.808011 (E_RNA)
where:
Base-Base interactions energy: -143.291
where: short stacking energy: -116.633
Base-Backbone interact. energy: 1.367
local terms energy: -256.884307
where:
bonds (distance) C4'-P energy: -83.337
bonds (distance) P-C4' energy: -89.519
flat angles C4'-P-C4' energy: -69.530
flat angles P-C4'-P energy: -33.043
tors. eta vs tors. theta energy: 18.544
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: 10
=====================================
Write number: 345
Temperature: 1.300000
Total energy: -390.647575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -390.647575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -390.647575 (E_RNA)
where:
Base-Base interactions energy: -137.493
where: short stacking energy: -119.561
Base-Backbone interact. energy: 1.170
local terms energy: -254.324895
where:
bonds (distance) C4'-P energy: -68.473
bonds (distance) P-C4' energy: -79.537
flat angles C4'-P-C4' energy: -58.613
flat angles P-C4'-P energy: -50.143
tors. eta vs tors. theta energy: 2.441
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: 9
=====================================
Write number: 345
Temperature: 1.350000
Total energy: -358.138864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.138864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.138864 (E_RNA)
where:
Base-Base interactions energy: -105.172
where: short stacking energy: -96.760
Base-Backbone interact. energy: -0.072
local terms energy: -252.895334
where:
bonds (distance) C4'-P energy: -82.198
bonds (distance) P-C4' energy: -70.247
flat angles C4'-P-C4' energy: -59.950
flat angles P-C4'-P energy: -46.427
tors. eta vs tors. theta energy: 5.926
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: 1
=====================================
Write number: 346
Temperature: 0.900000
Total energy: -1261.340109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1261.340109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1261.340109 (E_RNA)
where:
Base-Base interactions energy: -773.645
where: short stacking energy: -426.529
Base-Backbone interact. energy: -3.008
local terms energy: -484.686286
where:
bonds (distance) C4'-P energy: -93.175
bonds (distance) P-C4' energy: -89.575
flat angles C4'-P-C4' energy: -104.063
flat angles P-C4'-P energy: -63.862
tors. eta vs tors. theta energy: -134.011
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 346
Temperature: 0.950000
Total energy: -1167.716069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1167.716069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1167.716069 (E_RNA)
where:
Base-Base interactions energy: -672.114
where: short stacking energy: -417.553
Base-Backbone interact. energy: -0.517
local terms energy: -495.085098
where:
bonds (distance) C4'-P energy: -89.784
bonds (distance) P-C4' energy: -106.075
flat angles C4'-P-C4' energy: -102.236
flat angles P-C4'-P energy: -58.814
tors. eta vs tors. theta energy: -138.175
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 346
Temperature: 1.000000
Total energy: -914.965563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -914.965563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -914.965563 (E_RNA)
where:
Base-Base interactions energy: -510.387
where: short stacking energy: -321.466
Base-Backbone interact. energy: 1.734
local terms energy: -406.312664
where:
bonds (distance) C4'-P energy: -77.064
bonds (distance) P-C4' energy: -99.223
flat angles C4'-P-C4' energy: -88.448
flat angles P-C4'-P energy: -58.070
tors. eta vs tors. theta energy: -83.509
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: 6
=====================================
Write number: 346
Temperature: 1.050000
Total energy: -767.556129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -767.556129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -767.556129 (E_RNA)
where:
Base-Base interactions energy: -393.866
where: short stacking energy: -255.503
Base-Backbone interact. energy: -1.709
local terms energy: -371.980333
where:
bonds (distance) C4'-P energy: -74.830
bonds (distance) P-C4' energy: -86.231
flat angles C4'-P-C4' energy: -94.023
flat angles P-C4'-P energy: -59.842
tors. eta vs tors. theta energy: -57.053
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 346
Temperature: 1.100000
Total energy: -702.813992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -702.813992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -702.813992 (E_RNA)
where:
Base-Base interactions energy: -350.353
where: short stacking energy: -226.042
Base-Backbone interact. energy: 0.436
local terms energy: -352.897091
where:
bonds (distance) C4'-P energy: -80.173
bonds (distance) P-C4' energy: -92.571
flat angles C4'-P-C4' energy: -70.882
flat angles P-C4'-P energy: -55.966
tors. eta vs tors. theta energy: -53.307
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: 8
=====================================
Write number: 346
Temperature: 1.150000
Total energy: -517.544658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.544658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.544658 (E_RNA)
where:
Base-Base interactions energy: -203.888
where: short stacking energy: -181.295
Base-Backbone interact. energy: 2.817
local terms energy: -316.473559
where:
bonds (distance) C4'-P energy: -91.725
bonds (distance) P-C4' energy: -86.100
flat angles C4'-P-C4' energy: -76.462
flat angles P-C4'-P energy: -43.320
tors. eta vs tors. theta energy: -18.868
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 346
Temperature: 1.200000
Total energy: -441.951105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -441.951105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -441.951105 (E_RNA)
where:
Base-Base interactions energy: -145.563
where: short stacking energy: -131.894
Base-Backbone interact. energy: -1.577
local terms energy: -294.810816
where:
bonds (distance) C4'-P energy: -59.700
bonds (distance) P-C4' energy: -82.879
flat angles C4'-P-C4' energy: -73.558
flat angles P-C4'-P energy: -55.826
tors. eta vs tors. theta energy: -22.848
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: 2
=====================================
Write number: 346
Temperature: 1.250000
Total energy: -406.154943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.154943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -406.154943 (E_RNA)
where:
Base-Base interactions energy: -152.227
where: short stacking energy: -129.668
Base-Backbone interact. energy: 0.438
local terms energy: -254.364990
where:
bonds (distance) C4'-P energy: -72.807
bonds (distance) P-C4' energy: -80.494
flat angles C4'-P-C4' energy: -73.662
flat angles P-C4'-P energy: -30.845
tors. eta vs tors. theta energy: 3.442
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 346
Temperature: 1.300000
Total energy: -386.549172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -386.549172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -386.549172 (E_RNA)
where:
Base-Base interactions energy: -112.825
where: short stacking energy: -103.081
Base-Backbone interact. energy: 1.162
local terms energy: -274.886738
where:
bonds (distance) C4'-P energy: -80.023
bonds (distance) P-C4' energy: -80.267
flat angles C4'-P-C4' energy: -73.714
flat angles P-C4'-P energy: -45.039
tors. eta vs tors. theta energy: 4.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 346
Temperature: 1.350000
Total energy: -366.907387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.907387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.907387 (E_RNA)
where:
Base-Base interactions energy: -110.585
where: short stacking energy: -98.109
Base-Backbone interact. energy: 1.251
local terms energy: -257.573444
where:
bonds (distance) C4'-P energy: -75.151
bonds (distance) P-C4' energy: -88.785
flat angles C4'-P-C4' energy: -61.443
flat angles P-C4'-P energy: -48.049
tors. eta vs tors. theta energy: 15.855
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: 1
=====================================
Write number: 347
Temperature: 0.900000
Total energy: -1251.921999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1251.921999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1251.921999 (E_RNA)
where:
Base-Base interactions energy: -772.062
where: short stacking energy: -435.243
Base-Backbone interact. energy: -2.155
local terms energy: -477.704435
where:
bonds (distance) C4'-P energy: -91.830
bonds (distance) P-C4' energy: -92.562
flat angles C4'-P-C4' energy: -106.007
flat angles P-C4'-P energy: -61.169
tors. eta vs tors. theta energy: -126.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 347
Temperature: 0.950000
Total energy: -1151.532311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1151.532311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1151.532311 (E_RNA)
where:
Base-Base interactions energy: -684.084
where: short stacking energy: -397.569
Base-Backbone interact. energy: -0.915
local terms energy: -466.533131
where:
bonds (distance) C4'-P energy: -78.597
bonds (distance) P-C4' energy: -96.323
flat angles C4'-P-C4' energy: -101.630
flat angles P-C4'-P energy: -71.759
tors. eta vs tors. theta energy: -118.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 347
Temperature: 1.000000
Total energy: -943.770968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -943.770968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -943.770968 (E_RNA)
where:
Base-Base interactions energy: -550.541
where: short stacking energy: -318.575
Base-Backbone interact. energy: -0.160
local terms energy: -393.069954
where:
bonds (distance) C4'-P energy: -86.514
bonds (distance) P-C4' energy: -79.934
flat angles C4'-P-C4' energy: -84.743
flat angles P-C4'-P energy: -60.771
tors. eta vs tors. theta energy: -81.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 347
Temperature: 1.050000
Total energy: -796.568909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -796.568909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -796.568909 (E_RNA)
where:
Base-Base interactions energy: -418.801
where: short stacking energy: -279.937
Base-Backbone interact. energy: 1.034
local terms energy: -378.802310
where:
bonds (distance) C4'-P energy: -92.391
bonds (distance) P-C4' energy: -85.240
flat angles C4'-P-C4' energy: -83.131
flat angles P-C4'-P energy: -59.123
tors. eta vs tors. theta energy: -58.917
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: 5, replica: 3
=====================================
Write number: 347
Temperature: 1.100000
Total energy: -686.878249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -686.878249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -686.878249 (E_RNA)
where:
Base-Base interactions energy: -339.123
where: short stacking energy: -245.763
Base-Backbone interact. energy: -2.672
local terms energy: -345.083325
where:
bonds (distance) C4'-P energy: -76.542
bonds (distance) P-C4' energy: -87.910
flat angles C4'-P-C4' energy: -86.609
flat angles P-C4'-P energy: -47.566
tors. eta vs tors. theta energy: -46.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 347
Temperature: 1.150000
Total energy: -507.441441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.441441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.441441 (E_RNA)
where:
Base-Base interactions energy: -185.056
where: short stacking energy: -172.185
Base-Backbone interact. energy: 0.492
local terms energy: -322.876919
where:
bonds (distance) C4'-P energy: -76.179
bonds (distance) P-C4' energy: -88.222
flat angles C4'-P-C4' energy: -80.823
flat angles P-C4'-P energy: -50.872
tors. eta vs tors. theta energy: -26.780
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 347
Temperature: 1.200000
Total energy: -451.219877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -451.219877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -451.219877 (E_RNA)
where:
Base-Base interactions energy: -191.671
where: short stacking energy: -162.051
Base-Backbone interact. energy: 1.900
local terms energy: -261.448700
where:
bonds (distance) C4'-P energy: -68.628
bonds (distance) P-C4' energy: -79.339
flat angles C4'-P-C4' energy: -67.191
flat angles P-C4'-P energy: -43.248
tors. eta vs tors. theta energy: -3.042
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: 8, replica: 2
=====================================
Write number: 347
Temperature: 1.250000
Total energy: -421.951996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.951996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -421.951996 (E_RNA)
where:
Base-Base interactions energy: -169.828
where: short stacking energy: -119.738
Base-Backbone interact. energy: -1.245
local terms energy: -250.879191
where:
bonds (distance) C4'-P energy: -86.788
bonds (distance) P-C4' energy: -76.590
flat angles C4'-P-C4' energy: -57.251
flat angles P-C4'-P energy: -41.064
tors. eta vs tors. theta energy: 10.814
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 347
Temperature: 1.300000
Total energy: -438.847866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -438.847866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -438.847866 (E_RNA)
where:
Base-Base interactions energy: -151.748
where: short stacking energy: -117.068
Base-Backbone interact. energy: -1.380
local terms energy: -285.719787
where:
bonds (distance) C4'-P energy: -76.927
bonds (distance) P-C4' energy: -80.502
flat angles C4'-P-C4' energy: -83.894
flat angles P-C4'-P energy: -46.888
tors. eta vs tors. theta energy: 2.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 347
Temperature: 1.350000
Total energy: -367.745268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.745268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.745268 (E_RNA)
where:
Base-Base interactions energy: -105.233
where: short stacking energy: -99.785
Base-Backbone interact. energy: 0.083
local terms energy: -262.595602
where:
bonds (distance) C4'-P energy: -76.683
bonds (distance) P-C4' energy: -68.821
flat angles C4'-P-C4' energy: -70.211
flat angles P-C4'-P energy: -47.225
tors. eta vs tors. theta energy: 0.345
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: 1
=====================================
Write number: 348
Temperature: 0.900000
Total energy: -1229.972329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1229.972329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1229.972329 (E_RNA)
where:
Base-Base interactions energy: -737.728
where: short stacking energy: -416.416
Base-Backbone interact. energy: 1.008
local terms energy: -493.252163
where:
bonds (distance) C4'-P energy: -96.996
bonds (distance) P-C4' energy: -94.491
flat angles C4'-P-C4' energy: -106.770
flat angles P-C4'-P energy: -68.466
tors. eta vs tors. theta energy: -126.529
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 348
Temperature: 0.950000
Total energy: -1219.517310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1219.517310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1219.517310 (E_RNA)
where:
Base-Base interactions energy: -720.782
where: short stacking energy: -436.641
Base-Backbone interact. energy: -0.504
local terms energy: -498.231468
where:
bonds (distance) C4'-P energy: -93.751
bonds (distance) P-C4' energy: -91.224
flat angles C4'-P-C4' energy: -100.921
flat angles P-C4'-P energy: -69.352
tors. eta vs tors. theta energy: -142.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 348
Temperature: 1.000000
Total energy: -870.947169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -870.947169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -870.947169 (E_RNA)
where:
Base-Base interactions energy: -473.266
where: short stacking energy: -300.735
Base-Backbone interact. energy: -2.610
local terms energy: -395.070742
where:
bonds (distance) C4'-P energy: -83.540
bonds (distance) P-C4' energy: -96.727
flat angles C4'-P-C4' energy: -92.927
flat angles P-C4'-P energy: -58.428
tors. eta vs tors. theta energy: -63.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 348
Temperature: 1.050000
Total energy: -867.654643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -867.654643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -867.654643 (E_RNA)
where:
Base-Base interactions energy: -460.186
where: short stacking energy: -282.942
Base-Backbone interact. energy: -2.382
local terms energy: -405.086906
where:
bonds (distance) C4'-P energy: -71.812
bonds (distance) P-C4' energy: -93.160
flat angles C4'-P-C4' energy: -89.836
flat angles P-C4'-P energy: -65.461
tors. eta vs tors. theta energy: -84.818
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 348
Temperature: 1.100000
Total energy: -680.719278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -680.719278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -680.719278 (E_RNA)
where:
Base-Base interactions energy: -345.246
where: short stacking energy: -217.197
Base-Backbone interact. energy: 0.055
local terms energy: -335.527814
where:
bonds (distance) C4'-P energy: -84.268
bonds (distance) P-C4' energy: -77.902
flat angles C4'-P-C4' energy: -83.316
flat angles P-C4'-P energy: -51.912
tors. eta vs tors. theta energy: -38.129
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 348
Temperature: 1.150000
Total energy: -498.273100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.273100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.273100 (E_RNA)
where:
Base-Base interactions energy: -193.951
where: short stacking energy: -158.641
Base-Backbone interact. energy: 0.361
local terms energy: -304.682757
where:
bonds (distance) C4'-P energy: -80.205
bonds (distance) P-C4' energy: -97.170
flat angles C4'-P-C4' energy: -79.047
flat angles P-C4'-P energy: -46.555
tors. eta vs tors. theta energy: -1.706
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: 2
=====================================
Write number: 348
Temperature: 1.200000
Total energy: -475.765686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -475.765686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -475.765686 (E_RNA)
where:
Base-Base interactions energy: -212.273
where: short stacking energy: -179.026
Base-Backbone interact. energy: 0.795
local terms energy: -264.287651
where:
bonds (distance) C4'-P energy: -76.077
bonds (distance) P-C4' energy: -77.699
flat angles C4'-P-C4' energy: -73.777
flat angles P-C4'-P energy: -35.147
tors. eta vs tors. theta energy: -1.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 348
Temperature: 1.250000
Total energy: -421.478317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.478317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -421.478317 (E_RNA)
where:
Base-Base interactions energy: -135.230
where: short stacking energy: -113.347
Base-Backbone interact. energy: -1.005
local terms energy: -285.244196
where:
bonds (distance) C4'-P energy: -76.126
bonds (distance) P-C4' energy: -80.863
flat angles C4'-P-C4' energy: -68.543
flat angles P-C4'-P energy: -56.341
tors. eta vs tors. theta energy: -3.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 348
Temperature: 1.300000
Total energy: -392.886307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.886307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -392.886307 (E_RNA)
where:
Base-Base interactions energy: -142.758
where: short stacking energy: -126.824
Base-Backbone interact. energy: -1.056
local terms energy: -249.072187
where:
bonds (distance) C4'-P energy: -63.155
bonds (distance) P-C4' energy: -89.525
flat angles C4'-P-C4' energy: -72.857
flat angles P-C4'-P energy: -28.024
tors. eta vs tors. theta energy: 4.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 348
Temperature: 1.350000
Total energy: -333.951765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.951765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.951765 (E_RNA)
where:
Base-Base interactions energy: -115.014
where: short stacking energy: -104.587
Base-Backbone interact. energy: -0.726
local terms energy: -218.211743
where:
bonds (distance) C4'-P energy: -60.878
bonds (distance) P-C4' energy: -83.919
flat angles C4'-P-C4' energy: -50.876
flat angles P-C4'-P energy: -39.043
tors. eta vs tors. theta energy: 16.504
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 349
Temperature: 0.900000
Total energy: -1277.835690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1277.835690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1277.835690 (E_RNA)
where:
Base-Base interactions energy: -791.579
where: short stacking energy: -432.344
Base-Backbone interact. energy: -2.031
local terms energy: -484.225050
where:
bonds (distance) C4'-P energy: -88.396
bonds (distance) P-C4' energy: -92.183
flat angles C4'-P-C4' energy: -101.580
flat angles P-C4'-P energy: -69.138
tors. eta vs tors. theta energy: -132.928
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 349
Temperature: 0.950000
Total energy: -1241.680624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1241.680624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1241.680624 (E_RNA)
where:
Base-Base interactions energy: -757.977
where: short stacking energy: -456.647
Base-Backbone interact. energy: -1.202
local terms energy: -482.502292
where:
bonds (distance) C4'-P energy: -89.214
bonds (distance) P-C4' energy: -79.825
flat angles C4'-P-C4' energy: -100.590
flat angles P-C4'-P energy: -70.628
tors. eta vs tors. theta energy: -142.245
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 349
Temperature: 1.000000
Total energy: -889.073157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -889.073157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -889.073157 (E_RNA)
where:
Base-Base interactions energy: -472.375
where: short stacking energy: -297.511
Base-Backbone interact. energy: -0.781
local terms energy: -415.917359
where:
bonds (distance) C4'-P energy: -77.244
bonds (distance) P-C4' energy: -103.862
flat angles C4'-P-C4' energy: -100.172
flat angles P-C4'-P energy: -58.473
tors. eta vs tors. theta energy: -76.166
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: 7
=====================================
Write number: 349
Temperature: 1.050000
Total energy: -831.615028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -831.615028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -831.615028 (E_RNA)
where:
Base-Base interactions energy: -448.803
where: short stacking energy: -259.642
Base-Backbone interact. energy: -1.892
local terms energy: -380.920285
where:
bonds (distance) C4'-P energy: -89.125
bonds (distance) P-C4' energy: -91.687
flat angles C4'-P-C4' energy: -84.506
flat angles P-C4'-P energy: -62.694
tors. eta vs tors. theta energy: -52.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 349
Temperature: 1.100000
Total energy: -685.932690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -685.932690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -685.932690 (E_RNA)
where:
Base-Base interactions energy: -332.384
where: short stacking energy: -228.681
Base-Backbone interact. energy: -1.252
local terms energy: -352.296041
where:
bonds (distance) C4'-P energy: -92.929
bonds (distance) P-C4' energy: -77.350
flat angles C4'-P-C4' energy: -94.825
flat angles P-C4'-P energy: -43.332
tors. eta vs tors. theta energy: -43.859
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 349
Temperature: 1.150000
Total energy: -519.833826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.833826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.833826 (E_RNA)
where:
Base-Base interactions energy: -225.387
where: short stacking energy: -179.603
Base-Backbone interact. energy: 1.720
local terms energy: -296.166806
where:
bonds (distance) C4'-P energy: -74.199
bonds (distance) P-C4' energy: -98.361
flat angles C4'-P-C4' energy: -58.267
flat angles P-C4'-P energy: -46.830
tors. eta vs tors. theta energy: -18.510
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: 2
=====================================
Write number: 349
Temperature: 1.200000
Total energy: -433.373306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -433.373306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -433.373306 (E_RNA)
where:
Base-Base interactions energy: -149.448
where: short stacking energy: -132.561
Base-Backbone interact. energy: 0.772
local terms energy: -284.696841
where:
bonds (distance) C4'-P energy: -76.008
bonds (distance) P-C4' energy: -84.757
flat angles C4'-P-C4' energy: -72.352
flat angles P-C4'-P energy: -36.410
tors. eta vs tors. theta energy: -15.170
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 349
Temperature: 1.250000
Total energy: -426.613748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -426.613748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -426.613748 (E_RNA)
where:
Base-Base interactions energy: -162.010
where: short stacking energy: -136.580
Base-Backbone interact. energy: -0.983
local terms energy: -263.620124
where:
bonds (distance) C4'-P energy: -68.854
bonds (distance) P-C4' energy: -81.867
flat angles C4'-P-C4' energy: -67.724
flat angles P-C4'-P energy: -40.044
tors. eta vs tors. theta energy: -5.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 349
Temperature: 1.300000
Total energy: -368.580200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.580200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.580200 (E_RNA)
where:
Base-Base interactions energy: -146.072
where: short stacking energy: -134.497
Base-Backbone interact. energy: 0.612
local terms energy: -223.119992
where:
bonds (distance) C4'-P energy: -72.658
bonds (distance) P-C4' energy: -61.288
flat angles C4'-P-C4' energy: -60.465
flat angles P-C4'-P energy: -44.904
tors. eta vs tors. theta energy: 16.194
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: 9
=====================================
Write number: 349
Temperature: 1.350000
Total energy: -356.810826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.810826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.810826 (E_RNA)
where:
Base-Base interactions energy: -91.706
where: short stacking energy: -79.833
Base-Backbone interact. energy: -2.237
local terms energy: -262.868009
where:
bonds (distance) C4'-P energy: -77.496
bonds (distance) P-C4' energy: -86.993
flat angles C4'-P-C4' energy: -74.083
flat angles P-C4'-P energy: -48.291
tors. eta vs tors. theta energy: 23.995
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 350
Temperature: 0.900000
Total energy: -1310.533966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1310.533966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1310.533966 (E_RNA)
where:
Base-Base interactions energy: -802.236
where: short stacking energy: -440.941
Base-Backbone interact. energy: -3.061
local terms energy: -505.237022
where:
bonds (distance) C4'-P energy: -91.203
bonds (distance) P-C4' energy: -97.869
flat angles C4'-P-C4' energy: -110.914
flat angles P-C4'-P energy: -70.597
tors. eta vs tors. theta energy: -134.653
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: 350
Temperature: 0.950000
Total energy: -1193.077179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1193.077179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1193.077179 (E_RNA)
where:
Base-Base interactions energy: -726.688
where: short stacking energy: -385.657
Base-Backbone interact. energy: 0.014
local terms energy: -466.403015
where:
bonds (distance) C4'-P energy: -86.881
bonds (distance) P-C4' energy: -91.431
flat angles C4'-P-C4' energy: -92.377
flat angles P-C4'-P energy: -68.781
tors. eta vs tors. theta energy: -126.933
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 350
Temperature: 1.000000
Total energy: -911.841390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -911.841390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -911.841390 (E_RNA)
where:
Base-Base interactions energy: -503.526
where: short stacking energy: -319.088
Base-Backbone interact. energy: -2.927
local terms energy: -405.388606
where:
bonds (distance) C4'-P energy: -85.573
bonds (distance) P-C4' energy: -94.593
flat angles C4'-P-C4' energy: -80.781
flat angles P-C4'-P energy: -62.318
tors. eta vs tors. theta energy: -82.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 350
Temperature: 1.050000
Total energy: -848.735983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -848.735983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -848.735983 (E_RNA)
where:
Base-Base interactions energy: -462.899
where: short stacking energy: -288.120
Base-Backbone interact. energy: -0.859
local terms energy: -384.978515
where:
bonds (distance) C4'-P energy: -80.205
bonds (distance) P-C4' energy: -93.161
flat angles C4'-P-C4' energy: -87.902
flat angles P-C4'-P energy: -59.129
tors. eta vs tors. theta energy: -64.581
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: 5, replica: 3
=====================================
Write number: 350
Temperature: 1.100000
Total energy: -694.408639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -694.408639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -694.408639 (E_RNA)
where:
Base-Base interactions energy: -339.640
where: short stacking energy: -222.029
Base-Backbone interact. energy: -2.025
local terms energy: -352.743000
where:
bonds (distance) C4'-P energy: -79.463
bonds (distance) P-C4' energy: -93.608
flat angles C4'-P-C4' energy: -79.885
flat angles P-C4'-P energy: -52.283
tors. eta vs tors. theta energy: -47.503
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: 5
=====================================
Write number: 350
Temperature: 1.150000
Total energy: -537.691960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.691960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.691960 (E_RNA)
where:
Base-Base interactions energy: -242.612
where: short stacking energy: -182.148
Base-Backbone interact. energy: 1.129
local terms energy: -296.209100
where:
bonds (distance) C4'-P energy: -85.001
bonds (distance) P-C4' energy: -61.056
flat angles C4'-P-C4' energy: -76.555
flat angles P-C4'-P energy: -51.765
tors. eta vs tors. theta energy: -21.833
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: 7, replica: 2
=====================================
Write number: 350
Temperature: 1.200000
Total energy: -433.354682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -433.354682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -433.354682 (E_RNA)
where:
Base-Base interactions energy: -154.235
where: short stacking energy: -143.765
Base-Backbone interact. energy: -1.109
local terms energy: -278.011676
where:
bonds (distance) C4'-P energy: -70.184
bonds (distance) P-C4' energy: -95.567
flat angles C4'-P-C4' energy: -60.957
flat angles P-C4'-P energy: -39.852
tors. eta vs tors. theta energy: -11.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 350
Temperature: 1.250000
Total energy: -433.044448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -433.044448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -433.044448 (E_RNA)
where:
Base-Base interactions energy: -153.519
where: short stacking energy: -125.851
Base-Backbone interact. energy: -2.047
local terms energy: -277.478388
where:
bonds (distance) C4'-P energy: -75.279
bonds (distance) P-C4' energy: -85.696
flat angles C4'-P-C4' energy: -76.844
flat angles P-C4'-P energy: -35.144
tors. eta vs tors. theta energy: -4.515
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: 9
=====================================
Write number: 350
Temperature: 1.300000
Total energy: -370.779739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.779739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.779739 (E_RNA)
where:
Base-Base interactions energy: -97.839
where: short stacking energy: -95.159
Base-Backbone interact. energy: -0.454
local terms energy: -272.487479
where:
bonds (distance) C4'-P energy: -78.168
bonds (distance) P-C4' energy: -96.037
flat angles C4'-P-C4' energy: -68.356
flat angles P-C4'-P energy: -42.967
tors. eta vs tors. theta energy: 13.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 350
Temperature: 1.350000
Total energy: -343.920477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.920477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.920477 (E_RNA)
where:
Base-Base interactions energy: -91.267
where: short stacking energy: -81.763
Base-Backbone interact. energy: 1.033
local terms energy: -253.687005
where:
bonds (distance) C4'-P energy: -76.717
bonds (distance) P-C4' energy: -79.930
flat angles C4'-P-C4' energy: -67.599
flat angles P-C4'-P energy: -47.195
tors. eta vs tors. theta energy: 17.754
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: 351
Temperature: 0.900000
Total energy: -1276.984272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1276.984272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1276.984272 (E_RNA)
where:
Base-Base interactions energy: -808.085
where: short stacking energy: -438.145
Base-Backbone interact. energy: -2.436
local terms energy: -466.463343
where:
bonds (distance) C4'-P energy: -86.834
bonds (distance) P-C4' energy: -105.067
flat angles C4'-P-C4' energy: -91.878
flat angles P-C4'-P energy: -61.647
tors. eta vs tors. theta energy: -121.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 351
Temperature: 0.950000
Total energy: -1220.319155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1220.319155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1220.319155 (E_RNA)
where:
Base-Base interactions energy: -731.458
where: short stacking energy: -415.066
Base-Backbone interact. energy: -1.515
local terms energy: -487.346238
where:
bonds (distance) C4'-P energy: -103.313
bonds (distance) P-C4' energy: -89.824
flat angles C4'-P-C4' energy: -102.081
flat angles P-C4'-P energy: -58.662
tors. eta vs tors. theta energy: -133.466
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 351
Temperature: 1.000000
Total energy: -854.105331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -854.105331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -854.105331 (E_RNA)
where:
Base-Base interactions energy: -456.451
where: short stacking energy: -287.807
Base-Backbone interact. energy: 1.381
local terms energy: -399.035204
where:
bonds (distance) C4'-P energy: -89.747
bonds (distance) P-C4' energy: -83.321
flat angles C4'-P-C4' energy: -87.773
flat angles P-C4'-P energy: -70.139
tors. eta vs tors. theta energy: -68.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 351
Temperature: 1.050000
Total energy: -809.283519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -809.283519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -809.283519 (E_RNA)
where:
Base-Base interactions energy: -437.877
where: short stacking energy: -279.049
Base-Backbone interact. energy: -0.818
local terms energy: -370.588354
where:
bonds (distance) C4'-P energy: -85.304
bonds (distance) P-C4' energy: -87.843
flat angles C4'-P-C4' energy: -78.513
flat angles P-C4'-P energy: -58.225
tors. eta vs tors. theta energy: -60.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 351
Temperature: 1.100000
Total energy: -674.915801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -674.915801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -674.915801 (E_RNA)
where:
Base-Base interactions energy: -348.865
where: short stacking energy: -253.722
Base-Backbone interact. energy: 0.595
local terms energy: -326.645536
where:
bonds (distance) C4'-P energy: -85.812
bonds (distance) P-C4' energy: -91.252
flat angles C4'-P-C4' energy: -59.673
flat angles P-C4'-P energy: -34.615
tors. eta vs tors. theta energy: -55.294
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 351
Temperature: 1.150000
Total energy: -544.153639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.153639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.153639 (E_RNA)
where:
Base-Base interactions energy: -244.503
where: short stacking energy: -169.879
Base-Backbone interact. energy: -0.808
local terms energy: -298.842400
where:
bonds (distance) C4'-P energy: -88.493
bonds (distance) P-C4' energy: -75.268
flat angles C4'-P-C4' energy: -80.271
flat angles P-C4'-P energy: -37.326
tors. eta vs tors. theta energy: -17.485
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: 2
=====================================
Write number: 351
Temperature: 1.200000
Total energy: -434.356121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -434.356121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -434.356121 (E_RNA)
where:
Base-Base interactions energy: -145.599
where: short stacking energy: -134.407
Base-Backbone interact. energy: 4.959
local terms energy: -293.716063
where:
bonds (distance) C4'-P energy: -73.606
bonds (distance) P-C4' energy: -76.467
flat angles C4'-P-C4' energy: -82.819
flat angles P-C4'-P energy: -55.647
tors. eta vs tors. theta energy: -5.176
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 351
Temperature: 1.250000
Total energy: -432.417494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -432.417494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -432.417494 (E_RNA)
where:
Base-Base interactions energy: -145.107
where: short stacking energy: -125.522
Base-Backbone interact. energy: -0.176
local terms energy: -287.133673
where:
bonds (distance) C4'-P energy: -87.981
bonds (distance) P-C4' energy: -77.867
flat angles C4'-P-C4' energy: -80.256
flat angles P-C4'-P energy: -40.949
tors. eta vs tors. theta energy: -0.081
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 351
Temperature: 1.300000
Total energy: -384.373045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -384.373045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -384.373045 (E_RNA)
where:
Base-Base interactions energy: -119.950
where: short stacking energy: -111.134
Base-Backbone interact. energy: 0.702
local terms energy: -265.125357
where:
bonds (distance) C4'-P energy: -74.425
bonds (distance) P-C4' energy: -81.725
flat angles C4'-P-C4' energy: -75.309
flat angles P-C4'-P energy: -34.317
tors. eta vs tors. theta energy: 0.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 351
Temperature: 1.350000
Total energy: -343.929230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.929230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.929230 (E_RNA)
where:
Base-Base interactions energy: -105.091
where: short stacking energy: -99.863
Base-Backbone interact. energy: 0.515
local terms energy: -239.353065
where:
bonds (distance) C4'-P energy: -74.698
bonds (distance) P-C4' energy: -77.663
flat angles C4'-P-C4' energy: -66.005
flat angles P-C4'-P energy: -34.730
tors. eta vs tors. theta energy: 13.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 352
Temperature: 0.900000
Total energy: -1292.002202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1292.002202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1292.002202 (E_RNA)
where:
Base-Base interactions energy: -800.801
where: short stacking energy: -442.970
Base-Backbone interact. energy: -0.590
local terms energy: -490.611062
where:
bonds (distance) C4'-P energy: -82.770
bonds (distance) P-C4' energy: -95.623
flat angles C4'-P-C4' energy: -108.711
flat angles P-C4'-P energy: -64.688
tors. eta vs tors. theta energy: -138.819
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: 2, replica: 4
=====================================
Write number: 352
Temperature: 0.950000
Total energy: -1210.856992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1210.856992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1210.856992 (E_RNA)
where:
Base-Base interactions energy: -731.723
where: short stacking energy: -442.265
Base-Backbone interact. energy: -1.550
local terms energy: -477.584440
where:
bonds (distance) C4'-P energy: -84.136
bonds (distance) P-C4' energy: -102.435
flat angles C4'-P-C4' energy: -99.102
flat angles P-C4'-P energy: -57.948
tors. eta vs tors. theta energy: -133.964
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 352
Temperature: 1.000000
Total energy: -950.206466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -950.206466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -950.206466 (E_RNA)
where:
Base-Base interactions energy: -525.095
where: short stacking energy: -341.327
Base-Backbone interact. energy: -1.905
local terms energy: -423.206095
where:
bonds (distance) C4'-P energy: -78.359
bonds (distance) P-C4' energy: -94.029
flat angles C4'-P-C4' energy: -92.419
flat angles P-C4'-P energy: -68.206
tors. eta vs tors. theta energy: -90.193
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 352
Temperature: 1.050000
Total energy: -826.282681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -826.282681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -826.282681 (E_RNA)
where:
Base-Base interactions energy: -446.275
where: short stacking energy: -252.588
Base-Backbone interact. energy: -2.146
local terms energy: -377.860955
where:
bonds (distance) C4'-P energy: -88.634
bonds (distance) P-C4' energy: -79.149
flat angles C4'-P-C4' energy: -89.049
flat angles P-C4'-P energy: -63.378
tors. eta vs tors. theta energy: -57.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 352
Temperature: 1.100000
Total energy: -633.033243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -633.033243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -633.033243 (E_RNA)
where:
Base-Base interactions energy: -263.513
where: short stacking energy: -207.671
Base-Backbone interact. energy: 0.024
local terms energy: -369.543422
where:
bonds (distance) C4'-P energy: -95.266
bonds (distance) P-C4' energy: -85.430
flat angles C4'-P-C4' energy: -87.130
flat angles P-C4'-P energy: -59.429
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: 6, replica: 5
=====================================
Write number: 352
Temperature: 1.150000
Total energy: -566.401431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -566.401431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -566.401431 (E_RNA)
where:
Base-Base interactions energy: -235.704
where: short stacking energy: -188.241
Base-Backbone interact. energy: 0.385
local terms energy: -331.082190
where:
bonds (distance) C4'-P energy: -70.836
bonds (distance) P-C4' energy: -95.799
flat angles C4'-P-C4' energy: -91.009
flat angles P-C4'-P energy: -49.665
tors. eta vs tors. theta energy: -23.773
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 352
Temperature: 1.200000
Total energy: -457.676576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -457.676576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -457.676576 (E_RNA)
where:
Base-Base interactions energy: -174.395
where: short stacking energy: -166.587
Base-Backbone interact. energy: -0.510
local terms energy: -282.772100
where:
bonds (distance) C4'-P energy: -75.370
bonds (distance) P-C4' energy: -70.361
flat angles C4'-P-C4' energy: -85.660
flat angles P-C4'-P energy: -41.454
tors. eta vs tors. theta energy: -9.927
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 352
Temperature: 1.250000
Total energy: -460.405091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -460.405091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -460.405091 (E_RNA)
where:
Base-Base interactions energy: -169.967
where: short stacking energy: -144.566
Base-Backbone interact. energy: -0.982
local terms energy: -289.455478
where:
bonds (distance) C4'-P energy: -69.132
bonds (distance) P-C4' energy: -83.729
flat angles C4'-P-C4' energy: -86.381
flat angles P-C4'-P energy: -42.080
tors. eta vs tors. theta energy: -8.134
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: 10
=====================================
Write number: 352
Temperature: 1.300000
Total energy: -381.100615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -381.100615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -381.100615 (E_RNA)
where:
Base-Base interactions energy: -128.158
where: short stacking energy: -115.312
Base-Backbone interact. energy: 0.904
local terms energy: -253.845936
where:
bonds (distance) C4'-P energy: -66.367
bonds (distance) P-C4' energy: -85.588
flat angles C4'-P-C4' energy: -76.299
flat angles P-C4'-P energy: -33.708
tors. eta vs tors. theta energy: 8.116
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: 10, replica: 8
=====================================
Write number: 352
Temperature: 1.350000
Total energy: -345.928226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.928226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.928226 (E_RNA)
where:
Base-Base interactions energy: -108.725
where: short stacking energy: -96.686
Base-Backbone interact. energy: 3.566
local terms energy: -240.769657
where:
bonds (distance) C4'-P energy: -66.764
bonds (distance) P-C4' energy: -73.428
flat angles C4'-P-C4' energy: -75.693
flat angles P-C4'-P energy: -39.056
tors. eta vs tors. theta energy: 14.171
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 353
Temperature: 0.900000
Total energy: -1272.132325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1272.132325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1272.132325 (E_RNA)
where:
Base-Base interactions energy: -785.511
where: short stacking energy: -434.923
Base-Backbone interact. energy: -1.521
local terms energy: -485.100849
where:
bonds (distance) C4'-P energy: -87.923
bonds (distance) P-C4' energy: -87.083
flat angles C4'-P-C4' energy: -108.093
flat angles P-C4'-P energy: -72.530
tors. eta vs tors. theta energy: -129.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 353
Temperature: 0.950000
Total energy: -1186.961882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1186.961882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1186.961882 (E_RNA)
where:
Base-Base interactions energy: -719.149
where: short stacking energy: -407.333
Base-Backbone interact. energy: -0.762
local terms energy: -467.050856
where:
bonds (distance) C4'-P energy: -88.132
bonds (distance) P-C4' energy: -90.064
flat angles C4'-P-C4' energy: -102.558
flat angles P-C4'-P energy: -63.789
tors. eta vs tors. theta energy: -122.507
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: 3, replica: 6
=====================================
Write number: 353
Temperature: 1.000000
Total energy: -930.690872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -930.690872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -930.690872 (E_RNA)
where:
Base-Base interactions energy: -496.301
where: short stacking energy: -302.481
Base-Backbone interact. energy: -1.299
local terms energy: -433.091443
where:
bonds (distance) C4'-P energy: -88.625
bonds (distance) P-C4' energy: -98.975
flat angles C4'-P-C4' energy: -97.174
flat angles P-C4'-P energy: -60.695
tors. eta vs tors. theta energy: -87.623
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: 7
=====================================
Write number: 353
Temperature: 1.050000
Total energy: -845.208941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -845.208941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -845.208941 (E_RNA)
where:
Base-Base interactions energy: -458.914
where: short stacking energy: -286.559
Base-Backbone interact. energy: -1.641
local terms energy: -384.653090
where:
bonds (distance) C4'-P energy: -80.177
bonds (distance) P-C4' energy: -91.196
flat angles C4'-P-C4' energy: -90.901
flat angles P-C4'-P energy: -58.252
tors. eta vs tors. theta energy: -64.127
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: 3
=====================================
Write number: 353
Temperature: 1.100000
Total energy: -598.804714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -598.804714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -598.804714 (E_RNA)
where:
Base-Base interactions energy: -243.997
where: short stacking energy: -201.034
Base-Backbone interact. energy: -1.688
local terms energy: -353.119725
where:
bonds (distance) C4'-P energy: -84.625
bonds (distance) P-C4' energy: -71.508
flat angles C4'-P-C4' energy: -96.053
flat angles P-C4'-P energy: -63.471
tors. eta vs tors. theta energy: -37.463
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 353
Temperature: 1.150000
Total energy: -552.769829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.769829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.769829 (E_RNA)
where:
Base-Base interactions energy: -215.422
where: short stacking energy: -168.468
Base-Backbone interact. energy: -0.000
local terms energy: -337.347945
where:
bonds (distance) C4'-P energy: -96.214
bonds (distance) P-C4' energy: -90.441
flat angles C4'-P-C4' energy: -69.792
flat angles P-C4'-P energy: -55.108
tors. eta vs tors. theta energy: -25.794
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 353
Temperature: 1.200000
Total energy: -460.099786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -460.099786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -460.099786 (E_RNA)
where:
Base-Base interactions energy: -177.732
where: short stacking energy: -153.643
Base-Backbone interact. energy: -1.315
local terms energy: -281.053662
where:
bonds (distance) C4'-P energy: -77.404
bonds (distance) P-C4' energy: -77.595
flat angles C4'-P-C4' energy: -73.696
flat angles P-C4'-P energy: -51.652
tors. eta vs tors. theta energy: -0.707
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 353
Temperature: 1.250000
Total energy: -444.028160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -444.028160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -444.028160 (E_RNA)
where:
Base-Base interactions energy: -159.940
where: short stacking energy: -140.434
Base-Backbone interact. energy: 4.852
local terms energy: -288.940576
where:
bonds (distance) C4'-P energy: -70.748
bonds (distance) P-C4' energy: -86.759
flat angles C4'-P-C4' energy: -74.122
flat angles P-C4'-P energy: -46.819
tors. eta vs tors. theta energy: -10.493
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: 2
=====================================
Write number: 353
Temperature: 1.300000
Total energy: -401.123766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -401.123766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -401.123766 (E_RNA)
where:
Base-Base interactions energy: -136.058
where: short stacking energy: -106.154
Base-Backbone interact. energy: -1.597
local terms energy: -263.468207
where:
bonds (distance) C4'-P energy: -69.241
bonds (distance) P-C4' energy: -79.817
flat angles C4'-P-C4' energy: -67.402
flat angles P-C4'-P energy: -57.005
tors. eta vs tors. theta energy: 9.997
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: 8
=====================================
Write number: 353
Temperature: 1.350000
Total energy: -366.163825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.163825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.163825 (E_RNA)
where:
Base-Base interactions energy: -106.659
where: short stacking energy: -105.487
Base-Backbone interact. energy: 0.677
local terms energy: -260.181884
where:
bonds (distance) C4'-P energy: -95.172
bonds (distance) P-C4' energy: -75.085
flat angles C4'-P-C4' energy: -78.066
flat angles P-C4'-P energy: -24.527
tors. eta vs tors. theta energy: 12.668
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: 1
=====================================
Write number: 354
Temperature: 0.900000
Total energy: -1268.435929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1268.435929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1268.435929 (E_RNA)
where:
Base-Base interactions energy: -764.670
where: short stacking energy: -437.892
Base-Backbone interact. energy: 2.930
local terms energy: -506.696162
where:
bonds (distance) C4'-P energy: -89.773
bonds (distance) P-C4' energy: -97.862
flat angles C4'-P-C4' energy: -106.583
flat angles P-C4'-P energy: -80.327
tors. eta vs tors. theta energy: -132.151
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 354
Temperature: 0.950000
Total energy: -1179.362191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1179.362191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1179.362191 (E_RNA)
where:
Base-Base interactions energy: -693.979
where: short stacking energy: -399.258
Base-Backbone interact. energy: -0.260
local terms energy: -485.123603
where:
bonds (distance) C4'-P energy: -88.727
bonds (distance) P-C4' energy: -99.629
flat angles C4'-P-C4' energy: -94.383
flat angles P-C4'-P energy: -62.627
tors. eta vs tors. theta energy: -139.759
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: 6
=====================================
Write number: 354
Temperature: 1.000000
Total energy: -854.160880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -854.160880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -854.160880 (E_RNA)
where:
Base-Base interactions energy: -468.109
where: short stacking energy: -304.125
Base-Backbone interact. energy: 0.467
local terms energy: -386.519580
where:
bonds (distance) C4'-P energy: -82.596
bonds (distance) P-C4' energy: -85.576
flat angles C4'-P-C4' energy: -92.840
flat angles P-C4'-P energy: -52.566
tors. eta vs tors. theta energy: -72.942
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 354
Temperature: 1.050000
Total energy: -768.766574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -768.766574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -768.766574 (E_RNA)
where:
Base-Base interactions energy: -402.473
where: short stacking energy: -231.632
Base-Backbone interact. energy: -1.056
local terms energy: -365.237719
where:
bonds (distance) C4'-P energy: -89.259
bonds (distance) P-C4' energy: -83.613
flat angles C4'-P-C4' energy: -92.313
flat angles P-C4'-P energy: -49.598
tors. eta vs tors. theta energy: -50.455
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 354
Temperature: 1.100000
Total energy: -613.155491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -613.155491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -613.155491 (E_RNA)
where:
Base-Base interactions energy: -267.666
where: short stacking energy: -206.949
Base-Backbone interact. energy: -1.728
local terms energy: -343.760972
where:
bonds (distance) C4'-P energy: -88.443
bonds (distance) P-C4' energy: -92.139
flat angles C4'-P-C4' energy: -80.879
flat angles P-C4'-P energy: -53.903
tors. eta vs tors. theta energy: -28.397
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 354
Temperature: 1.150000
Total energy: -555.015206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -555.015206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -555.015206 (E_RNA)
where:
Base-Base interactions energy: -262.198
where: short stacking energy: -178.630
Base-Backbone interact. energy: -2.295
local terms energy: -290.522299
where:
bonds (distance) C4'-P energy: -73.834
bonds (distance) P-C4' energy: -83.425
flat angles C4'-P-C4' energy: -75.267
flat angles P-C4'-P energy: -48.419
tors. eta vs tors. theta energy: -9.577
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: 354
Temperature: 1.200000
Total energy: -459.796591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -459.796591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -459.796591 (E_RNA)
where:
Base-Base interactions energy: -144.430
where: short stacking energy: -128.161
Base-Backbone interact. energy: -0.834
local terms energy: -314.532326
where:
bonds (distance) C4'-P energy: -78.409
bonds (distance) P-C4' energy: -96.416
flat angles C4'-P-C4' energy: -91.919
flat angles P-C4'-P energy: -39.536
tors. eta vs tors. theta energy: -8.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 354
Temperature: 1.250000
Total energy: -442.851463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -442.851463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -442.851463 (E_RNA)
where:
Base-Base interactions energy: -190.438
where: short stacking energy: -138.227
Base-Backbone interact. energy: 1.097
local terms energy: -253.511030
where:
bonds (distance) C4'-P energy: -80.814
bonds (distance) P-C4' energy: -77.942
flat angles C4'-P-C4' energy: -72.299
flat angles P-C4'-P energy: -35.085
tors. eta vs tors. theta energy: 12.628
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 354
Temperature: 1.300000
Total energy: -387.332446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -387.332446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -387.332446 (E_RNA)
where:
Base-Base interactions energy: -147.296
where: short stacking energy: -117.101
Base-Backbone interact. energy: 2.772
local terms energy: -242.808569
where:
bonds (distance) C4'-P energy: -73.340
bonds (distance) P-C4' energy: -76.721
flat angles C4'-P-C4' energy: -57.575
flat angles P-C4'-P energy: -39.979
tors. eta vs tors. theta energy: 4.807
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 354
Temperature: 1.350000
Total energy: -371.777508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.777508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.777508 (E_RNA)
where:
Base-Base interactions energy: -91.666
where: short stacking energy: -83.857
Base-Backbone interact. energy: -1.246
local terms energy: -278.865204
where:
bonds (distance) C4'-P energy: -83.839
bonds (distance) P-C4' energy: -86.365
flat angles C4'-P-C4' energy: -61.700
flat angles P-C4'-P energy: -47.924
tors. eta vs tors. theta energy: 0.963
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 355
Temperature: 0.900000
Total energy: -1289.233639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1289.233639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1289.233639 (E_RNA)
where:
Base-Base interactions energy: -769.237
where: short stacking energy: -453.593
Base-Backbone interact. energy: -0.698
local terms energy: -519.299199
where:
bonds (distance) C4'-P energy: -90.880
bonds (distance) P-C4' energy: -97.592
flat angles C4'-P-C4' energy: -105.799
flat angles P-C4'-P energy: -77.990
tors. eta vs tors. theta energy: -147.038
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 355
Temperature: 0.950000
Total energy: -1216.235814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1216.235814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1216.235814 (E_RNA)
where:
Base-Base interactions energy: -722.535
where: short stacking energy: -447.540
Base-Backbone interact. energy: -0.416
local terms energy: -493.284310
where:
bonds (distance) C4'-P energy: -89.054
bonds (distance) P-C4' energy: -99.444
flat angles C4'-P-C4' energy: -99.709
flat angles P-C4'-P energy: -62.035
tors. eta vs tors. theta energy: -143.042
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: 6
=====================================
Write number: 355
Temperature: 1.000000
Total energy: -856.631936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -856.631936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -856.631936 (E_RNA)
where:
Base-Base interactions energy: -461.240
where: short stacking energy: -300.204
Base-Backbone interact. energy: 1.542
local terms energy: -396.933676
where:
bonds (distance) C4'-P energy: -89.647
bonds (distance) P-C4' energy: -91.242
flat angles C4'-P-C4' energy: -81.125
flat angles P-C4'-P energy: -65.673
tors. eta vs tors. theta energy: -69.246
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 355
Temperature: 1.050000
Total energy: -772.256750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -772.256750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -772.256750 (E_RNA)
where:
Base-Base interactions energy: -404.271
where: short stacking energy: -274.965
Base-Backbone interact. energy: -3.567
local terms energy: -364.418787
where:
bonds (distance) C4'-P energy: -77.197
bonds (distance) P-C4' energy: -94.396
flat angles C4'-P-C4' energy: -79.034
flat angles P-C4'-P energy: -57.030
tors. eta vs tors. theta energy: -56.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 355
Temperature: 1.100000
Total energy: -645.099323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -645.099323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -645.099323 (E_RNA)
where:
Base-Base interactions energy: -289.449
where: short stacking energy: -216.678
Base-Backbone interact. energy: -1.214
local terms energy: -354.435865
where:
bonds (distance) C4'-P energy: -85.739
bonds (distance) P-C4' energy: -88.343
flat angles C4'-P-C4' energy: -83.393
flat angles P-C4'-P energy: -57.890
tors. eta vs tors. theta energy: -39.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 355
Temperature: 1.150000
Total energy: -529.540458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.540458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.540458 (E_RNA)
where:
Base-Base interactions energy: -228.705
where: short stacking energy: -160.606
Base-Backbone interact. energy: -0.224
local terms energy: -300.611407
where:
bonds (distance) C4'-P energy: -69.591
bonds (distance) P-C4' energy: -79.015
flat angles C4'-P-C4' energy: -86.913
flat angles P-C4'-P energy: -49.350
tors. eta vs tors. theta energy: -15.743
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: 7, replica: 3
=====================================
Write number: 355
Temperature: 1.200000
Total energy: -498.524594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.524594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.524594 (E_RNA)
where:
Base-Base interactions energy: -191.628
where: short stacking energy: -150.372
Base-Backbone interact. energy: -0.452
local terms energy: -306.444808
where:
bonds (distance) C4'-P energy: -72.452
bonds (distance) P-C4' energy: -89.192
flat angles C4'-P-C4' energy: -84.046
flat angles P-C4'-P energy: -42.160
tors. eta vs tors. theta energy: -18.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 355
Temperature: 1.250000
Total energy: -424.579447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -424.579447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -424.579447 (E_RNA)
where:
Base-Base interactions energy: -131.631
where: short stacking energy: -114.247
Base-Backbone interact. energy: 1.656
local terms energy: -294.604290
where:
bonds (distance) C4'-P energy: -87.840
bonds (distance) P-C4' energy: -91.515
flat angles C4'-P-C4' energy: -67.228
flat angles P-C4'-P energy: -50.062
tors. eta vs tors. theta energy: 2.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 355
Temperature: 1.300000
Total energy: -392.078990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.078990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -392.078990 (E_RNA)
where:
Base-Base interactions energy: -145.346
where: short stacking energy: -127.914
Base-Backbone interact. energy: 0.518
local terms energy: -247.250558
where:
bonds (distance) C4'-P energy: -67.438
bonds (distance) P-C4' energy: -79.672
flat angles C4'-P-C4' energy: -69.083
flat angles P-C4'-P energy: -31.591
tors. eta vs tors. theta energy: 0.533
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: 10, replica: 8
=====================================
Write number: 355
Temperature: 1.350000
Total energy: -351.801727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.801727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.801727 (E_RNA)
where:
Base-Base interactions energy: -95.722
where: short stacking energy: -87.298
Base-Backbone interact. energy: 1.341
local terms energy: -257.420528
where:
bonds (distance) C4'-P energy: -81.381
bonds (distance) P-C4' energy: -85.449
flat angles C4'-P-C4' energy: -75.184
flat angles P-C4'-P energy: -35.770
tors. eta vs tors. theta energy: 20.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 356
Temperature: 0.900000
Total energy: -1313.445418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1313.445418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1313.445418 (E_RNA)
where:
Base-Base interactions energy: -804.038
where: short stacking energy: -459.362
Base-Backbone interact. energy: -0.183
local terms energy: -509.224158
where:
bonds (distance) C4'-P energy: -90.302
bonds (distance) P-C4' energy: -97.394
flat angles C4'-P-C4' energy: -109.301
flat angles P-C4'-P energy: -72.969
tors. eta vs tors. theta energy: -139.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 356
Temperature: 0.950000
Total energy: -1230.041175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1230.041175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1230.041175 (E_RNA)
where:
Base-Base interactions energy: -740.523
where: short stacking energy: -447.469
Base-Backbone interact. energy: -1.141
local terms energy: -488.377404
where:
bonds (distance) C4'-P energy: -80.164
bonds (distance) P-C4' energy: -89.474
flat angles C4'-P-C4' energy: -110.013
flat angles P-C4'-P energy: -66.036
tors. eta vs tors. theta energy: -142.690
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 356
Temperature: 1.000000
Total energy: -891.519106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -891.519106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -891.519106 (E_RNA)
where:
Base-Base interactions energy: -500.003
where: short stacking energy: -321.577
Base-Backbone interact. energy: -0.700
local terms energy: -390.815745
where:
bonds (distance) C4'-P energy: -76.992
bonds (distance) P-C4' energy: -90.092
flat angles C4'-P-C4' energy: -93.231
flat angles P-C4'-P energy: -49.439
tors. eta vs tors. theta energy: -81.061
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: 4, replica: 7
=====================================
Write number: 356
Temperature: 1.050000
Total energy: -757.104577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -757.104577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -757.104577 (E_RNA)
where:
Base-Base interactions energy: -387.619
where: short stacking energy: -262.557
Base-Backbone interact. energy: 0.546
local terms energy: -370.032179
where:
bonds (distance) C4'-P energy: -88.927
bonds (distance) P-C4' energy: -82.301
flat angles C4'-P-C4' energy: -89.911
flat angles P-C4'-P energy: -60.738
tors. eta vs tors. theta energy: -48.156
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: 5, replica: 5
=====================================
Write number: 356
Temperature: 1.100000
Total energy: -612.770590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -612.770590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -612.770590 (E_RNA)
where:
Base-Base interactions energy: -257.488
where: short stacking energy: -205.723
Base-Backbone interact. energy: 0.304
local terms energy: -355.586249
where:
bonds (distance) C4'-P energy: -93.265
bonds (distance) P-C4' energy: -88.539
flat angles C4'-P-C4' energy: -76.832
flat angles P-C4'-P energy: -56.551
tors. eta vs tors. theta energy: -40.400
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: 10
=====================================
Write number: 356
Temperature: 1.150000
Total energy: -544.925966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.925966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.925966 (E_RNA)
where:
Base-Base interactions energy: -219.991
where: short stacking energy: -174.283
Base-Backbone interact. energy: 1.872
local terms energy: -326.806401
where:
bonds (distance) C4'-P energy: -71.917
bonds (distance) P-C4' energy: -99.009
flat angles C4'-P-C4' energy: -81.370
flat angles P-C4'-P energy: -46.918
tors. eta vs tors. theta energy: -27.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 356
Temperature: 1.200000
Total energy: -496.306758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.306758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.306758 (E_RNA)
where:
Base-Base interactions energy: -202.742
where: short stacking energy: -149.021
Base-Backbone interact. energy: 0.176
local terms energy: -293.741402
where:
bonds (distance) C4'-P energy: -71.770
bonds (distance) P-C4' energy: -71.166
flat angles C4'-P-C4' energy: -75.353
flat angles P-C4'-P energy: -59.456
tors. eta vs tors. theta energy: -15.996
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: 2
=====================================
Write number: 356
Temperature: 1.250000
Total energy: -413.419835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.419835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -413.419835 (E_RNA)
where:
Base-Base interactions energy: -132.492
where: short stacking energy: -119.970
Base-Backbone interact. energy: -0.747
local terms energy: -280.181201
where:
bonds (distance) C4'-P energy: -89.538
bonds (distance) P-C4' energy: -79.215
flat angles C4'-P-C4' energy: -75.758
flat angles P-C4'-P energy: -43.704
tors. eta vs tors. theta energy: 8.033
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: 356
Temperature: 1.300000
Total energy: -369.390064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.390064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.390064 (E_RNA)
where:
Base-Base interactions energy: -114.833
where: short stacking energy: -103.036
Base-Backbone interact. energy: -1.778
local terms energy: -252.778537
where:
bonds (distance) C4'-P energy: -69.138
bonds (distance) P-C4' energy: -88.403
flat angles C4'-P-C4' energy: -69.454
flat angles P-C4'-P energy: -20.011
tors. eta vs tors. theta energy: -5.772
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: 356
Temperature: 1.350000
Total energy: -381.291176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -381.291176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -381.291176 (E_RNA)
where:
Base-Base interactions energy: -143.005
where: short stacking energy: -98.201
Base-Backbone interact. energy: 1.912
local terms energy: -240.198537
where:
bonds (distance) C4'-P energy: -70.649
bonds (distance) P-C4' energy: -76.201
flat angles C4'-P-C4' energy: -80.164
flat angles P-C4'-P energy: -29.742
tors. eta vs tors. theta energy: 16.558
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: 1
=====================================
Write number: 357
Temperature: 0.900000
Total energy: -1291.571507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1291.571507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1291.571507 (E_RNA)
where:
Base-Base interactions energy: -789.199
where: short stacking energy: -433.587
Base-Backbone interact. energy: 0.157
local terms energy: -502.529683
where:
bonds (distance) C4'-P energy: -99.038
bonds (distance) P-C4' energy: -89.041
flat angles C4'-P-C4' energy: -110.498
flat angles P-C4'-P energy: -79.558
tors. eta vs tors. theta energy: -124.395
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 357
Temperature: 0.950000
Total energy: -1203.420098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1203.420098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1203.420098 (E_RNA)
where:
Base-Base interactions energy: -711.493
where: short stacking energy: -420.377
Base-Backbone interact. energy: -1.185
local terms energy: -490.742435
where:
bonds (distance) C4'-P energy: -78.256
bonds (distance) P-C4' energy: -106.229
flat angles C4'-P-C4' energy: -107.481
flat angles P-C4'-P energy: -66.342
tors. eta vs tors. theta energy: -132.434
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: 6
=====================================
Write number: 357
Temperature: 1.000000
Total energy: -838.341687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -838.341687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -838.341687 (E_RNA)
where:
Base-Base interactions energy: -448.861
where: short stacking energy: -306.986
Base-Backbone interact. energy: -0.895
local terms energy: -388.585860
where:
bonds (distance) C4'-P energy: -77.585
bonds (distance) P-C4' energy: -79.488
flat angles C4'-P-C4' energy: -96.787
flat angles P-C4'-P energy: -55.950
tors. eta vs tors. theta energy: -78.775
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: 7
=====================================
Write number: 357
Temperature: 1.050000
Total energy: -793.349709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -793.349709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -793.349709 (E_RNA)
where:
Base-Base interactions energy: -410.641
where: short stacking energy: -286.367
Base-Backbone interact. energy: 0.606
local terms energy: -383.315653
where:
bonds (distance) C4'-P energy: -85.451
bonds (distance) P-C4' energy: -89.449
flat angles C4'-P-C4' energy: -92.477
flat angles P-C4'-P energy: -43.419
tors. eta vs tors. theta energy: -72.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 357
Temperature: 1.100000
Total energy: -608.619146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -608.619146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -608.619146 (E_RNA)
where:
Base-Base interactions energy: -301.910
where: short stacking energy: -240.508
Base-Backbone interact. energy: 3.089
local terms energy: -309.797804
where:
bonds (distance) C4'-P energy: -65.768
bonds (distance) P-C4' energy: -92.690
flat angles C4'-P-C4' energy: -70.751
flat angles P-C4'-P energy: -43.037
tors. eta vs tors. theta energy: -37.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 357
Temperature: 1.150000
Total energy: -532.534284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.534284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.534284 (E_RNA)
where:
Base-Base interactions energy: -200.476
where: short stacking energy: -165.200
Base-Backbone interact. energy: -2.508
local terms energy: -329.550376
where:
bonds (distance) C4'-P energy: -73.539
bonds (distance) P-C4' energy: -70.209
flat angles C4'-P-C4' energy: -101.617
flat angles P-C4'-P energy: -65.001
tors. eta vs tors. theta energy: -19.185
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: 7, replica: 3
=====================================
Write number: 357
Temperature: 1.200000
Total energy: -501.338435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.338435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.338435 (E_RNA)
where:
Base-Base interactions energy: -206.080
where: short stacking energy: -163.907
Base-Backbone interact. energy: 0.011
local terms energy: -295.269507
where:
bonds (distance) C4'-P energy: -71.427
bonds (distance) P-C4' energy: -83.693
flat angles C4'-P-C4' energy: -81.907
flat angles P-C4'-P energy: -56.018
tors. eta vs tors. theta energy: -2.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 357
Temperature: 1.250000
Total energy: -423.223974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -423.223974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -423.223974 (E_RNA)
where:
Base-Base interactions energy: -123.028
where: short stacking energy: -118.763
Base-Backbone interact. energy: -0.935
local terms energy: -299.261108
where:
bonds (distance) C4'-P energy: -90.284
bonds (distance) P-C4' energy: -85.572
flat angles C4'-P-C4' energy: -71.190
flat angles P-C4'-P energy: -41.809
tors. eta vs tors. theta energy: -10.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 357
Temperature: 1.300000
Total energy: -384.867329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -384.867329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -384.867329 (E_RNA)
where:
Base-Base interactions energy: -121.375
where: short stacking energy: -116.043
Base-Backbone interact. energy: 3.701
local terms energy: -267.193763
where:
bonds (distance) C4'-P energy: -69.446
bonds (distance) P-C4' energy: -86.877
flat angles C4'-P-C4' energy: -75.885
flat angles P-C4'-P energy: -47.006
tors. eta vs tors. theta energy: 12.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 357
Temperature: 1.350000
Total energy: -370.529318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.529318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.529318 (E_RNA)
where:
Base-Base interactions energy: -115.900
where: short stacking energy: -96.081
Base-Backbone interact. energy: -1.534
local terms energy: -253.094565
where:
bonds (distance) C4'-P energy: -81.028
bonds (distance) P-C4' energy: -76.103
flat angles C4'-P-C4' energy: -60.412
flat angles P-C4'-P energy: -52.597
tors. eta vs tors. theta energy: 17.045
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 358
Temperature: 0.900000
Total energy: -1276.714775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1276.714775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1276.714775 (E_RNA)
where:
Base-Base interactions energy: -779.214
where: short stacking energy: -442.317
Base-Backbone interact. energy: 1.647
local terms energy: -499.148316
where:
bonds (distance) C4'-P energy: -95.156
bonds (distance) P-C4' energy: -94.683
flat angles C4'-P-C4' energy: -107.801
flat angles P-C4'-P energy: -72.847
tors. eta vs tors. theta energy: -128.662
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: 4
=====================================
Write number: 358
Temperature: 0.950000
Total energy: -1150.890903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1150.890903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1150.890903 (E_RNA)
where:
Base-Base interactions energy: -678.031
where: short stacking energy: -388.214
Base-Backbone interact. energy: -1.448
local terms energy: -471.412004
where:
bonds (distance) C4'-P energy: -86.605
bonds (distance) P-C4' energy: -97.505
flat angles C4'-P-C4' energy: -96.208
flat angles P-C4'-P energy: -71.443
tors. eta vs tors. theta energy: -119.652
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: 6
=====================================
Write number: 358
Temperature: 1.000000
Total energy: -862.300566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -862.300566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -862.300566 (E_RNA)
where:
Base-Base interactions energy: -451.359
where: short stacking energy: -316.264
Base-Backbone interact. energy: -0.754
local terms energy: -410.187636
where:
bonds (distance) C4'-P energy: -85.869
bonds (distance) P-C4' energy: -84.560
flat angles C4'-P-C4' energy: -93.344
flat angles P-C4'-P energy: -58.937
tors. eta vs tors. theta energy: -87.478
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 358
Temperature: 1.050000
Total energy: -805.315371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -805.315371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -805.315371 (E_RNA)
where:
Base-Base interactions energy: -403.813
where: short stacking energy: -261.015
Base-Backbone interact. energy: 3.029
local terms energy: -404.531247
where:
bonds (distance) C4'-P energy: -89.269
bonds (distance) P-C4' energy: -87.909
flat angles C4'-P-C4' energy: -98.266
flat angles P-C4'-P energy: -59.853
tors. eta vs tors. theta energy: -69.234
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 358
Temperature: 1.100000
Total energy: -609.084074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -609.084074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -609.084074 (E_RNA)
where:
Base-Base interactions energy: -283.659
where: short stacking energy: -237.190
Base-Backbone interact. energy: 3.252
local terms energy: -328.677854
where:
bonds (distance) C4'-P energy: -95.045
bonds (distance) P-C4' energy: -67.153
flat angles C4'-P-C4' energy: -74.354
flat angles P-C4'-P energy: -45.453
tors. eta vs tors. theta energy: -46.673
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: 10
=====================================
Write number: 358
Temperature: 1.150000
Total energy: -491.775782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.775782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.775782 (E_RNA)
where:
Base-Base interactions energy: -173.043
where: short stacking energy: -157.718
Base-Backbone interact. energy: -0.535
local terms energy: -318.197360
where:
bonds (distance) C4'-P energy: -84.817
bonds (distance) P-C4' energy: -93.663
flat angles C4'-P-C4' energy: -70.622
flat angles P-C4'-P energy: -52.332
tors. eta vs tors. theta energy: -16.763
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: 7, replica: 3
=====================================
Write number: 358
Temperature: 1.200000
Total energy: -520.258902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.258902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.258902 (E_RNA)
where:
Base-Base interactions energy: -215.724
where: short stacking energy: -169.137
Base-Backbone interact. energy: 4.418
local terms energy: -308.953490
where:
bonds (distance) C4'-P energy: -75.630
bonds (distance) P-C4' energy: -84.200
flat angles C4'-P-C4' energy: -69.039
flat angles P-C4'-P energy: -57.941
tors. eta vs tors. theta energy: -22.144
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: 8, replica: 9
=====================================
Write number: 358
Temperature: 1.250000
Total energy: -424.915598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -424.915598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -424.915598 (E_RNA)
where:
Base-Base interactions energy: -168.284
where: short stacking energy: -142.501
Base-Backbone interact. energy: -0.246
local terms energy: -256.384893
where:
bonds (distance) C4'-P energy: -65.424
bonds (distance) P-C4' energy: -80.562
flat angles C4'-P-C4' energy: -61.727
flat angles P-C4'-P energy: -39.198
tors. eta vs tors. theta energy: -9.475
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: 8
=====================================
Write number: 358
Temperature: 1.300000
Total energy: -448.587048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -448.587048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -448.587048 (E_RNA)
where:
Base-Base interactions energy: -179.520
where: short stacking energy: -140.785
Base-Backbone interact. energy: 0.885
local terms energy: -269.952363
where:
bonds (distance) C4'-P energy: -71.411
bonds (distance) P-C4' energy: -88.526
flat angles C4'-P-C4' energy: -53.584
flat angles P-C4'-P energy: -43.782
tors. eta vs tors. theta energy: -12.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 358
Temperature: 1.350000
Total energy: -339.204343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.204343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.204343 (E_RNA)
where:
Base-Base interactions energy: -110.883
where: short stacking energy: -91.870
Base-Backbone interact. energy: 0.690
local terms energy: -229.010912
where:
bonds (distance) C4'-P energy: -68.063
bonds (distance) P-C4' energy: -82.378
flat angles C4'-P-C4' energy: -64.285
flat angles P-C4'-P energy: -39.219
tors. eta vs tors. theta energy: 24.933
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: 1
=====================================
Write number: 359
Temperature: 0.900000
Total energy: -1287.885462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1287.885462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1287.885462 (E_RNA)
where:
Base-Base interactions energy: -778.702
where: short stacking energy: -443.589
Base-Backbone interact. energy: -1.807
local terms energy: -507.375786
where:
bonds (distance) C4'-P energy: -94.073
bonds (distance) P-C4' energy: -96.631
flat angles C4'-P-C4' energy: -106.193
flat angles P-C4'-P energy: -75.348
tors. eta vs tors. theta energy: -135.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 359
Temperature: 0.950000
Total energy: -1142.994852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1142.994852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1142.994852 (E_RNA)
where:
Base-Base interactions energy: -700.542
where: short stacking energy: -414.029
Base-Backbone interact. energy: -1.682
local terms energy: -440.771691
where:
bonds (distance) C4'-P energy: -77.585
bonds (distance) P-C4' energy: -84.644
flat angles C4'-P-C4' energy: -92.663
flat angles P-C4'-P energy: -70.179
tors. eta vs tors. theta energy: -115.702
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: 6
=====================================
Write number: 359
Temperature: 1.000000
Total energy: -869.334500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -869.334500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -869.334500 (E_RNA)
where:
Base-Base interactions energy: -462.448
where: short stacking energy: -316.797
Base-Backbone interact. energy: -0.833
local terms energy: -406.053332
where:
bonds (distance) C4'-P energy: -77.693
bonds (distance) P-C4' energy: -97.641
flat angles C4'-P-C4' energy: -89.352
flat angles P-C4'-P energy: -57.204
tors. eta vs tors. theta energy: -84.163
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 359
Temperature: 1.050000
Total energy: -782.743130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -782.743130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -782.743130 (E_RNA)
where:
Base-Base interactions energy: -396.210
where: short stacking energy: -257.299
Base-Backbone interact. energy: -0.971
local terms energy: -385.562028
where:
bonds (distance) C4'-P energy: -84.870
bonds (distance) P-C4' energy: -92.525
flat angles C4'-P-C4' energy: -88.369
flat angles P-C4'-P energy: -62.989
tors. eta vs tors. theta energy: -56.809
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 359
Temperature: 1.100000
Total energy: -547.027811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.027811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.027811 (E_RNA)
where:
Base-Base interactions energy: -223.033
where: short stacking energy: -168.793
Base-Backbone interact. energy: -1.197
local terms energy: -322.797648
where:
bonds (distance) C4'-P energy: -80.806
bonds (distance) P-C4' energy: -91.036
flat angles C4'-P-C4' energy: -84.298
flat angles P-C4'-P energy: -51.695
tors. eta vs tors. theta energy: -14.962
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 359
Temperature: 1.150000
Total energy: -598.733807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -598.733807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -598.733807 (E_RNA)
where:
Base-Base interactions energy: -267.299
where: short stacking energy: -179.073
Base-Backbone interact. energy: -1.222
local terms energy: -330.213330
where:
bonds (distance) C4'-P energy: -90.695
bonds (distance) P-C4' energy: -86.306
flat angles C4'-P-C4' energy: -71.950
flat angles P-C4'-P energy: -52.557
tors. eta vs tors. theta energy: -28.705
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 359
Temperature: 1.200000
Total energy: -431.838411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -431.838411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -431.838411 (E_RNA)
where:
Base-Base interactions energy: -150.316
where: short stacking energy: -144.340
Base-Backbone interact. energy: 5.610
local terms energy: -287.132390
where:
bonds (distance) C4'-P energy: -82.271
bonds (distance) P-C4' energy: -86.003
flat angles C4'-P-C4' energy: -68.016
flat angles P-C4'-P energy: -42.622
tors. eta vs tors. theta energy: -8.221
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 359
Temperature: 1.250000
Total energy: -423.138717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -423.138717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -423.138717 (E_RNA)
where:
Base-Base interactions energy: -130.956
where: short stacking energy: -126.349
Base-Backbone interact. energy: 5.933
local terms energy: -298.115600
where:
bonds (distance) C4'-P energy: -70.373
bonds (distance) P-C4' energy: -93.911
flat angles C4'-P-C4' energy: -69.586
flat angles P-C4'-P energy: -50.900
tors. eta vs tors. theta energy: -13.346
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 359
Temperature: 1.300000
Total energy: -374.939994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -374.939994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -374.939994 (E_RNA)
where:
Base-Base interactions energy: -104.522
where: short stacking energy: -103.324
Base-Backbone interact. energy: -0.194
local terms energy: -270.224144
where:
bonds (distance) C4'-P energy: -81.207
bonds (distance) P-C4' energy: -99.477
flat angles C4'-P-C4' energy: -63.538
flat angles P-C4'-P energy: -37.462
tors. eta vs tors. theta energy: 11.460
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 359
Temperature: 1.350000
Total energy: -338.007623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.007623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.007623 (E_RNA)
where:
Base-Base interactions energy: -113.511
where: short stacking energy: -106.435
Base-Backbone interact. energy: 0.921
local terms energy: -225.417786
where:
bonds (distance) C4'-P energy: -70.739
bonds (distance) P-C4' energy: -75.517
flat angles C4'-P-C4' energy: -69.009
flat angles P-C4'-P energy: -36.379
tors. eta vs tors. theta energy: 26.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 360
Temperature: 0.900000
Total energy: -1282.111633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1282.111633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1282.111633 (E_RNA)
where:
Base-Base interactions energy: -787.057
where: short stacking energy: -453.791
Base-Backbone interact. energy: -1.287
local terms energy: -493.767172
where:
bonds (distance) C4'-P energy: -93.575
bonds (distance) P-C4' energy: -84.729
flat angles C4'-P-C4' energy: -106.176
flat angles P-C4'-P energy: -74.951
tors. eta vs tors. theta energy: -134.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 360
Temperature: 0.950000
Total energy: -1148.074585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1148.074585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1148.074585 (E_RNA)
where:
Base-Base interactions energy: -687.261
where: short stacking energy: -395.843
Base-Backbone interact. energy: -0.799
local terms energy: -460.014327
where:
bonds (distance) C4'-P energy: -82.949
bonds (distance) P-C4' energy: -98.174
flat angles C4'-P-C4' energy: -105.997
flat angles P-C4'-P energy: -64.899
tors. eta vs tors. theta energy: -107.996
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: 7
=====================================
Write number: 360
Temperature: 1.000000
Total energy: -866.611153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -866.611153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -866.611153 (E_RNA)
where:
Base-Base interactions energy: -453.046
where: short stacking energy: -311.435
Base-Backbone interact. energy: 0.496
local terms energy: -414.061602
where:
bonds (distance) C4'-P energy: -95.387
bonds (distance) P-C4' energy: -87.456
flat angles C4'-P-C4' energy: -91.556
flat angles P-C4'-P energy: -51.921
tors. eta vs tors. theta energy: -87.742
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 360
Temperature: 1.050000
Total energy: -786.205517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -786.205517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -786.205517 (E_RNA)
where:
Base-Base interactions energy: -403.862
where: short stacking energy: -246.429
Base-Backbone interact. energy: 1.085
local terms energy: -383.428277
where:
bonds (distance) C4'-P energy: -96.989
bonds (distance) P-C4' energy: -80.708
flat angles C4'-P-C4' energy: -85.610
flat angles P-C4'-P energy: -54.677
tors. eta vs tors. theta energy: -65.444
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 360
Temperature: 1.100000
Total energy: -604.284505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -604.284505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -604.284505 (E_RNA)
where:
Base-Base interactions energy: -284.930
where: short stacking energy: -205.764
Base-Backbone interact. energy: 1.907
local terms energy: -321.261275
where:
bonds (distance) C4'-P energy: -72.318
bonds (distance) P-C4' energy: -92.736
flat angles C4'-P-C4' energy: -72.291
flat angles P-C4'-P energy: -49.682
tors. eta vs tors. theta energy: -34.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 360
Temperature: 1.150000
Total energy: -572.742002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -572.742002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -572.742002 (E_RNA)
where:
Base-Base interactions energy: -245.096
where: short stacking energy: -202.314
Base-Backbone interact. energy: 1.129
local terms energy: -328.775251
where:
bonds (distance) C4'-P energy: -81.442
bonds (distance) P-C4' energy: -80.720
flat angles C4'-P-C4' energy: -67.073
flat angles P-C4'-P energy: -54.782
tors. eta vs tors. theta energy: -44.758
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 360
Temperature: 1.200000
Total energy: -478.785208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.785208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -478.785208 (E_RNA)
where:
Base-Base interactions energy: -165.762
where: short stacking energy: -148.518
Base-Backbone interact. energy: 2.241
local terms energy: -315.264340
where:
bonds (distance) C4'-P energy: -83.705
bonds (distance) P-C4' energy: -96.348
flat angles C4'-P-C4' energy: -76.884
flat angles P-C4'-P energy: -56.160
tors. eta vs tors. theta energy: -2.167
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: 10
=====================================
Write number: 360
Temperature: 1.250000
Total energy: -465.376883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -465.376883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -465.376883 (E_RNA)
where:
Base-Base interactions energy: -204.655
where: short stacking energy: -153.553
Base-Backbone interact. energy: -0.824
local terms energy: -259.897977
where:
bonds (distance) C4'-P energy: -58.162
bonds (distance) P-C4' energy: -85.276
flat angles C4'-P-C4' energy: -67.436
flat angles P-C4'-P energy: -37.568
tors. eta vs tors. theta energy: -11.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 360
Temperature: 1.300000
Total energy: -376.553130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -376.553130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -376.553130 (E_RNA)
where:
Base-Base interactions energy: -115.586
where: short stacking energy: -99.966
Base-Backbone interact. energy: 4.050
local terms energy: -265.016885
where:
bonds (distance) C4'-P energy: -91.776
bonds (distance) P-C4' energy: -79.185
flat angles C4'-P-C4' energy: -50.839
flat angles P-C4'-P energy: -43.010
tors. eta vs tors. theta energy: -0.207
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 360
Temperature: 1.350000
Total energy: -345.228719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.228719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.228719 (E_RNA)
where:
Base-Base interactions energy: -119.843
where: short stacking energy: -117.060
Base-Backbone interact. energy: 5.304
local terms energy: -230.689556
where:
bonds (distance) C4'-P energy: -82.013
bonds (distance) P-C4' energy: -65.544
flat angles C4'-P-C4' energy: -59.474
flat angles P-C4'-P energy: -36.882
tors. eta vs tors. theta energy: 13.223
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 361
Temperature: 0.900000
Total energy: -1296.605130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1296.605130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1296.605130 (E_RNA)
where:
Base-Base interactions energy: -798.781
where: short stacking energy: -441.462
Base-Backbone interact. energy: -0.562
local terms energy: -497.262046
where:
bonds (distance) C4'-P energy: -85.035
bonds (distance) P-C4' energy: -100.373
flat angles C4'-P-C4' energy: -106.136
flat angles P-C4'-P energy: -64.304
tors. eta vs tors. theta energy: -141.414
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: 2, replica: 4
=====================================
Write number: 361
Temperature: 0.950000
Total energy: -1142.246371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1142.246371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1142.246371 (E_RNA)
where:
Base-Base interactions energy: -680.000
where: short stacking energy: -400.158
Base-Backbone interact. energy: -1.595
local terms energy: -460.651878
where:
bonds (distance) C4'-P energy: -85.494
bonds (distance) P-C4' energy: -91.353
flat angles C4'-P-C4' energy: -108.952
flat angles P-C4'-P energy: -55.680
tors. eta vs tors. theta energy: -119.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 361
Temperature: 1.000000
Total energy: -900.646347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -900.646347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -900.646347 (E_RNA)
where:
Base-Base interactions energy: -466.121
where: short stacking energy: -339.902
Base-Backbone interact. energy: -0.854
local terms energy: -433.671107
where:
bonds (distance) C4'-P energy: -83.836
bonds (distance) P-C4' energy: -97.920
flat angles C4'-P-C4' energy: -98.974
flat angles P-C4'-P energy: -64.142
tors. eta vs tors. theta energy: -88.799
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: 6
=====================================
Write number: 361
Temperature: 1.050000
Total energy: -827.582327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -827.582327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -827.582327 (E_RNA)
where:
Base-Base interactions energy: -421.751
where: short stacking energy: -289.430
Base-Backbone interact. energy: -0.693
local terms energy: -405.138341
where:
bonds (distance) C4'-P energy: -88.096
bonds (distance) P-C4' energy: -87.012
flat angles C4'-P-C4' energy: -96.105
flat angles P-C4'-P energy: -57.766
tors. eta vs tors. theta energy: -76.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 361
Temperature: 1.100000
Total energy: -604.104256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -604.104256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -604.104256 (E_RNA)
where:
Base-Base interactions energy: -268.793
where: short stacking energy: -203.426
Base-Backbone interact. energy: 0.865
local terms energy: -336.176420
where:
bonds (distance) C4'-P energy: -79.554
bonds (distance) P-C4' energy: -95.750
flat angles C4'-P-C4' energy: -79.920
flat angles P-C4'-P energy: -53.913
tors. eta vs tors. theta energy: -27.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 361
Temperature: 1.150000
Total energy: -531.501600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.501600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.501600 (E_RNA)
where:
Base-Base interactions energy: -239.089
where: short stacking energy: -184.398
Base-Backbone interact. energy: 0.848
local terms energy: -293.260668
where:
bonds (distance) C4'-P energy: -78.963
bonds (distance) P-C4' energy: -82.773
flat angles C4'-P-C4' energy: -70.877
flat angles P-C4'-P energy: -50.209
tors. eta vs tors. theta energy: -10.439
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 361
Temperature: 1.200000
Total energy: -512.623881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.623881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.623881 (E_RNA)
where:
Base-Base interactions energy: -192.556
where: short stacking energy: -156.141
Base-Backbone interact. energy: -1.196
local terms energy: -318.872245
where:
bonds (distance) C4'-P energy: -97.553
bonds (distance) P-C4' energy: -78.922
flat angles C4'-P-C4' energy: -87.936
flat angles P-C4'-P energy: -46.703
tors. eta vs tors. theta energy: -7.757
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: 10
=====================================
Write number: 361
Temperature: 1.250000
Total energy: -394.624611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -394.624611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -394.624611 (E_RNA)
where:
Base-Base interactions energy: -136.353
where: short stacking energy: -117.885
Base-Backbone interact. energy: -2.612
local terms energy: -255.658955
where:
bonds (distance) C4'-P energy: -71.895
bonds (distance) P-C4' energy: -81.699
flat angles C4'-P-C4' energy: -56.797
flat angles P-C4'-P energy: -44.878
tors. eta vs tors. theta energy: -0.390
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 361
Temperature: 1.300000
Total energy: -372.160449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -372.160449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -372.160449 (E_RNA)
where:
Base-Base interactions energy: -127.805
where: short stacking energy: -116.997
Base-Backbone interact. energy: 2.188
local terms energy: -246.543576
where:
bonds (distance) C4'-P energy: -72.666
bonds (distance) P-C4' energy: -74.839
flat angles C4'-P-C4' energy: -71.802
flat angles P-C4'-P energy: -41.616
tors. eta vs tors. theta energy: 14.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 361
Temperature: 1.350000
Total energy: -352.427682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.427682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.427682 (E_RNA)
where:
Base-Base interactions energy: -91.653
where: short stacking energy: -86.007
Base-Backbone interact. energy: 2.367
local terms energy: -263.142014
where:
bonds (distance) C4'-P energy: -83.707
bonds (distance) P-C4' energy: -78.362
flat angles C4'-P-C4' energy: -71.097
flat angles P-C4'-P energy: -42.187
tors. eta vs tors. theta energy: 12.211
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 362
Temperature: 0.900000
Total energy: -1281.116614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1281.116614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1281.116614 (E_RNA)
where:
Base-Base interactions energy: -799.843
where: short stacking energy: -443.593
Base-Backbone interact. energy: 3.034
local terms energy: -484.307756
where:
bonds (distance) C4'-P energy: -85.010
bonds (distance) P-C4' energy: -92.425
flat angles C4'-P-C4' energy: -102.506
flat angles P-C4'-P energy: -67.490
tors. eta vs tors. theta energy: -136.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 362
Temperature: 0.950000
Total energy: -1148.224159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1148.224159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1148.224159 (E_RNA)
where:
Base-Base interactions energy: -693.220
where: short stacking energy: -398.907
Base-Backbone interact. energy: -2.895
local terms energy: -452.108355
where:
bonds (distance) C4'-P energy: -83.160
bonds (distance) P-C4' energy: -86.202
flat angles C4'-P-C4' energy: -97.531
flat angles P-C4'-P energy: -67.044
tors. eta vs tors. theta energy: -118.171
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: 7
=====================================
Write number: 362
Temperature: 1.000000
Total energy: -859.475379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -859.475379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -859.475379 (E_RNA)
where:
Base-Base interactions energy: -443.253
where: short stacking energy: -311.554
Base-Backbone interact. energy: -0.644
local terms energy: -415.578760
where:
bonds (distance) C4'-P energy: -83.684
bonds (distance) P-C4' energy: -92.473
flat angles C4'-P-C4' energy: -98.789
flat angles P-C4'-P energy: -64.236
tors. eta vs tors. theta energy: -76.397
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 362
Temperature: 1.050000
Total energy: -802.022658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -802.022658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -802.022658 (E_RNA)
where:
Base-Base interactions energy: -413.961
where: short stacking energy: -248.520
Base-Backbone interact. energy: 1.910
local terms energy: -389.971972
where:
bonds (distance) C4'-P energy: -85.537
bonds (distance) P-C4' energy: -100.023
flat angles C4'-P-C4' energy: -100.432
flat angles P-C4'-P energy: -48.368
tors. eta vs tors. theta energy: -55.612
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: 5, replica: 3
=====================================
Write number: 362
Temperature: 1.100000
Total energy: -597.273845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -597.273845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -597.273845 (E_RNA)
where:
Base-Base interactions energy: -264.551
where: short stacking energy: -198.717
Base-Backbone interact. energy: 2.628
local terms energy: -335.350526
where:
bonds (distance) C4'-P energy: -88.590
bonds (distance) P-C4' energy: -81.766
flat angles C4'-P-C4' energy: -62.125
flat angles P-C4'-P energy: -59.877
tors. eta vs tors. theta energy: -42.994
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 362
Temperature: 1.150000
Total energy: -533.606057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.606057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.606057 (E_RNA)
where:
Base-Base interactions energy: -223.408
where: short stacking energy: -174.631
Base-Backbone interact. energy: -1.406
local terms energy: -308.792166
where:
bonds (distance) C4'-P energy: -76.029
bonds (distance) P-C4' energy: -92.468
flat angles C4'-P-C4' energy: -75.769
flat angles P-C4'-P energy: -44.276
tors. eta vs tors. theta energy: -20.249
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: 362
Temperature: 1.200000
Total energy: -492.124042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.124042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.124042 (E_RNA)
where:
Base-Base interactions energy: -190.971
where: short stacking energy: -168.337
Base-Backbone interact. energy: -1.754
local terms energy: -299.399453
where:
bonds (distance) C4'-P energy: -79.889
bonds (distance) P-C4' energy: -88.996
flat angles C4'-P-C4' energy: -64.799
flat angles P-C4'-P energy: -45.649
tors. eta vs tors. theta energy: -20.067
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: 10
=====================================
Write number: 362
Temperature: 1.250000
Total energy: -403.875367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.875367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -403.875367 (E_RNA)
where:
Base-Base interactions energy: -138.403
where: short stacking energy: -122.953
Base-Backbone interact. energy: -0.819
local terms energy: -264.653363
where:
bonds (distance) C4'-P energy: -69.143
bonds (distance) P-C4' energy: -85.698
flat angles C4'-P-C4' energy: -63.951
flat angles P-C4'-P energy: -41.084
tors. eta vs tors. theta energy: -4.777
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: 362
Temperature: 1.300000
Total energy: -377.145427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -377.145427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -377.145427 (E_RNA)
where:
Base-Base interactions energy: -135.749
where: short stacking energy: -107.851
Base-Backbone interact. energy: -2.439
local terms energy: -238.957392
where:
bonds (distance) C4'-P energy: -70.147
bonds (distance) P-C4' energy: -77.336
flat angles C4'-P-C4' energy: -65.735
flat angles P-C4'-P energy: -37.029
tors. eta vs tors. theta energy: 11.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 362
Temperature: 1.350000
Total energy: -343.963967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.963967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.963967 (E_RNA)
where:
Base-Base interactions energy: -124.731
where: short stacking energy: -107.836
Base-Backbone interact. energy: 0.614
local terms energy: -219.847058
where:
bonds (distance) C4'-P energy: -60.300
bonds (distance) P-C4' energy: -73.405
flat angles C4'-P-C4' energy: -70.044
flat angles P-C4'-P energy: -23.670
tors. eta vs tors. theta energy: 7.571
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: 363
Temperature: 0.900000
Total energy: -1286.192088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1286.192088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1286.192088 (E_RNA)
where:
Base-Base interactions energy: -782.869
where: short stacking energy: -443.794
Base-Backbone interact. energy: -1.602
local terms energy: -501.721403
where:
bonds (distance) C4'-P energy: -88.730
bonds (distance) P-C4' energy: -105.086
flat angles C4'-P-C4' energy: -101.928
flat angles P-C4'-P energy: -69.557
tors. eta vs tors. theta energy: -136.420
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: 4
=====================================
Write number: 363
Temperature: 0.950000
Total energy: -1131.861567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1131.861567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1131.861567 (E_RNA)
where:
Base-Base interactions energy: -671.631
where: short stacking energy: -407.190
Base-Backbone interact. energy: -0.543
local terms energy: -459.688387
where:
bonds (distance) C4'-P energy: -90.657
bonds (distance) P-C4' energy: -84.627
flat angles C4'-P-C4' energy: -105.980
flat angles P-C4'-P energy: -57.005
tors. eta vs tors. theta energy: -121.418
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: 7
=====================================
Write number: 363
Temperature: 1.000000
Total energy: -837.929024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -837.929024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -837.929024 (E_RNA)
where:
Base-Base interactions energy: -413.629
where: short stacking energy: -308.934
Base-Backbone interact. energy: -2.087
local terms energy: -422.213345
where:
bonds (distance) C4'-P energy: -89.073
bonds (distance) P-C4' energy: -101.768
flat angles C4'-P-C4' energy: -90.761
flat angles P-C4'-P energy: -64.288
tors. eta vs tors. theta energy: -76.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 363
Temperature: 1.050000
Total energy: -756.448523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -756.448523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -756.448523 (E_RNA)
where:
Base-Base interactions energy: -401.450
where: short stacking energy: -258.834
Base-Backbone interact. energy: 0.655
local terms energy: -355.653447
where:
bonds (distance) C4'-P energy: -75.585
bonds (distance) P-C4' energy: -91.100
flat angles C4'-P-C4' energy: -89.497
flat angles P-C4'-P energy: -46.154
tors. eta vs tors. theta energy: -53.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 363
Temperature: 1.100000
Total energy: -654.850114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -654.850114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -654.850114 (E_RNA)
where:
Base-Base interactions energy: -322.393
where: short stacking energy: -220.526
Base-Backbone interact. energy: -1.665
local terms energy: -330.792254
where:
bonds (distance) C4'-P energy: -91.841
bonds (distance) P-C4' energy: -85.985
flat angles C4'-P-C4' energy: -87.967
flat angles P-C4'-P energy: -46.826
tors. eta vs tors. theta energy: -18.173
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: 6, replica: 9
=====================================
Write number: 363
Temperature: 1.150000
Total energy: -490.476463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.476463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.476463 (E_RNA)
where:
Base-Base interactions energy: -220.901
where: short stacking energy: -198.063
Base-Backbone interact. energy: 0.859
local terms energy: -270.434524
where:
bonds (distance) C4'-P energy: -76.880
bonds (distance) P-C4' energy: -76.169
flat angles C4'-P-C4' energy: -64.194
flat angles P-C4'-P energy: -36.152
tors. eta vs tors. theta energy: -17.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 363
Temperature: 1.200000
Total energy: -498.932892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.932892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.932892 (E_RNA)
where:
Base-Base interactions energy: -200.987
where: short stacking energy: -147.012
Base-Backbone interact. energy: 6.835
local terms energy: -304.780086
where:
bonds (distance) C4'-P energy: -79.165
bonds (distance) P-C4' energy: -88.938
flat angles C4'-P-C4' energy: -88.638
flat angles P-C4'-P energy: -40.888
tors. eta vs tors. theta energy: -7.151
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 363
Temperature: 1.250000
Total energy: -445.459080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -445.459080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -445.459080 (E_RNA)
where:
Base-Base interactions energy: -147.071
where: short stacking energy: -123.127
Base-Backbone interact. energy: -0.667
local terms energy: -297.722028
where:
bonds (distance) C4'-P energy: -87.157
bonds (distance) P-C4' energy: -86.001
flat angles C4'-P-C4' energy: -74.874
flat angles P-C4'-P energy: -44.763
tors. eta vs tors. theta energy: -4.928
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: 363
Temperature: 1.300000
Total energy: -378.258350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -378.258350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -378.258350 (E_RNA)
where:
Base-Base interactions energy: -122.069
where: short stacking energy: -110.361
Base-Backbone interact. energy: 2.410
local terms energy: -258.599041
where:
bonds (distance) C4'-P energy: -72.587
bonds (distance) P-C4' energy: -84.489
flat angles C4'-P-C4' energy: -73.663
flat angles P-C4'-P energy: -29.772
tors. eta vs tors. theta energy: 1.911
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: 8
=====================================
Write number: 363
Temperature: 1.350000
Total energy: -348.042003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.042003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.042003 (E_RNA)
where:
Base-Base interactions energy: -121.265
where: short stacking energy: -115.895
Base-Backbone interact. energy: 1.821
local terms energy: -228.598260
where:
bonds (distance) C4'-P energy: -82.750
bonds (distance) P-C4' energy: -81.987
flat angles C4'-P-C4' energy: -50.711
flat angles P-C4'-P energy: -16.204
tors. eta vs tors. theta energy: 3.054
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: 1
=====================================
Write number: 364
Temperature: 0.900000
Total energy: -1288.469836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1288.469836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1288.469836 (E_RNA)
where:
Base-Base interactions energy: -785.890
where: short stacking energy: -427.167
Base-Backbone interact. energy: -1.910
local terms energy: -500.670282
where:
bonds (distance) C4'-P energy: -88.647
bonds (distance) P-C4' energy: -93.488
flat angles C4'-P-C4' energy: -108.665
flat angles P-C4'-P energy: -69.236
tors. eta vs tors. theta energy: -140.634
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 364
Temperature: 0.950000
Total energy: -1117.944810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1117.944810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1117.944810 (E_RNA)
where:
Base-Base interactions energy: -650.686
where: short stacking energy: -413.044
Base-Backbone interact. energy: -1.240
local terms energy: -466.019507
where:
bonds (distance) C4'-P energy: -82.529
bonds (distance) P-C4' energy: -94.433
flat angles C4'-P-C4' energy: -102.508
flat angles P-C4'-P energy: -55.494
tors. eta vs tors. theta energy: -131.056
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: 7
=====================================
Write number: 364
Temperature: 1.000000
Total energy: -861.621836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -861.621836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -861.621836 (E_RNA)
where:
Base-Base interactions energy: -445.948
where: short stacking energy: -321.147
Base-Backbone interact. energy: -0.757
local terms energy: -414.916393
where:
bonds (distance) C4'-P energy: -89.970
bonds (distance) P-C4' energy: -78.418
flat angles C4'-P-C4' energy: -94.236
flat angles P-C4'-P energy: -63.551
tors. eta vs tors. theta energy: -88.741
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 364
Temperature: 1.050000
Total energy: -779.407126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -779.407126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -779.407126 (E_RNA)
where:
Base-Base interactions energy: -422.493
where: short stacking energy: -230.959
Base-Backbone interact. energy: -0.116
local terms energy: -356.797982
where:
bonds (distance) C4'-P energy: -91.008
bonds (distance) P-C4' energy: -86.951
flat angles C4'-P-C4' energy: -86.247
flat angles P-C4'-P energy: -45.227
tors. eta vs tors. theta energy: -47.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 364
Temperature: 1.100000
Total energy: -688.812358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -688.812358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -688.812358 (E_RNA)
where:
Base-Base interactions energy: -329.564
where: short stacking energy: -233.557
Base-Backbone interact. energy: -1.534
local terms energy: -357.714189
where:
bonds (distance) C4'-P energy: -76.900
bonds (distance) P-C4' energy: -97.556
flat angles C4'-P-C4' energy: -78.132
flat angles P-C4'-P energy: -55.620
tors. eta vs tors. theta energy: -49.506
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: 9
=====================================
Write number: 364
Temperature: 1.150000
Total energy: -481.369149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.369149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -481.369149 (E_RNA)
where:
Base-Base interactions energy: -174.769
where: short stacking energy: -159.538
Base-Backbone interact. energy: -0.755
local terms energy: -305.844899
where:
bonds (distance) C4'-P energy: -99.209
bonds (distance) P-C4' energy: -76.454
flat angles C4'-P-C4' energy: -70.197
flat angles P-C4'-P energy: -37.484
tors. eta vs tors. theta energy: -22.502
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 364
Temperature: 1.200000
Total energy: -532.065360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.065360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.065360 (E_RNA)
where:
Base-Base interactions energy: -225.548
where: short stacking energy: -194.314
Base-Backbone interact. energy: 4.996
local terms energy: -311.512701
where:
bonds (distance) C4'-P energy: -79.282
bonds (distance) P-C4' energy: -79.777
flat angles C4'-P-C4' energy: -81.697
flat angles P-C4'-P energy: -38.919
tors. eta vs tors. theta energy: -31.837
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 364
Temperature: 1.250000
Total energy: -425.479410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -425.479410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -425.479410 (E_RNA)
where:
Base-Base interactions energy: -137.390
where: short stacking energy: -118.702
Base-Backbone interact. energy: -0.423
local terms energy: -287.666289
where:
bonds (distance) C4'-P energy: -73.148
bonds (distance) P-C4' energy: -89.263
flat angles C4'-P-C4' energy: -76.784
flat angles P-C4'-P energy: -45.499
tors. eta vs tors. theta energy: -2.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 364
Temperature: 1.300000
Total energy: -382.959581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -382.959581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -382.959581 (E_RNA)
where:
Base-Base interactions energy: -146.112
where: short stacking energy: -126.365
Base-Backbone interact. energy: -0.881
local terms energy: -235.966286
where:
bonds (distance) C4'-P energy: -65.446
bonds (distance) P-C4' energy: -82.026
flat angles C4'-P-C4' energy: -66.208
flat angles P-C4'-P energy: -41.675
tors. eta vs tors. theta energy: 19.388
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: 364
Temperature: 1.350000
Total energy: -349.894625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.894625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.894625 (E_RNA)
where:
Base-Base interactions energy: -100.365
where: short stacking energy: -93.097
Base-Backbone interact. energy: 3.165
local terms energy: -252.695104
where:
bonds (distance) C4'-P energy: -73.902
bonds (distance) P-C4' energy: -89.313
flat angles C4'-P-C4' energy: -69.312
flat angles P-C4'-P energy: -33.209
tors. eta vs tors. theta energy: 13.041
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: 1, replica: 1
=====================================
Write number: 365
Temperature: 0.900000
Total energy: -1254.883008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1254.883008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1254.883008 (E_RNA)
where:
Base-Base interactions energy: -768.601
where: short stacking energy: -435.937
Base-Backbone interact. energy: 1.131
local terms energy: -487.412958
where:
bonds (distance) C4'-P energy: -87.102
bonds (distance) P-C4' energy: -95.007
flat angles C4'-P-C4' energy: -104.443
flat angles P-C4'-P energy: -71.122
tors. eta vs tors. theta energy: -129.739
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: 4
=====================================
Write number: 365
Temperature: 0.950000
Total energy: -1124.284642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1124.284642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1124.284642 (E_RNA)
where:
Base-Base interactions energy: -646.862
where: short stacking energy: -387.614
Base-Backbone interact. energy: -0.350
local terms energy: -477.072964
where:
bonds (distance) C4'-P energy: -91.087
bonds (distance) P-C4' energy: -95.023
flat angles C4'-P-C4' energy: -99.223
flat angles P-C4'-P energy: -73.089
tors. eta vs tors. theta energy: -118.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 365
Temperature: 1.000000
Total energy: -884.266513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -884.266513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -884.266513 (E_RNA)
where:
Base-Base interactions energy: -469.049
where: short stacking energy: -335.396
Base-Backbone interact. energy: -0.671
local terms energy: -414.546467
where:
bonds (distance) C4'-P energy: -82.385
bonds (distance) P-C4' energy: -92.837
flat angles C4'-P-C4' energy: -95.426
flat angles P-C4'-P energy: -53.515
tors. eta vs tors. theta energy: -90.383
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: 365
Temperature: 1.050000
Total energy: -748.879760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -748.879760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -748.879760 (E_RNA)
where:
Base-Base interactions energy: -396.336
where: short stacking energy: -261.511
Base-Backbone interact. energy: -0.657
local terms energy: -351.886770
where:
bonds (distance) C4'-P energy: -87.363
bonds (distance) P-C4' energy: -88.895
flat angles C4'-P-C4' energy: -86.104
flat angles P-C4'-P energy: -40.058
tors. eta vs tors. theta energy: -49.468
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: 6
=====================================
Write number: 365
Temperature: 1.100000
Total energy: -736.482586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -736.482586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -736.482586 (E_RNA)
where:
Base-Base interactions energy: -399.768
where: short stacking energy: -231.818
Base-Backbone interact. energy: -2.232
local terms energy: -334.483048
where:
bonds (distance) C4'-P energy: -89.341
bonds (distance) P-C4' energy: -84.503
flat angles C4'-P-C4' energy: -90.197
flat angles P-C4'-P energy: -38.273
tors. eta vs tors. theta energy: -32.169
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: 5
=====================================
Write number: 365
Temperature: 1.150000
Total energy: -593.270186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -593.270186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -593.270186 (E_RNA)
where:
Base-Base interactions energy: -260.573
where: short stacking energy: -174.700
Base-Backbone interact. energy: -1.746
local terms energy: -330.951408
where:
bonds (distance) C4'-P energy: -82.142
bonds (distance) P-C4' energy: -77.374
flat angles C4'-P-C4' energy: -87.739
flat angles P-C4'-P energy: -47.729
tors. eta vs tors. theta energy: -35.968
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: 7, replica: 9
=====================================
Write number: 365
Temperature: 1.200000
Total energy: -472.477345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -472.477345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.477345 (E_RNA)
where:
Base-Base interactions energy: -179.333
where: short stacking energy: -146.782
Base-Backbone interact. energy: 0.831
local terms energy: -293.974985
where:
bonds (distance) C4'-P energy: -71.243
bonds (distance) P-C4' energy: -82.617
flat angles C4'-P-C4' energy: -78.286
flat angles P-C4'-P energy: -52.625
tors. eta vs tors. theta energy: -9.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 365
Temperature: 1.250000
Total energy: -414.605417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.605417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.605417 (E_RNA)
where:
Base-Base interactions energy: -131.501
where: short stacking energy: -118.791
Base-Backbone interact. energy: 1.635
local terms energy: -284.739672
where:
bonds (distance) C4'-P energy: -89.760
bonds (distance) P-C4' energy: -89.679
flat angles C4'-P-C4' energy: -77.201
flat angles P-C4'-P energy: -42.906
tors. eta vs tors. theta energy: 14.806
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 365
Temperature: 1.300000
Total energy: -371.620788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.620788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.620788 (E_RNA)
where:
Base-Base interactions energy: -137.578
where: short stacking energy: -126.604
Base-Backbone interact. energy: 2.340
local terms energy: -236.383607
where:
bonds (distance) C4'-P energy: -72.864
bonds (distance) P-C4' energy: -79.094
flat angles C4'-P-C4' energy: -62.879
flat angles P-C4'-P energy: -34.382
tors. eta vs tors. theta energy: 12.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 365
Temperature: 1.350000
Total energy: -355.848155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.848155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.848155 (E_RNA)
where:
Base-Base interactions energy: -125.100
where: short stacking energy: -109.936
Base-Backbone interact. energy: 2.596
local terms energy: -233.344052
where:
bonds (distance) C4'-P energy: -61.972
bonds (distance) P-C4' energy: -66.883
flat angles C4'-P-C4' energy: -68.093
flat angles P-C4'-P energy: -45.941
tors. eta vs tors. theta energy: 9.544
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: 1
=====================================
Write number: 366
Temperature: 0.900000
Total energy: -1250.718365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1250.718365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1250.718365 (E_RNA)
where:
Base-Base interactions energy: -762.334
where: short stacking energy: -412.053
Base-Backbone interact. energy: -1.952
local terms energy: -486.432812
where:
bonds (distance) C4'-P energy: -82.128
bonds (distance) P-C4' energy: -92.198
flat angles C4'-P-C4' energy: -99.105
flat angles P-C4'-P energy: -75.730
tors. eta vs tors. theta energy: -137.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 366
Temperature: 0.950000
Total energy: -1126.395158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1126.395158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1126.395158 (E_RNA)
where:
Base-Base interactions energy: -658.031
where: short stacking energy: -421.818
Base-Backbone interact. energy: -1.278
local terms energy: -467.086871
where:
bonds (distance) C4'-P energy: -100.226
bonds (distance) P-C4' energy: -97.377
flat angles C4'-P-C4' energy: -96.083
flat angles P-C4'-P energy: -52.931
tors. eta vs tors. theta energy: -120.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 366
Temperature: 1.000000
Total energy: -860.326417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -860.326417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -860.326417 (E_RNA)
where:
Base-Base interactions energy: -450.720
where: short stacking energy: -317.529
Base-Backbone interact. energy: 1.546
local terms energy: -411.152481
where:
bonds (distance) C4'-P energy: -89.145
bonds (distance) P-C4' energy: -87.209
flat angles C4'-P-C4' energy: -90.194
flat angles P-C4'-P energy: -65.449
tors. eta vs tors. theta energy: -79.156
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: 366
Temperature: 1.050000
Total energy: -722.016441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -722.016441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -722.016441 (E_RNA)
where:
Base-Base interactions energy: -355.520
where: short stacking energy: -235.904
Base-Backbone interact. energy: -1.130
local terms energy: -365.367068
where:
bonds (distance) C4'-P energy: -85.173
bonds (distance) P-C4' energy: -76.217
flat angles C4'-P-C4' energy: -83.033
flat angles P-C4'-P energy: -58.910
tors. eta vs tors. theta energy: -62.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 366
Temperature: 1.100000
Total energy: -677.660545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -677.660545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -677.660545 (E_RNA)
where:
Base-Base interactions energy: -333.468
where: short stacking energy: -233.407
Base-Backbone interact. energy: 0.557
local terms energy: -344.749964
where:
bonds (distance) C4'-P energy: -90.997
bonds (distance) P-C4' energy: -79.057
flat angles C4'-P-C4' energy: -75.714
flat angles P-C4'-P energy: -66.939
tors. eta vs tors. theta energy: -32.042
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 366
Temperature: 1.150000
Total energy: -548.467600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.467600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.467600 (E_RNA)
where:
Base-Base interactions energy: -219.334
where: short stacking energy: -190.002
Base-Backbone interact. energy: -0.414
local terms energy: -328.719196
where:
bonds (distance) C4'-P energy: -78.743
bonds (distance) P-C4' energy: -87.846
flat angles C4'-P-C4' energy: -81.604
flat angles P-C4'-P energy: -52.325
tors. eta vs tors. theta energy: -28.201
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: 366
Temperature: 1.200000
Total energy: -475.585020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -475.585020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -475.585020 (E_RNA)
where:
Base-Base interactions energy: -180.352
where: short stacking energy: -173.076
Base-Backbone interact. energy: -0.712
local terms energy: -294.520564
where:
bonds (distance) C4'-P energy: -83.669
bonds (distance) P-C4' energy: -73.052
flat angles C4'-P-C4' energy: -68.030
flat angles P-C4'-P energy: -56.390
tors. eta vs tors. theta energy: -13.379
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 366
Temperature: 1.250000
Total energy: -406.802094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.802094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -406.802094 (E_RNA)
where:
Base-Base interactions energy: -149.978
where: short stacking energy: -113.960
Base-Backbone interact. energy: -0.339
local terms energy: -256.485380
where:
bonds (distance) C4'-P energy: -72.875
bonds (distance) P-C4' energy: -88.695
flat angles C4'-P-C4' energy: -69.847
flat angles P-C4'-P energy: -24.431
tors. eta vs tors. theta energy: -0.638
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: 366
Temperature: 1.300000
Total energy: -378.320220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -378.320220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -378.320220 (E_RNA)
where:
Base-Base interactions energy: -132.772
where: short stacking energy: -123.280
Base-Backbone interact. energy: 1.237
local terms energy: -246.784874
where:
bonds (distance) C4'-P energy: -63.922
bonds (distance) P-C4' energy: -75.802
flat angles C4'-P-C4' energy: -62.670
flat angles P-C4'-P energy: -37.097
tors. eta vs tors. theta energy: -7.294
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 366
Temperature: 1.350000
Total energy: -346.173640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.173640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.173640 (E_RNA)
where:
Base-Base interactions energy: -88.288
where: short stacking energy: -81.007
Base-Backbone interact. energy: 1.743
local terms energy: -259.629402
where:
bonds (distance) C4'-P energy: -78.377
bonds (distance) P-C4' energy: -75.652
flat angles C4'-P-C4' energy: -61.902
flat angles P-C4'-P energy: -48.554
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: 1, replica: 1
=====================================
Write number: 367
Temperature: 0.900000
Total energy: -1260.749559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1260.749559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1260.749559 (E_RNA)
where:
Base-Base interactions energy: -769.329
where: short stacking energy: -429.011
Base-Backbone interact. energy: -2.059
local terms energy: -489.362168
where:
bonds (distance) C4'-P energy: -89.417
bonds (distance) P-C4' energy: -92.581
flat angles C4'-P-C4' energy: -103.782
flat angles P-C4'-P energy: -75.913
tors. eta vs tors. theta energy: -127.671
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 367
Temperature: 0.950000
Total energy: -1115.746589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1115.746589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1115.746589 (E_RNA)
where:
Base-Base interactions energy: -658.648
where: short stacking energy: -417.910
Base-Backbone interact. energy: -2.311
local terms energy: -454.786965
where:
bonds (distance) C4'-P energy: -96.411
bonds (distance) P-C4' energy: -80.406
flat angles C4'-P-C4' energy: -99.987
flat angles P-C4'-P energy: -64.138
tors. eta vs tors. theta energy: -113.846
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: 7
=====================================
Write number: 367
Temperature: 1.000000
Total energy: -888.946829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -888.946829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -888.946829 (E_RNA)
where:
Base-Base interactions energy: -472.839
where: short stacking energy: -347.014
Base-Backbone interact. energy: 0.560
local terms energy: -416.667784
where:
bonds (distance) C4'-P energy: -87.414
bonds (distance) P-C4' energy: -99.530
flat angles C4'-P-C4' energy: -94.190
flat angles P-C4'-P energy: -51.114
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: 6
=====================================
Write number: 367
Temperature: 1.050000
Total energy: -720.595645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -720.595645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -720.595645 (E_RNA)
where:
Base-Base interactions energy: -342.827
where: short stacking energy: -253.092
Base-Backbone interact. energy: -0.006
local terms energy: -377.762027
where:
bonds (distance) C4'-P energy: -81.545
bonds (distance) P-C4' energy: -92.710
flat angles C4'-P-C4' energy: -93.747
flat angles P-C4'-P energy: -61.756
tors. eta vs tors. theta energy: -48.005
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: 3
=====================================
Write number: 367
Temperature: 1.100000
Total energy: -678.236463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -678.236463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -678.236463 (E_RNA)
where:
Base-Base interactions energy: -312.537
where: short stacking energy: -218.321
Base-Backbone interact. energy: 3.650
local terms energy: -369.349133
where:
bonds (distance) C4'-P energy: -92.552
bonds (distance) P-C4' energy: -82.379
flat angles C4'-P-C4' energy: -91.197
flat angles P-C4'-P energy: -55.500
tors. eta vs tors. theta energy: -47.721
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: 5
=====================================
Write number: 367
Temperature: 1.150000
Total energy: -515.331143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.331143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.331143 (E_RNA)
where:
Base-Base interactions energy: -209.767
where: short stacking energy: -163.054
Base-Backbone interact. energy: -2.219
local terms energy: -303.344964
where:
bonds (distance) C4'-P energy: -72.335
bonds (distance) P-C4' energy: -83.623
flat angles C4'-P-C4' energy: -82.694
flat angles P-C4'-P energy: -56.128
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: 7, replica: 9
=====================================
Write number: 367
Temperature: 1.200000
Total energy: -452.398881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -452.398881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -452.398881 (E_RNA)
where:
Base-Base interactions energy: -171.142
where: short stacking energy: -147.278
Base-Backbone interact. energy: 3.547
local terms energy: -284.803202
where:
bonds (distance) C4'-P energy: -82.314
bonds (distance) P-C4' energy: -78.476
flat angles C4'-P-C4' energy: -71.891
flat angles P-C4'-P energy: -37.820
tors. eta vs tors. theta energy: -14.301
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: 8
=====================================
Write number: 367
Temperature: 1.250000
Total energy: -435.986200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -435.986200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -435.986200 (E_RNA)
where:
Base-Base interactions energy: -156.395
where: short stacking energy: -142.814
Base-Backbone interact. energy: 1.299
local terms energy: -280.890606
where:
bonds (distance) C4'-P energy: -76.873
bonds (distance) P-C4' energy: -74.606
flat angles C4'-P-C4' energy: -81.872
flat angles P-C4'-P energy: -43.823
tors. eta vs tors. theta energy: -3.717
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 367
Temperature: 1.300000
Total energy: -381.132556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -381.132556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -381.132556 (E_RNA)
where:
Base-Base interactions energy: -113.329
where: short stacking energy: -103.474
Base-Backbone interact. energy: -0.157
local terms energy: -267.646507
where:
bonds (distance) C4'-P energy: -73.303
bonds (distance) P-C4' energy: -87.134
flat angles C4'-P-C4' energy: -64.136
flat angles P-C4'-P energy: -51.598
tors. eta vs tors. theta energy: 8.524
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: 10
=====================================
Write number: 367
Temperature: 1.350000
Total energy: -336.837541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.837541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.837541 (E_RNA)
where:
Base-Base interactions energy: -105.050
where: short stacking energy: -86.711
Base-Backbone interact. energy: -2.070
local terms energy: -229.718433
where:
bonds (distance) C4'-P energy: -74.992
bonds (distance) P-C4' energy: -90.054
flat angles C4'-P-C4' energy: -62.062
flat angles P-C4'-P energy: -22.643
tors. eta vs tors. theta energy: 20.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 368
Temperature: 0.900000
Total energy: -1244.943669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1244.943669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1244.943669 (E_RNA)
where:
Base-Base interactions energy: -756.549
where: short stacking energy: -407.516
Base-Backbone interact. energy: -0.729
local terms energy: -487.665396
where:
bonds (distance) C4'-P energy: -99.359
bonds (distance) P-C4' energy: -96.236
flat angles C4'-P-C4' energy: -100.881
flat angles P-C4'-P energy: -64.396
tors. eta vs tors. theta energy: -126.792
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: 2, replica: 4
=====================================
Write number: 368
Temperature: 0.950000
Total energy: -1155.448316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1155.448316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1155.448316 (E_RNA)
where:
Base-Base interactions energy: -678.356
where: short stacking energy: -411.495
Base-Backbone interact. energy: -1.774
local terms energy: -475.317524
where:
bonds (distance) C4'-P energy: -89.762
bonds (distance) P-C4' energy: -93.306
flat angles C4'-P-C4' energy: -90.625
flat angles P-C4'-P energy: -70.459
tors. eta vs tors. theta energy: -131.166
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: 7
=====================================
Write number: 368
Temperature: 1.000000
Total energy: -858.088998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -858.088998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -858.088998 (E_RNA)
where:
Base-Base interactions energy: -465.173
where: short stacking energy: -303.801
Base-Backbone interact. energy: -1.454
local terms energy: -391.461670
where:
bonds (distance) C4'-P energy: -88.652
bonds (distance) P-C4' energy: -75.129
flat angles C4'-P-C4' energy: -95.231
flat angles P-C4'-P energy: -61.465
tors. eta vs tors. theta energy: -70.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 368
Temperature: 1.050000
Total energy: -756.960662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -756.960662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -756.960662 (E_RNA)
where:
Base-Base interactions energy: -397.767
where: short stacking energy: -240.463
Base-Backbone interact. energy: -0.751
local terms energy: -358.442570
where:
bonds (distance) C4'-P energy: -90.649
bonds (distance) P-C4' energy: -73.830
flat angles C4'-P-C4' energy: -88.801
flat angles P-C4'-P energy: -53.554
tors. eta vs tors. theta energy: -51.610
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 368
Temperature: 1.100000
Total energy: -676.109374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -676.109374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -676.109374 (E_RNA)
where:
Base-Base interactions energy: -317.325
where: short stacking energy: -225.354
Base-Backbone interact. energy: -0.085
local terms energy: -358.699400
where:
bonds (distance) C4'-P energy: -75.168
bonds (distance) P-C4' energy: -84.543
flat angles C4'-P-C4' energy: -97.823
flat angles P-C4'-P energy: -55.792
tors. eta vs tors. theta energy: -45.374
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: 5
=====================================
Write number: 368
Temperature: 1.150000
Total energy: -520.098994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.098994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.098994 (E_RNA)
where:
Base-Base interactions energy: -219.634
where: short stacking energy: -165.670
Base-Backbone interact. energy: -2.441
local terms energy: -298.023403
where:
bonds (distance) C4'-P energy: -76.049
bonds (distance) P-C4' energy: -90.098
flat angles C4'-P-C4' energy: -77.008
flat angles P-C4'-P energy: -44.552
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: 7, replica: 8
=====================================
Write number: 368
Temperature: 1.200000
Total energy: -458.661318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -458.661318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -458.661318 (E_RNA)
where:
Base-Base interactions energy: -169.098
where: short stacking energy: -139.018
Base-Backbone interact. energy: 1.908
local terms energy: -291.471118
where:
bonds (distance) C4'-P energy: -66.132
bonds (distance) P-C4' energy: -90.980
flat angles C4'-P-C4' energy: -74.459
flat angles P-C4'-P energy: -51.086
tors. eta vs tors. theta energy: -8.815
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 368
Temperature: 1.250000
Total energy: -439.732490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -439.732490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -439.732490 (E_RNA)
where:
Base-Base interactions energy: -156.010
where: short stacking energy: -154.913
Base-Backbone interact. energy: -0.022
local terms energy: -283.700544
where:
bonds (distance) C4'-P energy: -81.758
bonds (distance) P-C4' energy: -79.878
flat angles C4'-P-C4' energy: -73.798
flat angles P-C4'-P energy: -32.385
tors. eta vs tors. theta energy: -15.882
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 368
Temperature: 1.300000
Total energy: -433.165947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -433.165947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -433.165947 (E_RNA)
where:
Base-Base interactions energy: -148.784
where: short stacking energy: -132.972
Base-Backbone interact. energy: 0.407
local terms energy: -284.789122
where:
bonds (distance) C4'-P energy: -77.875
bonds (distance) P-C4' energy: -90.049
flat angles C4'-P-C4' energy: -69.958
flat angles P-C4'-P energy: -49.291
tors. eta vs tors. theta energy: 2.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 368
Temperature: 1.350000
Total energy: -334.593456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.593456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.593456 (E_RNA)
where:
Base-Base interactions energy: -115.744
where: short stacking energy: -114.300
Base-Backbone interact. energy: 9.793
local terms energy: -228.642426
where:
bonds (distance) C4'-P energy: -80.054
bonds (distance) P-C4' energy: -64.450
flat angles C4'-P-C4' energy: -65.859
flat angles P-C4'-P energy: -29.055
tors. eta vs tors. theta energy: 10.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 369
Temperature: 0.900000
Total energy: -1257.554333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1257.554333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1257.554333 (E_RNA)
where:
Base-Base interactions energy: -769.826
where: short stacking energy: -423.898
Base-Backbone interact. energy: -1.779
local terms energy: -485.948999
where:
bonds (distance) C4'-P energy: -94.988
bonds (distance) P-C4' energy: -86.225
flat angles C4'-P-C4' energy: -110.284
flat angles P-C4'-P energy: -64.033
tors. eta vs tors. theta energy: -130.418
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: 4
=====================================
Write number: 369
Temperature: 0.950000
Total energy: -1141.066966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1141.066966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1141.066966 (E_RNA)
where:
Base-Base interactions energy: -666.556
where: short stacking energy: -390.125
Base-Backbone interact. energy: -0.112
local terms energy: -474.399381
where:
bonds (distance) C4'-P energy: -92.632
bonds (distance) P-C4' energy: -101.939
flat angles C4'-P-C4' energy: -101.211
flat angles P-C4'-P energy: -70.715
tors. eta vs tors. theta energy: -107.903
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 369
Temperature: 1.000000
Total energy: -892.434678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -892.434678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -892.434678 (E_RNA)
where:
Base-Base interactions energy: -466.753
where: short stacking energy: -311.182
Base-Backbone interact. energy: -0.562
local terms energy: -425.119197
where:
bonds (distance) C4'-P energy: -91.631
bonds (distance) P-C4' energy: -92.756
flat angles C4'-P-C4' energy: -100.963
flat angles P-C4'-P energy: -53.120
tors. eta vs tors. theta energy: -86.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 369
Temperature: 1.050000
Total energy: -745.795365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -745.795365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -745.795365 (E_RNA)
where:
Base-Base interactions energy: -370.682
where: short stacking energy: -244.432
Base-Backbone interact. energy: -0.834
local terms energy: -374.279991
where:
bonds (distance) C4'-P energy: -101.650
bonds (distance) P-C4' energy: -97.156
flat angles C4'-P-C4' energy: -80.857
flat angles P-C4'-P energy: -58.053
tors. eta vs tors. theta energy: -36.565
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 369
Temperature: 1.100000
Total energy: -664.924418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -664.924418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -664.924418 (E_RNA)
where:
Base-Base interactions energy: -335.135
where: short stacking energy: -224.724
Base-Backbone interact. energy: -2.286
local terms energy: -327.503602
where:
bonds (distance) C4'-P energy: -89.062
bonds (distance) P-C4' energy: -88.011
flat angles C4'-P-C4' energy: -76.922
flat angles P-C4'-P energy: -35.642
tors. eta vs tors. theta energy: -37.867
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 369
Temperature: 1.150000
Total energy: -529.987769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.987769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.987769 (E_RNA)
where:
Base-Base interactions energy: -201.639
where: short stacking energy: -176.632
Base-Backbone interact. energy: 0.818
local terms energy: -329.167402
where:
bonds (distance) C4'-P energy: -73.088
bonds (distance) P-C4' energy: -95.865
flat angles C4'-P-C4' energy: -92.076
flat angles P-C4'-P energy: -50.555
tors. eta vs tors. theta energy: -17.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 369
Temperature: 1.200000
Total energy: -494.259749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.259749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.259749 (E_RNA)
where:
Base-Base interactions energy: -205.104
where: short stacking energy: -160.690
Base-Backbone interact. energy: 8.319
local terms energy: -297.474570
where:
bonds (distance) C4'-P energy: -81.483
bonds (distance) P-C4' energy: -87.349
flat angles C4'-P-C4' energy: -68.374
flat angles P-C4'-P energy: -39.901
tors. eta vs tors. theta energy: -20.368
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 369
Temperature: 1.250000
Total energy: -423.536725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -423.536725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -423.536725 (E_RNA)
where:
Base-Base interactions energy: -133.311
where: short stacking energy: -122.839
Base-Backbone interact. energy: 4.913
local terms energy: -295.138405
where:
bonds (distance) C4'-P energy: -84.284
bonds (distance) P-C4' energy: -84.405
flat angles C4'-P-C4' energy: -71.264
flat angles P-C4'-P energy: -55.828
tors. eta vs tors. theta energy: 0.643
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: 369
Temperature: 1.300000
Total energy: -390.678656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -390.678656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -390.678656 (E_RNA)
where:
Base-Base interactions energy: -145.303
where: short stacking energy: -135.632
Base-Backbone interact. energy: -0.550
local terms energy: -244.824999
where:
bonds (distance) C4'-P energy: -77.604
bonds (distance) P-C4' energy: -78.933
flat angles C4'-P-C4' energy: -59.113
flat angles P-C4'-P energy: -33.899
tors. eta vs tors. theta energy: 4.724
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: 2
=====================================
Write number: 369
Temperature: 1.350000
Total energy: -353.078763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.078763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.078763 (E_RNA)
where:
Base-Base interactions energy: -114.952
where: short stacking energy: -109.109
Base-Backbone interact. energy: 1.879
local terms energy: -240.005788
where:
bonds (distance) C4'-P energy: -76.275
bonds (distance) P-C4' energy: -58.641
flat angles C4'-P-C4' energy: -54.147
flat angles P-C4'-P energy: -52.548
tors. eta vs tors. theta energy: 1.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 370
Temperature: 0.900000
Total energy: -1258.446430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1258.446430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1258.446430 (E_RNA)
where:
Base-Base interactions energy: -754.707
where: short stacking energy: -445.906
Base-Backbone interact. energy: -1.157
local terms energy: -502.582891
where:
bonds (distance) C4'-P energy: -95.477
bonds (distance) P-C4' energy: -96.336
flat angles C4'-P-C4' energy: -98.801
flat angles P-C4'-P energy: -71.151
tors. eta vs tors. theta energy: -140.817
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: 4
=====================================
Write number: 370
Temperature: 0.950000
Total energy: -1101.460560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1101.460560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1101.460560 (E_RNA)
where:
Base-Base interactions energy: -639.439
where: short stacking energy: -392.052
Base-Backbone interact. energy: -1.207
local terms energy: -460.814635
where:
bonds (distance) C4'-P energy: -85.964
bonds (distance) P-C4' energy: -89.352
flat angles C4'-P-C4' energy: -101.898
flat angles P-C4'-P energy: -71.782
tors. eta vs tors. theta energy: -111.819
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: 7
=====================================
Write number: 370
Temperature: 1.000000
Total energy: -911.191634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -911.191634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -911.191634 (E_RNA)
where:
Base-Base interactions energy: -485.293
where: short stacking energy: -315.995
Base-Backbone interact. energy: -0.412
local terms energy: -425.486664
where:
bonds (distance) C4'-P energy: -85.133
bonds (distance) P-C4' energy: -86.772
flat angles C4'-P-C4' energy: -97.621
flat angles P-C4'-P energy: -66.285
tors. eta vs tors. theta energy: -89.676
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: 4, replica: 6
=====================================
Write number: 370
Temperature: 1.050000
Total energy: -706.594502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -706.594502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -706.594502 (E_RNA)
where:
Base-Base interactions energy: -340.097
where: short stacking energy: -212.968
Base-Backbone interact. energy: -0.224
local terms energy: -366.273605
where:
bonds (distance) C4'-P energy: -79.114
bonds (distance) P-C4' energy: -98.026
flat angles C4'-P-C4' energy: -89.369
flat angles P-C4'-P energy: -59.040
tors. eta vs tors. theta energy: -40.725
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 370
Temperature: 1.100000
Total energy: -669.814865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -669.814865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -669.814865 (E_RNA)
where:
Base-Base interactions energy: -316.357
where: short stacking energy: -217.364
Base-Backbone interact. energy: 0.774
local terms energy: -354.232019
where:
bonds (distance) C4'-P energy: -84.590
bonds (distance) P-C4' energy: -83.914
flat angles C4'-P-C4' energy: -83.223
flat angles P-C4'-P energy: -46.027
tors. eta vs tors. theta energy: -56.478
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: 8
=====================================
Write number: 370
Temperature: 1.150000
Total energy: -530.428101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.428101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.428101 (E_RNA)
where:
Base-Base interactions energy: -238.370
where: short stacking energy: -160.788
Base-Backbone interact. energy: -2.942
local terms energy: -289.115487
where:
bonds (distance) C4'-P energy: -82.551
bonds (distance) P-C4' energy: -68.780
flat angles C4'-P-C4' energy: -68.645
flat angles P-C4'-P energy: -48.182
tors. eta vs tors. theta energy: -20.957
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 370
Temperature: 1.200000
Total energy: -446.432318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -446.432318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -446.432318 (E_RNA)
where:
Base-Base interactions energy: -173.202
where: short stacking energy: -145.942
Base-Backbone interact. energy: 0.561
local terms energy: -273.791679
where:
bonds (distance) C4'-P energy: -71.833
bonds (distance) P-C4' energy: -83.147
flat angles C4'-P-C4' energy: -65.819
flat angles P-C4'-P energy: -40.245
tors. eta vs tors. theta energy: -12.748
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 370
Temperature: 1.250000
Total energy: -426.660777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -426.660777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -426.660777 (E_RNA)
where:
Base-Base interactions energy: -139.279
where: short stacking energy: -124.089
Base-Backbone interact. energy: 0.019
local terms energy: -287.400605
where:
bonds (distance) C4'-P energy: -79.992
bonds (distance) P-C4' energy: -91.835
flat angles C4'-P-C4' energy: -64.999
flat angles P-C4'-P energy: -56.033
tors. eta vs tors. theta energy: 5.458
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 370
Temperature: 1.300000
Total energy: -373.843389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.843389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.843389 (E_RNA)
where:
Base-Base interactions energy: -104.064
where: short stacking energy: -91.165
Base-Backbone interact. energy: -0.935
local terms energy: -268.844422
where:
bonds (distance) C4'-P energy: -84.111
bonds (distance) P-C4' energy: -80.591
flat angles C4'-P-C4' energy: -66.122
flat angles P-C4'-P energy: -54.889
tors. eta vs tors. theta energy: 16.869
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 370
Temperature: 1.350000
Total energy: -363.162888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.162888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.162888 (E_RNA)
where:
Base-Base interactions energy: -114.640
where: short stacking energy: -108.398
Base-Backbone interact. energy: 3.238
local terms energy: -251.760978
where:
bonds (distance) C4'-P energy: -87.653
bonds (distance) P-C4' energy: -74.826
flat angles C4'-P-C4' energy: -75.204
flat angles P-C4'-P energy: -27.678
tors. eta vs tors. theta energy: 13.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 371
Temperature: 0.900000
Total energy: -1260.257838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1260.257838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1260.257838 (E_RNA)
where:
Base-Base interactions energy: -767.152
where: short stacking energy: -422.066
Base-Backbone interact. energy: -2.925
local terms energy: -490.180262
where:
bonds (distance) C4'-P energy: -89.931
bonds (distance) P-C4' energy: -95.034
flat angles C4'-P-C4' energy: -99.445
flat angles P-C4'-P energy: -73.673
tors. eta vs tors. theta energy: -132.098
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: 371
Temperature: 0.950000
Total energy: -1123.628798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1123.628798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1123.628798 (E_RNA)
where:
Base-Base interactions energy: -663.863
where: short stacking energy: -387.391
Base-Backbone interact. energy: -1.320
local terms energy: -458.445466
where:
bonds (distance) C4'-P energy: -82.327
bonds (distance) P-C4' energy: -93.128
flat angles C4'-P-C4' energy: -96.144
flat angles P-C4'-P energy: -70.794
tors. eta vs tors. theta energy: -116.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 371
Temperature: 1.000000
Total energy: -890.236174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -890.236174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -890.236174 (E_RNA)
where:
Base-Base interactions energy: -480.192
where: short stacking energy: -300.828
Base-Backbone interact. energy: -0.143
local terms energy: -409.901211
where:
bonds (distance) C4'-P energy: -84.922
bonds (distance) P-C4' energy: -104.151
flat angles C4'-P-C4' energy: -97.094
flat angles P-C4'-P energy: -54.179
tors. eta vs tors. theta energy: -69.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 371
Temperature: 1.050000
Total energy: -735.456735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -735.456735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -735.456735 (E_RNA)
where:
Base-Base interactions energy: -368.365
where: short stacking energy: -224.429
Base-Backbone interact. energy: 0.876
local terms energy: -367.967701
where:
bonds (distance) C4'-P energy: -79.400
bonds (distance) P-C4' energy: -91.996
flat angles C4'-P-C4' energy: -89.638
flat angles P-C4'-P energy: -64.027
tors. eta vs tors. theta energy: -42.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 371
Temperature: 1.100000
Total energy: -674.351438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -674.351438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -674.351438 (E_RNA)
where:
Base-Base interactions energy: -341.721
where: short stacking energy: -232.238
Base-Backbone interact. energy: -2.114
local terms energy: -330.516331
where:
bonds (distance) C4'-P energy: -72.653
bonds (distance) P-C4' energy: -74.771
flat angles C4'-P-C4' energy: -86.354
flat angles P-C4'-P energy: -48.619
tors. eta vs tors. theta energy: -48.119
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 371
Temperature: 1.150000
Total energy: -502.524744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.524744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.524744 (E_RNA)
where:
Base-Base interactions energy: -206.740
where: short stacking energy: -140.690
Base-Backbone interact. energy: -2.252
local terms energy: -293.532156
where:
bonds (distance) C4'-P energy: -76.489
bonds (distance) P-C4' energy: -88.109
flat angles C4'-P-C4' energy: -72.833
flat angles P-C4'-P energy: -46.273
tors. eta vs tors. theta energy: -9.829
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 371
Temperature: 1.200000
Total energy: -439.775751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -439.775751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -439.775751 (E_RNA)
where:
Base-Base interactions energy: -144.230
where: short stacking energy: -131.371
Base-Backbone interact. energy: 1.513
local terms energy: -297.059322
where:
bonds (distance) C4'-P energy: -74.631
bonds (distance) P-C4' energy: -84.589
flat angles C4'-P-C4' energy: -90.367
flat angles P-C4'-P energy: -40.989
tors. eta vs tors. theta energy: -6.483
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 371
Temperature: 1.250000
Total energy: -406.320725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.320725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -406.320725 (E_RNA)
where:
Base-Base interactions energy: -143.612
where: short stacking energy: -123.571
Base-Backbone interact. energy: 4.524
local terms energy: -267.232133
where:
bonds (distance) C4'-P energy: -77.954
bonds (distance) P-C4' energy: -93.055
flat angles C4'-P-C4' energy: -56.465
flat angles P-C4'-P energy: -40.618
tors. eta vs tors. theta energy: 0.860
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 371
Temperature: 1.300000
Total energy: -377.269452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -377.269452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -377.269452 (E_RNA)
where:
Base-Base interactions energy: -122.884
where: short stacking energy: -102.088
Base-Backbone interact. energy: -0.981
local terms energy: -253.404523
where:
bonds (distance) C4'-P energy: -90.325
bonds (distance) P-C4' energy: -63.564
flat angles C4'-P-C4' energy: -68.311
flat angles P-C4'-P energy: -41.098
tors. eta vs tors. theta energy: 9.894
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: 2
=====================================
Write number: 371
Temperature: 1.350000
Total energy: -354.206650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.206650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.206650 (E_RNA)
where:
Base-Base interactions energy: -127.847
where: short stacking energy: -117.105
Base-Backbone interact. energy: -0.567
local terms energy: -225.792935
where:
bonds (distance) C4'-P energy: -61.396
bonds (distance) P-C4' energy: -91.079
flat angles C4'-P-C4' energy: -55.553
flat angles P-C4'-P energy: -23.045
tors. eta vs tors. theta energy: 5.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 372
Temperature: 0.900000
Total energy: -1288.554995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1288.554995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1288.554995 (E_RNA)
where:
Base-Base interactions energy: -785.204
where: short stacking energy: -437.058
Base-Backbone interact. energy: -2.665
local terms energy: -500.686243
where:
bonds (distance) C4'-P energy: -101.054
bonds (distance) P-C4' energy: -90.639
flat angles C4'-P-C4' energy: -101.805
flat angles P-C4'-P energy: -65.077
tors. eta vs tors. theta energy: -142.112
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: 4
=====================================
Write number: 372
Temperature: 0.950000
Total energy: -1104.311464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1104.311464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1104.311464 (E_RNA)
where:
Base-Base interactions energy: -635.298
where: short stacking energy: -380.669
Base-Backbone interact. energy: -1.099
local terms energy: -467.914611
where:
bonds (distance) C4'-P energy: -96.707
bonds (distance) P-C4' energy: -88.691
flat angles C4'-P-C4' energy: -102.035
flat angles P-C4'-P energy: -70.415
tors. eta vs tors. theta energy: -110.066
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: 7
=====================================
Write number: 372
Temperature: 1.000000
Total energy: -922.741496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -922.741496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -922.741496 (E_RNA)
where:
Base-Base interactions energy: -494.357
where: short stacking energy: -322.581
Base-Backbone interact. energy: -1.402
local terms energy: -426.982804
where:
bonds (distance) C4'-P energy: -88.049
bonds (distance) P-C4' energy: -96.601
flat angles C4'-P-C4' energy: -97.523
flat angles P-C4'-P energy: -59.547
tors. eta vs tors. theta energy: -85.263
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 372
Temperature: 1.050000
Total energy: -748.588455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -748.588455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -748.588455 (E_RNA)
where:
Base-Base interactions energy: -365.665
where: short stacking energy: -234.248
Base-Backbone interact. energy: -0.831
local terms energy: -382.091924
where:
bonds (distance) C4'-P energy: -87.109
bonds (distance) P-C4' energy: -81.866
flat angles C4'-P-C4' energy: -84.704
flat angles P-C4'-P energy: -61.437
tors. eta vs tors. theta energy: -66.976
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 372
Temperature: 1.100000
Total energy: -649.425288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -649.425288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -649.425288 (E_RNA)
where:
Base-Base interactions energy: -322.956
where: short stacking energy: -217.028
Base-Backbone interact. energy: -0.232
local terms energy: -326.237563
where:
bonds (distance) C4'-P energy: -84.573
bonds (distance) P-C4' energy: -61.016
flat angles C4'-P-C4' energy: -74.601
flat angles P-C4'-P energy: -61.633
tors. eta vs tors. theta energy: -44.415
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 372
Temperature: 1.150000
Total energy: -537.649673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.649673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.649673 (E_RNA)
where:
Base-Base interactions energy: -236.227
where: short stacking energy: -173.255
Base-Backbone interact. energy: 1.417
local terms energy: -302.838702
where:
bonds (distance) C4'-P energy: -78.686
bonds (distance) P-C4' energy: -82.595
flat angles C4'-P-C4' energy: -77.221
flat angles P-C4'-P energy: -52.661
tors. eta vs tors. theta energy: -11.676
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 372
Temperature: 1.200000
Total energy: -443.364740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -443.364740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -443.364740 (E_RNA)
where:
Base-Base interactions energy: -162.768
where: short stacking energy: -132.840
Base-Backbone interact. energy: 1.175
local terms energy: -281.772182
where:
bonds (distance) C4'-P energy: -86.243
bonds (distance) P-C4' energy: -70.465
flat angles C4'-P-C4' energy: -67.354
flat angles P-C4'-P energy: -55.493
tors. eta vs tors. theta energy: -2.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 372
Temperature: 1.250000
Total energy: -406.276824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.276824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -406.276824 (E_RNA)
where:
Base-Base interactions energy: -138.600
where: short stacking energy: -136.649
Base-Backbone interact. energy: -1.647
local terms energy: -266.029578
where:
bonds (distance) C4'-P energy: -78.426
bonds (distance) P-C4' energy: -81.254
flat angles C4'-P-C4' energy: -73.080
flat angles P-C4'-P energy: -34.659
tors. eta vs tors. theta energy: 1.390
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 372
Temperature: 1.300000
Total energy: -375.850790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -375.850790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -375.850790 (E_RNA)
where:
Base-Base interactions energy: -118.603
where: short stacking energy: -109.102
Base-Backbone interact. energy: 1.462
local terms energy: -258.709703
where:
bonds (distance) C4'-P energy: -78.229
bonds (distance) P-C4' energy: -81.056
flat angles C4'-P-C4' energy: -64.919
flat angles P-C4'-P energy: -52.803
tors. eta vs tors. theta energy: 18.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 372
Temperature: 1.350000
Total energy: -342.815768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.815768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.815768 (E_RNA)
where:
Base-Base interactions energy: -83.813
where: short stacking energy: -77.284
Base-Backbone interact. energy: 0.941
local terms energy: -259.943384
where:
bonds (distance) C4'-P energy: -79.114
bonds (distance) P-C4' energy: -87.412
flat angles C4'-P-C4' energy: -67.511
flat angles P-C4'-P energy: -45.691
tors. eta vs tors. theta energy: 19.784
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: 1, replica: 1
=====================================
Write number: 373
Temperature: 0.900000
Total energy: -1294.488600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1294.488600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1294.488600 (E_RNA)
where:
Base-Base interactions energy: -801.615
where: short stacking energy: -446.517
Base-Backbone interact. energy: -2.400
local terms energy: -490.473995
where:
bonds (distance) C4'-P energy: -92.516
bonds (distance) P-C4' energy: -92.127
flat angles C4'-P-C4' energy: -105.664
flat angles P-C4'-P energy: -67.017
tors. eta vs tors. theta energy: -133.150
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: 4
=====================================
Write number: 373
Temperature: 0.950000
Total energy: -1150.373951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1150.373951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1150.373951 (E_RNA)
where:
Base-Base interactions energy: -673.289
where: short stacking energy: -402.427
Base-Backbone interact. energy: -2.746
local terms energy: -474.339299
where:
bonds (distance) C4'-P energy: -87.494
bonds (distance) P-C4' energy: -86.877
flat angles C4'-P-C4' energy: -97.309
flat angles P-C4'-P energy: -71.117
tors. eta vs tors. theta energy: -131.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 373
Temperature: 1.000000
Total energy: -920.581262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -920.581262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -920.581262 (E_RNA)
where:
Base-Base interactions energy: -482.803
where: short stacking energy: -328.316
Base-Backbone interact. energy: -0.900
local terms energy: -436.878033
where:
bonds (distance) C4'-P energy: -95.607
bonds (distance) P-C4' energy: -85.777
flat angles C4'-P-C4' energy: -103.088
flat angles P-C4'-P energy: -60.694
tors. eta vs tors. theta energy: -91.712
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: 6
=====================================
Write number: 373
Temperature: 1.050000
Total energy: -745.285283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -745.285283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -745.285283 (E_RNA)
where:
Base-Base interactions energy: -378.838
where: short stacking energy: -268.052
Base-Backbone interact. energy: -1.877
local terms energy: -364.569989
where:
bonds (distance) C4'-P energy: -66.231
bonds (distance) P-C4' energy: -85.611
flat angles C4'-P-C4' energy: -95.270
flat angles P-C4'-P energy: -57.634
tors. eta vs tors. theta energy: -59.823
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: 373
Temperature: 1.100000
Total energy: -672.522838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -672.522838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -672.522838 (E_RNA)
where:
Base-Base interactions energy: -347.271
where: short stacking energy: -220.978
Base-Backbone interact. energy: -1.391
local terms energy: -323.860244
where:
bonds (distance) C4'-P energy: -76.256
bonds (distance) P-C4' energy: -85.080
flat angles C4'-P-C4' energy: -82.345
flat angles P-C4'-P energy: -49.192
tors. eta vs tors. theta energy: -30.988
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: 8
=====================================
Write number: 373
Temperature: 1.150000
Total energy: -497.411562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.411562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.411562 (E_RNA)
where:
Base-Base interactions energy: -194.127
where: short stacking energy: -172.111
Base-Backbone interact. energy: 2.826
local terms energy: -306.110578
where:
bonds (distance) C4'-P energy: -91.225
bonds (distance) P-C4' energy: -79.908
flat angles C4'-P-C4' energy: -67.967
flat angles P-C4'-P energy: -45.082
tors. eta vs tors. theta energy: -21.928
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 373
Temperature: 1.200000
Total energy: -453.095276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -453.095276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -453.095276 (E_RNA)
where:
Base-Base interactions energy: -169.954
where: short stacking energy: -140.495
Base-Backbone interact. energy: 1.144
local terms energy: -284.284760
where:
bonds (distance) C4'-P energy: -69.951
bonds (distance) P-C4' energy: -81.929
flat angles C4'-P-C4' energy: -72.770
flat angles P-C4'-P energy: -53.355
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: 2
=====================================
Write number: 373
Temperature: 1.250000
Total energy: -411.750396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.750396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.750396 (E_RNA)
where:
Base-Base interactions energy: -130.875
where: short stacking energy: -106.917
Base-Backbone interact. energy: 2.550
local terms energy: -283.425031
where:
bonds (distance) C4'-P energy: -88.054
bonds (distance) P-C4' energy: -90.853
flat angles C4'-P-C4' energy: -72.569
flat angles P-C4'-P energy: -33.989
tors. eta vs tors. theta energy: 2.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 373
Temperature: 1.300000
Total energy: -362.740683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.740683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.740683 (E_RNA)
where:
Base-Base interactions energy: -127.825
where: short stacking energy: -85.596
Base-Backbone interact. energy: 0.195
local terms energy: -235.110495
where:
bonds (distance) C4'-P energy: -64.484
bonds (distance) P-C4' energy: -94.195
flat angles C4'-P-C4' energy: -61.473
flat angles P-C4'-P energy: -41.533
tors. eta vs tors. theta energy: 26.575
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: 9
=====================================
Write number: 373
Temperature: 1.350000
Total energy: -356.966058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.966058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.966058 (E_RNA)
where:
Base-Base interactions energy: -106.920
where: short stacking energy: -90.812
Base-Backbone interact. energy: -2.133
local terms energy: -247.913281
where:
bonds (distance) C4'-P energy: -77.777
bonds (distance) P-C4' energy: -89.506
flat angles C4'-P-C4' energy: -59.095
flat angles P-C4'-P energy: -34.062
tors. eta vs tors. theta energy: 12.527
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: 1
=====================================
Write number: 374
Temperature: 0.900000
Total energy: -1283.464964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1283.464964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1283.464964 (E_RNA)
where:
Base-Base interactions energy: -793.347
where: short stacking energy: -431.485
Base-Backbone interact. energy: -1.170
local terms energy: -488.947802
where:
bonds (distance) C4'-P energy: -87.703
bonds (distance) P-C4' energy: -103.209
flat angles C4'-P-C4' energy: -102.512
flat angles P-C4'-P energy: -59.626
tors. eta vs tors. theta energy: -135.898
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: 4
=====================================
Write number: 374
Temperature: 0.950000
Total energy: -1121.395267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1121.395267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1121.395267 (E_RNA)
where:
Base-Base interactions energy: -661.745
where: short stacking energy: -419.400
Base-Backbone interact. energy: -1.299
local terms energy: -458.351503
where:
bonds (distance) C4'-P energy: -82.298
bonds (distance) P-C4' energy: -91.607
flat angles C4'-P-C4' energy: -102.639
flat angles P-C4'-P energy: -57.961
tors. eta vs tors. theta energy: -123.847
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: 3, replica: 7
=====================================
Write number: 374
Temperature: 1.000000
Total energy: -921.850210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -921.850210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -921.850210 (E_RNA)
where:
Base-Base interactions energy: -490.066
where: short stacking energy: -331.394
Base-Backbone interact. energy: -2.035
local terms energy: -429.748793
where:
bonds (distance) C4'-P energy: -90.230
bonds (distance) P-C4' energy: -91.980
flat angles C4'-P-C4' energy: -95.623
flat angles P-C4'-P energy: -65.778
tors. eta vs tors. theta energy: -86.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 374
Temperature: 1.050000
Total energy: -743.020385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -743.020385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -743.020385 (E_RNA)
where:
Base-Base interactions energy: -362.068
where: short stacking energy: -268.971
Base-Backbone interact. energy: 3.214
local terms energy: -384.166996
where:
bonds (distance) C4'-P energy: -81.129
bonds (distance) P-C4' energy: -87.853
flat angles C4'-P-C4' energy: -93.053
flat angles P-C4'-P energy: -57.201
tors. eta vs tors. theta energy: -64.931
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 374
Temperature: 1.100000
Total energy: -662.083379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -662.083379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -662.083379 (E_RNA)
where:
Base-Base interactions energy: -327.926
where: short stacking energy: -216.390
Base-Backbone interact. energy: -1.454
local terms energy: -332.703229
where:
bonds (distance) C4'-P energy: -73.191
bonds (distance) P-C4' energy: -81.239
flat angles C4'-P-C4' energy: -80.170
flat angles P-C4'-P energy: -53.425
tors. eta vs tors. theta energy: -44.678
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 374
Temperature: 1.150000
Total energy: -506.371888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.371888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.371888 (E_RNA)
where:
Base-Base interactions energy: -184.005
where: short stacking energy: -170.098
Base-Backbone interact. energy: -1.575
local terms energy: -320.791827
where:
bonds (distance) C4'-P energy: -85.696
bonds (distance) P-C4' energy: -87.463
flat angles C4'-P-C4' energy: -77.979
flat angles P-C4'-P energy: -40.720
tors. eta vs tors. theta energy: -28.934
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: 10
=====================================
Write number: 374
Temperature: 1.200000
Total energy: -496.757699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.757699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.757699 (E_RNA)
where:
Base-Base interactions energy: -188.292
where: short stacking energy: -146.831
Base-Backbone interact. energy: -0.414
local terms energy: -308.051637
where:
bonds (distance) C4'-P energy: -83.402
bonds (distance) P-C4' energy: -71.722
flat angles C4'-P-C4' energy: -91.070
flat angles P-C4'-P energy: -44.870
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: 8, replica: 2
=====================================
Write number: 374
Temperature: 1.250000
Total energy: -395.341132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -395.341132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -395.341132 (E_RNA)
where:
Base-Base interactions energy: -119.137
where: short stacking energy: -94.780
Base-Backbone interact. energy: 0.276
local terms energy: -276.479588
where:
bonds (distance) C4'-P energy: -78.307
bonds (distance) P-C4' energy: -82.849
flat angles C4'-P-C4' energy: -80.883
flat angles P-C4'-P energy: -49.092
tors. eta vs tors. theta energy: 14.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 374
Temperature: 1.300000
Total energy: -398.030086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -398.030086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -398.030086 (E_RNA)
where:
Base-Base interactions energy: -121.738
where: short stacking energy: -115.489
Base-Backbone interact. energy: -1.218
local terms energy: -275.074437
where:
bonds (distance) C4'-P energy: -77.782
bonds (distance) P-C4' energy: -83.902
flat angles C4'-P-C4' energy: -65.679
flat angles P-C4'-P energy: -49.818
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: 10, replica: 9
=====================================
Write number: 374
Temperature: 1.350000
Total energy: -371.258714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.258714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.258714 (E_RNA)
where:
Base-Base interactions energy: -114.273
where: short stacking energy: -106.080
Base-Backbone interact. energy: -1.490
local terms energy: -255.496042
where:
bonds (distance) C4'-P energy: -73.818
bonds (distance) P-C4' energy: -76.008
flat angles C4'-P-C4' energy: -73.159
flat angles P-C4'-P energy: -37.037
tors. eta vs tors. theta energy: 4.525
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 375
Temperature: 0.900000
Total energy: -1268.395111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1268.395111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1268.395111 (E_RNA)
where:
Base-Base interactions energy: -774.229
where: short stacking energy: -437.864
Base-Backbone interact. energy: -0.720
local terms energy: -493.445667
where:
bonds (distance) C4'-P energy: -92.625
bonds (distance) P-C4' energy: -101.391
flat angles C4'-P-C4' energy: -102.864
flat angles P-C4'-P energy: -70.949
tors. eta vs tors. theta energy: -125.617
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: 4
=====================================
Write number: 375
Temperature: 0.950000
Total energy: -1132.148461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1132.148461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1132.148461 (E_RNA)
where:
Base-Base interactions energy: -673.335
where: short stacking energy: -383.727
Base-Backbone interact. energy: 0.907
local terms energy: -459.720177
where:
bonds (distance) C4'-P energy: -83.858
bonds (distance) P-C4' energy: -88.476
flat angles C4'-P-C4' energy: -108.580
flat angles P-C4'-P energy: -63.358
tors. eta vs tors. theta energy: -115.448
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: 7
=====================================
Write number: 375
Temperature: 1.000000
Total energy: -908.234405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -908.234405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -908.234405 (E_RNA)
where:
Base-Base interactions energy: -486.089
where: short stacking energy: -327.853
Base-Backbone interact. energy: -1.010
local terms energy: -421.134667
where:
bonds (distance) C4'-P energy: -88.263
bonds (distance) P-C4' energy: -88.791
flat angles C4'-P-C4' energy: -88.582
flat angles P-C4'-P energy: -62.805
tors. eta vs tors. theta energy: -92.693
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: 4, replica: 6
=====================================
Write number: 375
Temperature: 1.050000
Total energy: -711.423649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -711.423649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -711.423649 (E_RNA)
where:
Base-Base interactions energy: -337.484
where: short stacking energy: -244.239
Base-Backbone interact. energy: 0.125
local terms energy: -374.064649
where:
bonds (distance) C4'-P energy: -75.962
bonds (distance) P-C4' energy: -94.657
flat angles C4'-P-C4' energy: -90.491
flat angles P-C4'-P energy: -65.848
tors. eta vs tors. theta energy: -47.107
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: 3
=====================================
Write number: 375
Temperature: 1.100000
Total energy: -700.897115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -700.897115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -700.897115 (E_RNA)
where:
Base-Base interactions energy: -353.440
where: short stacking energy: -229.340
Base-Backbone interact. energy: 1.341
local terms energy: -348.797668
where:
bonds (distance) C4'-P energy: -71.364
bonds (distance) P-C4' energy: -96.949
flat angles C4'-P-C4' energy: -87.924
flat angles P-C4'-P energy: -58.371
tors. eta vs tors. theta energy: -34.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 375
Temperature: 1.150000
Total energy: -529.574863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.574863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.574863 (E_RNA)
where:
Base-Base interactions energy: -199.837
where: short stacking energy: -159.654
Base-Backbone interact. energy: -1.385
local terms energy: -328.353035
where:
bonds (distance) C4'-P energy: -78.355
bonds (distance) P-C4' energy: -89.636
flat angles C4'-P-C4' energy: -96.961
flat angles P-C4'-P energy: -57.028
tors. eta vs tors. theta energy: -6.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 375
Temperature: 1.200000
Total energy: -435.119448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -435.119448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -435.119448 (E_RNA)
where:
Base-Base interactions energy: -157.101
where: short stacking energy: -124.393
Base-Backbone interact. energy: -1.294
local terms energy: -276.724150
where:
bonds (distance) C4'-P energy: -80.100
bonds (distance) P-C4' energy: -85.270
flat angles C4'-P-C4' energy: -73.987
flat angles P-C4'-P energy: -35.395
tors. eta vs tors. theta energy: -1.973
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: 8, replica: 5
=====================================
Write number: 375
Temperature: 1.250000
Total energy: -407.654263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.654263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -407.654263 (E_RNA)
where:
Base-Base interactions energy: -149.830
where: short stacking energy: -130.656
Base-Backbone interact. energy: 4.246
local terms energy: -262.070818
where:
bonds (distance) C4'-P energy: -78.392
bonds (distance) P-C4' energy: -72.269
flat angles C4'-P-C4' energy: -77.426
flat angles P-C4'-P energy: -40.717
tors. eta vs tors. theta energy: 6.732
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: 2
=====================================
Write number: 375
Temperature: 1.300000
Total energy: -416.371945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.371945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.371945 (E_RNA)
where:
Base-Base interactions energy: -165.311
where: short stacking energy: -116.078
Base-Backbone interact. energy: -0.007
local terms energy: -251.054493
where:
bonds (distance) C4'-P energy: -64.578
bonds (distance) P-C4' energy: -88.173
flat angles C4'-P-C4' energy: -76.363
flat angles P-C4'-P energy: -46.212
tors. eta vs tors. theta energy: 24.271
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: 375
Temperature: 1.350000
Total energy: -367.363665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.363665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.363665 (E_RNA)
where:
Base-Base interactions energy: -153.887
where: short stacking energy: -118.697
Base-Backbone interact. energy: 0.624
local terms energy: -214.101333
where:
bonds (distance) C4'-P energy: -76.454
bonds (distance) P-C4' energy: -69.830
flat angles C4'-P-C4' energy: -55.425
flat angles P-C4'-P energy: -36.153
tors. eta vs tors. theta energy: 23.761
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 376
Temperature: 0.900000
Total energy: -1264.050027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1264.050027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1264.050027 (E_RNA)
where:
Base-Base interactions energy: -778.033
where: short stacking energy: -416.464
Base-Backbone interact. energy: -1.172
local terms energy: -484.845513
where:
bonds (distance) C4'-P energy: -93.116
bonds (distance) P-C4' energy: -93.241
flat angles C4'-P-C4' energy: -99.055
flat angles P-C4'-P energy: -73.126
tors. eta vs tors. theta energy: -126.307
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 376
Temperature: 0.950000
Total energy: -1149.233818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1149.233818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1149.233818 (E_RNA)
where:
Base-Base interactions energy: -686.377
where: short stacking energy: -408.021
Base-Backbone interact. energy: -1.366
local terms energy: -461.490965
where:
bonds (distance) C4'-P energy: -82.907
bonds (distance) P-C4' energy: -88.977
flat angles C4'-P-C4' energy: -93.824
flat angles P-C4'-P energy: -76.105
tors. eta vs tors. theta energy: -119.678
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: 7
=====================================
Write number: 376
Temperature: 1.000000
Total energy: -891.783659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -891.783659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -891.783659 (E_RNA)
where:
Base-Base interactions energy: -468.994
where: short stacking energy: -302.087
Base-Backbone interact. energy: -0.966
local terms energy: -421.823341
where:
bonds (distance) C4'-P energy: -92.645
bonds (distance) P-C4' energy: -97.725
flat angles C4'-P-C4' energy: -93.490
flat angles P-C4'-P energy: -61.210
tors. eta vs tors. theta energy: -76.754
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: 6
=====================================
Write number: 376
Temperature: 1.050000
Total energy: -773.316982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -773.316982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -773.316982 (E_RNA)
where:
Base-Base interactions energy: -385.296
where: short stacking energy: -243.664
Base-Backbone interact. energy: -1.417
local terms energy: -386.604076
where:
bonds (distance) C4'-P energy: -88.678
bonds (distance) P-C4' energy: -82.760
flat angles C4'-P-C4' energy: -93.243
flat angles P-C4'-P energy: -58.946
tors. eta vs tors. theta energy: -62.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 376
Temperature: 1.100000
Total energy: -677.796370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -677.796370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -677.796370 (E_RNA)
where:
Base-Base interactions energy: -318.965
where: short stacking energy: -210.510
Base-Backbone interact. energy: -2.101
local terms energy: -356.730446
where:
bonds (distance) C4'-P energy: -88.088
bonds (distance) P-C4' energy: -96.738
flat angles C4'-P-C4' energy: -80.292
flat angles P-C4'-P energy: -56.587
tors. eta vs tors. theta energy: -35.025
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: 10
=====================================
Write number: 376
Temperature: 1.150000
Total energy: -519.024676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.024676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.024676 (E_RNA)
where:
Base-Base interactions energy: -188.608
where: short stacking energy: -172.323
Base-Backbone interact. energy: -0.378
local terms energy: -330.039459
where:
bonds (distance) C4'-P energy: -81.566
bonds (distance) P-C4' energy: -97.846
flat angles C4'-P-C4' energy: -71.021
flat angles P-C4'-P energy: -51.562
tors. eta vs tors. theta energy: -28.044
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 376
Temperature: 1.200000
Total energy: -502.059476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.059476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.059476 (E_RNA)
where:
Base-Base interactions energy: -227.082
where: short stacking energy: -179.963
Base-Backbone interact. energy: 0.163
local terms energy: -275.140814
where:
bonds (distance) C4'-P energy: -54.807
bonds (distance) P-C4' energy: -96.246
flat angles C4'-P-C4' energy: -64.775
flat angles P-C4'-P energy: -42.751
tors. eta vs tors. theta energy: -16.562
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 376
Temperature: 1.250000
Total energy: -410.267832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.267832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -410.267832 (E_RNA)
where:
Base-Base interactions energy: -147.001
where: short stacking energy: -131.030
Base-Backbone interact. energy: -1.194
local terms energy: -262.072643
where:
bonds (distance) C4'-P energy: -82.005
bonds (distance) P-C4' energy: -78.585
flat angles C4'-P-C4' energy: -67.258
flat angles P-C4'-P energy: -35.893
tors. eta vs tors. theta energy: 1.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 376
Temperature: 1.300000
Total energy: -416.836071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.836071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.836071 (E_RNA)
where:
Base-Base interactions energy: -154.868
where: short stacking energy: -119.772
Base-Backbone interact. energy: 0.783
local terms energy: -262.751139
where:
bonds (distance) C4'-P energy: -81.320
bonds (distance) P-C4' energy: -83.469
flat angles C4'-P-C4' energy: -67.552
flat angles P-C4'-P energy: -29.817
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: 10, replica: 9
=====================================
Write number: 376
Temperature: 1.350000
Total energy: -353.153256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.153256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.153256 (E_RNA)
where:
Base-Base interactions energy: -106.372
where: short stacking energy: -92.808
Base-Backbone interact. energy: 0.172
local terms energy: -246.953059
where:
bonds (distance) C4'-P energy: -62.446
bonds (distance) P-C4' energy: -78.790
flat angles C4'-P-C4' energy: -68.620
flat angles P-C4'-P energy: -42.535
tors. eta vs tors. theta energy: 5.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 377
Temperature: 0.900000
Total energy: -1290.429892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1290.429892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1290.429892 (E_RNA)
where:
Base-Base interactions energy: -798.414
where: short stacking energy: -445.672
Base-Backbone interact. energy: -0.959
local terms energy: -491.057289
where:
bonds (distance) C4'-P energy: -94.403
bonds (distance) P-C4' energy: -88.875
flat angles C4'-P-C4' energy: -94.643
flat angles P-C4'-P energy: -74.030
tors. eta vs tors. theta energy: -139.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 377
Temperature: 0.950000
Total energy: -1132.619434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1132.619434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1132.619434 (E_RNA)
where:
Base-Base interactions energy: -660.797
where: short stacking energy: -394.342
Base-Backbone interact. energy: 0.980
local terms energy: -472.802314
where:
bonds (distance) C4'-P energy: -92.843
bonds (distance) P-C4' energy: -97.528
flat angles C4'-P-C4' energy: -98.210
flat angles P-C4'-P energy: -64.756
tors. eta vs tors. theta energy: -119.465
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 377
Temperature: 1.000000
Total energy: -890.075583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -890.075583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -890.075583 (E_RNA)
where:
Base-Base interactions energy: -488.638
where: short stacking energy: -314.953
Base-Backbone interact. energy: 0.016
local terms energy: -401.453880
where:
bonds (distance) C4'-P energy: -82.725
bonds (distance) P-C4' energy: -91.807
flat angles C4'-P-C4' energy: -93.953
flat angles P-C4'-P energy: -48.404
tors. eta vs tors. theta energy: -84.565
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 377
Temperature: 1.050000
Total energy: -769.452099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -769.452099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -769.452099 (E_RNA)
where:
Base-Base interactions energy: -392.519
where: short stacking energy: -250.549
Base-Backbone interact. energy: 7.649
local terms energy: -384.582494
where:
bonds (distance) C4'-P energy: -91.926
bonds (distance) P-C4' energy: -91.414
flat angles C4'-P-C4' energy: -84.991
flat angles P-C4'-P energy: -63.287
tors. eta vs tors. theta energy: -52.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 377
Temperature: 1.100000
Total energy: -715.515201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -715.515201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -715.515201 (E_RNA)
where:
Base-Base interactions energy: -364.587
where: short stacking energy: -233.424
Base-Backbone interact. energy: -1.379
local terms energy: -349.548794
where:
bonds (distance) C4'-P energy: -80.395
bonds (distance) P-C4' energy: -85.221
flat angles C4'-P-C4' energy: -79.875
flat angles P-C4'-P energy: -64.015
tors. eta vs tors. theta energy: -40.043
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: 6, replica: 10
=====================================
Write number: 377
Temperature: 1.150000
Total energy: -499.097016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.097016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.097016 (E_RNA)
where:
Base-Base interactions energy: -193.474
where: short stacking energy: -174.446
Base-Backbone interact. energy: -1.086
local terms energy: -304.537037
where:
bonds (distance) C4'-P energy: -76.355
bonds (distance) P-C4' energy: -84.397
flat angles C4'-P-C4' energy: -72.724
flat angles P-C4'-P energy: -51.973
tors. eta vs tors. theta energy: -19.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 377
Temperature: 1.200000
Total energy: -471.138197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -471.138197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -471.138197 (E_RNA)
where:
Base-Base interactions energy: -175.764
where: short stacking energy: -149.148
Base-Backbone interact. energy: -0.470
local terms energy: -294.904091
where:
bonds (distance) C4'-P energy: -81.837
bonds (distance) P-C4' energy: -90.481
flat angles C4'-P-C4' energy: -79.330
flat angles P-C4'-P energy: -39.134
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: 8, replica: 2
=====================================
Write number: 377
Temperature: 1.250000
Total energy: -429.735392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -429.735392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -429.735392 (E_RNA)
where:
Base-Base interactions energy: -137.997
where: short stacking energy: -128.974
Base-Backbone interact. energy: -0.857
local terms energy: -290.880799
where:
bonds (distance) C4'-P energy: -72.037
bonds (distance) P-C4' energy: -90.572
flat angles C4'-P-C4' energy: -66.218
flat angles P-C4'-P energy: -55.352
tors. eta vs tors. theta energy: -6.701
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: 377
Temperature: 1.300000
Total energy: -377.297091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -377.297091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -377.297091 (E_RNA)
where:
Base-Base interactions energy: -112.017
where: short stacking energy: -98.306
Base-Backbone interact. energy: -2.261
local terms energy: -263.019349
where:
bonds (distance) C4'-P energy: -89.621
bonds (distance) P-C4' energy: -67.518
flat angles C4'-P-C4' energy: -69.713
flat angles P-C4'-P energy: -38.528
tors. eta vs tors. theta energy: 2.361
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 377
Temperature: 1.350000
Total energy: -343.247681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.247681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.247681 (E_RNA)
where:
Base-Base interactions energy: -113.393
where: short stacking energy: -105.113
Base-Backbone interact. energy: 3.481
local terms energy: -233.336198
where:
bonds (distance) C4'-P energy: -87.244
bonds (distance) P-C4' energy: -75.915
flat angles C4'-P-C4' energy: -58.816
flat angles P-C4'-P energy: -34.107
tors. eta vs tors. theta energy: 22.746
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 378
Temperature: 0.900000
Total energy: -1273.614960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1273.614960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1273.614960 (E_RNA)
where:
Base-Base interactions energy: -788.220
where: short stacking energy: -438.777
Base-Backbone interact. energy: -1.778
local terms energy: -483.617035
where:
bonds (distance) C4'-P energy: -86.015
bonds (distance) P-C4' energy: -95.389
flat angles C4'-P-C4' energy: -100.814
flat angles P-C4'-P energy: -75.443
tors. eta vs tors. theta energy: -125.955
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: 378
Temperature: 0.950000
Total energy: -1101.173170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1101.173170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1101.173170 (E_RNA)
where:
Base-Base interactions energy: -647.161
where: short stacking energy: -386.847
Base-Backbone interact. energy: 0.482
local terms energy: -454.494600
where:
bonds (distance) C4'-P energy: -74.472
bonds (distance) P-C4' energy: -106.001
flat angles C4'-P-C4' energy: -98.780
flat angles P-C4'-P energy: -60.281
tors. eta vs tors. theta energy: -114.961
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: 7
=====================================
Write number: 378
Temperature: 1.000000
Total energy: -835.164874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -835.164874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -835.164874 (E_RNA)
where:
Base-Base interactions energy: -453.857
where: short stacking energy: -265.773
Base-Backbone interact. energy: 0.997
local terms energy: -382.305597
where:
bonds (distance) C4'-P energy: -82.100
bonds (distance) P-C4' energy: -88.264
flat angles C4'-P-C4' energy: -94.721
flat angles P-C4'-P energy: -52.082
tors. eta vs tors. theta energy: -65.138
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 378
Temperature: 1.050000
Total energy: -752.497362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -752.497362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -752.497362 (E_RNA)
where:
Base-Base interactions energy: -379.395
where: short stacking energy: -235.594
Base-Backbone interact. energy: -1.974
local terms energy: -371.128827
where:
bonds (distance) C4'-P energy: -84.473
bonds (distance) P-C4' energy: -83.297
flat angles C4'-P-C4' energy: -92.894
flat angles P-C4'-P energy: -60.526
tors. eta vs tors. theta energy: -49.939
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: 3
=====================================
Write number: 378
Temperature: 1.100000
Total energy: -740.688228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -740.688228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -740.688228 (E_RNA)
where:
Base-Base interactions energy: -387.949
where: short stacking energy: -243.656
Base-Backbone interact. energy: 0.273
local terms energy: -353.012117
where:
bonds (distance) C4'-P energy: -77.265
bonds (distance) P-C4' energy: -84.624
flat angles C4'-P-C4' energy: -95.516
flat angles P-C4'-P energy: -45.516
tors. eta vs tors. theta energy: -50.092
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: 6, replica: 10
=====================================
Write number: 378
Temperature: 1.150000
Total energy: -497.029014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.029014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.029014 (E_RNA)
where:
Base-Base interactions energy: -187.716
where: short stacking energy: -166.776
Base-Backbone interact. energy: -0.894
local terms energy: -308.418951
where:
bonds (distance) C4'-P energy: -83.681
bonds (distance) P-C4' energy: -92.208
flat angles C4'-P-C4' energy: -70.928
flat angles P-C4'-P energy: -42.980
tors. eta vs tors. theta energy: -18.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 378
Temperature: 1.200000
Total energy: -486.603647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -486.603647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -486.603647 (E_RNA)
where:
Base-Base interactions energy: -216.586
where: short stacking energy: -183.286
Base-Backbone interact. energy: -1.109
local terms energy: -268.908257
where:
bonds (distance) C4'-P energy: -71.534
bonds (distance) P-C4' energy: -79.486
flat angles C4'-P-C4' energy: -60.483
flat angles P-C4'-P energy: -40.906
tors. eta vs tors. theta energy: -16.499
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 378
Temperature: 1.250000
Total energy: -415.994453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -415.994453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -415.994453 (E_RNA)
where:
Base-Base interactions energy: -139.525
where: short stacking energy: -127.765
Base-Backbone interact. energy: 0.199
local terms energy: -276.669046
where:
bonds (distance) C4'-P energy: -88.575
bonds (distance) P-C4' energy: -82.617
flat angles C4'-P-C4' energy: -59.831
flat angles P-C4'-P energy: -44.970
tors. eta vs tors. theta energy: -0.675
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: 9, replica: 8
=====================================
Write number: 378
Temperature: 1.300000
Total energy: -393.448868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.448868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -393.448868 (E_RNA)
where:
Base-Base interactions energy: -140.244
where: short stacking energy: -103.701
Base-Backbone interact. energy: -0.017
local terms energy: -253.188100
where:
bonds (distance) C4'-P energy: -85.124
bonds (distance) P-C4' energy: -82.326
flat angles C4'-P-C4' energy: -69.618
flat angles P-C4'-P energy: -39.587
tors. eta vs tors. theta energy: 23.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 378
Temperature: 1.350000
Total energy: -378.823047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -378.823047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -378.823047 (E_RNA)
where:
Base-Base interactions energy: -144.352
where: short stacking energy: -105.529
Base-Backbone interact. energy: -2.741
local terms energy: -231.729898
where:
bonds (distance) C4'-P energy: -80.740
bonds (distance) P-C4' energy: -67.048
flat angles C4'-P-C4' energy: -77.969
flat angles P-C4'-P energy: -29.683
tors. eta vs tors. theta energy: 23.709
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 379
Temperature: 0.900000
Total energy: -1306.075582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1306.075582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1306.075582 (E_RNA)
where:
Base-Base interactions energy: -774.808
where: short stacking energy: -444.389
Base-Backbone interact. energy: -1.554
local terms energy: -529.713941
where:
bonds (distance) C4'-P energy: -95.602
bonds (distance) P-C4' energy: -100.779
flat angles C4'-P-C4' energy: -114.541
flat angles P-C4'-P energy: -80.224
tors. eta vs tors. theta energy: -138.568
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 379
Temperature: 0.950000
Total energy: -1139.923999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1139.923999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1139.923999 (E_RNA)
where:
Base-Base interactions energy: -663.467
where: short stacking energy: -399.689
Base-Backbone interact. energy: -0.190
local terms energy: -476.267156
where:
bonds (distance) C4'-P energy: -92.253
bonds (distance) P-C4' energy: -90.500
flat angles C4'-P-C4' energy: -102.018
flat angles P-C4'-P energy: -67.614
tors. eta vs tors. theta energy: -123.882
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: 7
=====================================
Write number: 379
Temperature: 1.000000
Total energy: -842.389624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -842.389624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -842.389624 (E_RNA)
where:
Base-Base interactions energy: -439.133
where: short stacking energy: -283.869
Base-Backbone interact. energy: -1.096
local terms energy: -402.160709
where:
bonds (distance) C4'-P energy: -76.398
bonds (distance) P-C4' energy: -105.176
flat angles C4'-P-C4' energy: -91.028
flat angles P-C4'-P energy: -53.595
tors. eta vs tors. theta energy: -75.964
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: 3
=====================================
Write number: 379
Temperature: 1.050000
Total energy: -761.927295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -761.927295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -761.927295 (E_RNA)
where:
Base-Base interactions energy: -402.976
where: short stacking energy: -251.563
Base-Backbone interact. energy: -2.234
local terms energy: -356.717467
where:
bonds (distance) C4'-P energy: -81.633
bonds (distance) P-C4' energy: -92.873
flat angles C4'-P-C4' energy: -81.494
flat angles P-C4'-P energy: -52.539
tors. eta vs tors. theta energy: -48.179
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: 379
Temperature: 1.100000
Total energy: -691.413344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -691.413344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -691.413344 (E_RNA)
where:
Base-Base interactions energy: -352.977
where: short stacking energy: -227.099
Base-Backbone interact. energy: 0.495
local terms energy: -338.931098
where:
bonds (distance) C4'-P energy: -80.251
bonds (distance) P-C4' energy: -82.458
flat angles C4'-P-C4' energy: -77.804
flat angles P-C4'-P energy: -56.419
tors. eta vs tors. theta energy: -41.999
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: 5
=====================================
Write number: 379
Temperature: 1.150000
Total energy: -567.867654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -567.867654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -567.867654 (E_RNA)
where:
Base-Base interactions energy: -250.072
where: short stacking energy: -191.895
Base-Backbone interact. energy: -1.390
local terms energy: -316.404933
where:
bonds (distance) C4'-P energy: -79.844
bonds (distance) P-C4' energy: -76.648
flat angles C4'-P-C4' energy: -75.735
flat angles P-C4'-P energy: -58.773
tors. eta vs tors. theta energy: -25.405
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 379
Temperature: 1.200000
Total energy: -450.064551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -450.064551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -450.064551 (E_RNA)
where:
Base-Base interactions energy: -144.137
where: short stacking energy: -133.399
Base-Backbone interact. energy: -1.148
local terms energy: -304.780141
where:
bonds (distance) C4'-P energy: -91.709
bonds (distance) P-C4' energy: -83.531
flat angles C4'-P-C4' energy: -76.472
flat angles P-C4'-P energy: -38.751
tors. eta vs tors. theta energy: -14.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 379
Temperature: 1.250000
Total energy: -411.310142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.310142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.310142 (E_RNA)
where:
Base-Base interactions energy: -139.764
where: short stacking energy: -115.381
Base-Backbone interact. energy: 2.619
local terms energy: -274.165318
where:
bonds (distance) C4'-P energy: -85.771
bonds (distance) P-C4' energy: -87.258
flat angles C4'-P-C4' energy: -58.148
flat angles P-C4'-P energy: -37.560
tors. eta vs tors. theta energy: -5.427
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 379
Temperature: 1.300000
Total energy: -387.333670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -387.333670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -387.333670 (E_RNA)
where:
Base-Base interactions energy: -117.019
where: short stacking energy: -111.701
Base-Backbone interact. energy: -0.219
local terms energy: -270.095843
where:
bonds (distance) C4'-P energy: -77.980
bonds (distance) P-C4' energy: -87.901
flat angles C4'-P-C4' energy: -63.050
flat angles P-C4'-P energy: -51.076
tors. eta vs tors. theta energy: 9.911
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: 9
=====================================
Write number: 379
Temperature: 1.350000
Total energy: -353.655070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.655070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.655070 (E_RNA)
where:
Base-Base interactions energy: -114.754
where: short stacking energy: -100.316
Base-Backbone interact. energy: 0.723
local terms energy: -239.624173
where:
bonds (distance) C4'-P energy: -64.588
bonds (distance) P-C4' energy: -85.429
flat angles C4'-P-C4' energy: -71.363
flat angles P-C4'-P energy: -34.477
tors. eta vs tors. theta energy: 16.233
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: 1, replica: 1
=====================================
Write number: 380
Temperature: 0.900000
Total energy: -1272.266387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1272.266387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1272.266387 (E_RNA)
where:
Base-Base interactions energy: -779.789
where: short stacking energy: -433.984
Base-Backbone interact. energy: -1.863
local terms energy: -490.613447
where:
bonds (distance) C4'-P energy: -80.601
bonds (distance) P-C4' energy: -105.469
flat angles C4'-P-C4' energy: -105.738
flat angles P-C4'-P energy: -62.250
tors. eta vs tors. theta energy: -136.554
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 380
Temperature: 0.950000
Total energy: -1131.655901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1131.655901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1131.655901 (E_RNA)
where:
Base-Base interactions energy: -646.050
where: short stacking energy: -397.724
Base-Backbone interact. energy: 0.341
local terms energy: -485.947113
where:
bonds (distance) C4'-P energy: -98.073
bonds (distance) P-C4' energy: -89.115
flat angles C4'-P-C4' energy: -103.463
flat angles P-C4'-P energy: -69.480
tors. eta vs tors. theta energy: -125.816
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 380
Temperature: 1.000000
Total energy: -847.598305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -847.598305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -847.598305 (E_RNA)
where:
Base-Base interactions energy: -450.116
where: short stacking energy: -292.379
Base-Backbone interact. energy: -1.715
local terms energy: -395.767168
where:
bonds (distance) C4'-P energy: -91.237
bonds (distance) P-C4' energy: -91.292
flat angles C4'-P-C4' energy: -95.585
flat angles P-C4'-P energy: -53.742
tors. eta vs tors. theta energy: -63.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 380
Temperature: 1.050000
Total energy: -811.181695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -811.181695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -811.181695 (E_RNA)
where:
Base-Base interactions energy: -424.546
where: short stacking energy: -264.793
Base-Backbone interact. energy: -1.781
local terms energy: -384.854697
where:
bonds (distance) C4'-P energy: -86.260
bonds (distance) P-C4' energy: -85.529
flat angles C4'-P-C4' energy: -95.007
flat angles P-C4'-P energy: -53.428
tors. eta vs tors. theta energy: -64.632
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 380
Temperature: 1.100000
Total energy: -698.694093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -698.694093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -698.694093 (E_RNA)
where:
Base-Base interactions energy: -364.162
where: short stacking energy: -221.972
Base-Backbone interact. energy: -0.386
local terms energy: -334.145895
where:
bonds (distance) C4'-P energy: -72.264
bonds (distance) P-C4' energy: -92.106
flat angles C4'-P-C4' energy: -82.670
flat angles P-C4'-P energy: -48.331
tors. eta vs tors. theta energy: -38.775
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: 5
=====================================
Write number: 380
Temperature: 1.150000
Total energy: -564.035452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -564.035452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -564.035452 (E_RNA)
where:
Base-Base interactions energy: -240.923
where: short stacking energy: -179.470
Base-Backbone interact. energy: -3.494
local terms energy: -319.618485
where:
bonds (distance) C4'-P energy: -76.699
bonds (distance) P-C4' energy: -88.329
flat angles C4'-P-C4' energy: -78.958
flat angles P-C4'-P energy: -44.915
tors. eta vs tors. theta energy: -30.717
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: 8
=====================================
Write number: 380
Temperature: 1.200000
Total energy: -472.533239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -472.533239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.533239 (E_RNA)
where:
Base-Base interactions energy: -186.501
where: short stacking energy: -163.231
Base-Backbone interact. energy: -1.858
local terms energy: -284.174281
where:
bonds (distance) C4'-P energy: -91.654
bonds (distance) P-C4' energy: -76.255
flat angles C4'-P-C4' energy: -64.837
flat angles P-C4'-P energy: -43.920
tors. eta vs tors. theta energy: -7.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 380
Temperature: 1.250000
Total energy: -405.133510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -405.133510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -405.133510 (E_RNA)
where:
Base-Base interactions energy: -132.439
where: short stacking energy: -111.389
Base-Backbone interact. energy: -1.748
local terms energy: -270.946398
where:
bonds (distance) C4'-P energy: -65.358
bonds (distance) P-C4' energy: -90.967
flat angles C4'-P-C4' energy: -76.833
flat angles P-C4'-P energy: -47.208
tors. eta vs tors. theta energy: 9.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 380
Temperature: 1.300000
Total energy: -358.529731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.529731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.529731 (E_RNA)
where:
Base-Base interactions energy: -110.329
where: short stacking energy: -102.092
Base-Backbone interact. energy: 1.168
local terms energy: -249.369404
where:
bonds (distance) C4'-P energy: -75.738
bonds (distance) P-C4' energy: -80.257
flat angles C4'-P-C4' energy: -67.950
flat angles P-C4'-P energy: -45.163
tors. eta vs tors. theta energy: 19.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 380
Temperature: 1.350000
Total energy: -369.655380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.655380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.655380 (E_RNA)
where:
Base-Base interactions energy: -126.680
where: short stacking energy: -117.247
Base-Backbone interact. energy: 0.976
local terms energy: -243.951585
where:
bonds (distance) C4'-P energy: -73.619
bonds (distance) P-C4' energy: -80.534
flat angles C4'-P-C4' energy: -44.612
flat angles P-C4'-P energy: -37.749
tors. eta vs tors. theta energy: -7.437
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 381
Temperature: 0.900000
Total energy: -1261.426483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1261.426483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1261.426483 (E_RNA)
where:
Base-Base interactions energy: -781.393
where: short stacking energy: -461.328
Base-Backbone interact. energy: -3.080
local terms energy: -476.953242
where:
bonds (distance) C4'-P energy: -86.789
bonds (distance) P-C4' energy: -90.228
flat angles C4'-P-C4' energy: -97.560
flat angles P-C4'-P energy: -63.745
tors. eta vs tors. theta energy: -138.631
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 381
Temperature: 0.950000
Total energy: -1131.763528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1131.763528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1131.763528 (E_RNA)
where:
Base-Base interactions energy: -645.149
where: short stacking energy: -408.322
Base-Backbone interact. energy: -0.455
local terms energy: -486.158951
where:
bonds (distance) C4'-P energy: -85.129
bonds (distance) P-C4' energy: -99.453
flat angles C4'-P-C4' energy: -110.078
flat angles P-C4'-P energy: -74.839
tors. eta vs tors. theta energy: -116.659
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 381
Temperature: 1.000000
Total energy: -849.390163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -849.390163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -849.390163 (E_RNA)
where:
Base-Base interactions energy: -440.840
where: short stacking energy: -273.628
Base-Backbone interact. energy: -1.960
local terms energy: -406.590963
where:
bonds (distance) C4'-P energy: -90.937
bonds (distance) P-C4' energy: -91.204
flat angles C4'-P-C4' energy: -101.949
flat angles P-C4'-P energy: -61.868
tors. eta vs tors. theta energy: -60.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 381
Temperature: 1.050000
Total energy: -808.102114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -808.102114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -808.102114 (E_RNA)
where:
Base-Base interactions energy: -421.818
where: short stacking energy: -253.766
Base-Backbone interact. energy: -1.733
local terms energy: -384.551750
where:
bonds (distance) C4'-P energy: -84.590
bonds (distance) P-C4' energy: -91.854
flat angles C4'-P-C4' energy: -98.157
flat angles P-C4'-P energy: -52.855
tors. eta vs tors. theta energy: -57.096
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: 6
=====================================
Write number: 381
Temperature: 1.100000
Total energy: -716.201186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -716.201186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -716.201186 (E_RNA)
where:
Base-Base interactions energy: -384.669
where: short stacking energy: -237.187
Base-Backbone interact. energy: 2.937
local terms energy: -334.469622
where:
bonds (distance) C4'-P energy: -79.424
bonds (distance) P-C4' energy: -82.949
flat angles C4'-P-C4' energy: -79.518
flat angles P-C4'-P energy: -52.456
tors. eta vs tors. theta energy: -40.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 381
Temperature: 1.150000
Total energy: -479.086957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.086957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -479.086957 (E_RNA)
where:
Base-Base interactions energy: -174.598
where: short stacking energy: -142.656
Base-Backbone interact. energy: -0.397
local terms energy: -304.091918
where:
bonds (distance) C4'-P energy: -96.807
bonds (distance) P-C4' energy: -80.640
flat angles C4'-P-C4' energy: -72.897
flat angles P-C4'-P energy: -48.646
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: 7, replica: 5
=====================================
Write number: 381
Temperature: 1.200000
Total energy: -524.521692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.521692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.521692 (E_RNA)
where:
Base-Base interactions energy: -223.737
where: short stacking energy: -155.347
Base-Backbone interact. energy: -2.319
local terms energy: -298.466252
where:
bonds (distance) C4'-P energy: -79.823
bonds (distance) P-C4' energy: -85.079
flat angles C4'-P-C4' energy: -70.236
flat angles P-C4'-P energy: -39.842
tors. eta vs tors. theta energy: -23.486
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 381
Temperature: 1.250000
Total energy: -459.324426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -459.324426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -459.324426 (E_RNA)
where:
Base-Base interactions energy: -178.783
where: short stacking energy: -165.655
Base-Backbone interact. energy: 2.080
local terms energy: -282.621424
where:
bonds (distance) C4'-P energy: -70.178
bonds (distance) P-C4' energy: -86.200
flat angles C4'-P-C4' energy: -74.377
flat angles P-C4'-P energy: -39.525
tors. eta vs tors. theta energy: -12.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 381
Temperature: 1.300000
Total energy: -375.353195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -375.353195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -375.353195 (E_RNA)
where:
Base-Base interactions energy: -149.936
where: short stacking energy: -112.418
Base-Backbone interact. energy: 2.710
local terms energy: -228.127863
where:
bonds (distance) C4'-P energy: -82.415
bonds (distance) P-C4' energy: -75.789
flat angles C4'-P-C4' energy: -60.710
flat angles P-C4'-P energy: -30.711
tors. eta vs tors. theta energy: 21.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 381
Temperature: 1.350000
Total energy: -338.378102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.378102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.378102 (E_RNA)
where:
Base-Base interactions energy: -110.349
where: short stacking energy: -87.091
Base-Backbone interact. energy: -0.064
local terms energy: -227.965124
where:
bonds (distance) C4'-P energy: -75.079
bonds (distance) P-C4' energy: -76.603
flat angles C4'-P-C4' energy: -46.619
flat angles P-C4'-P energy: -44.153
tors. eta vs tors. theta energy: 14.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 382
Temperature: 0.900000
Total energy: -1286.895184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1286.895184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1286.895184 (E_RNA)
where:
Base-Base interactions energy: -791.711
where: short stacking energy: -450.948
Base-Backbone interact. energy: -1.005
local terms energy: -494.179257
where:
bonds (distance) C4'-P energy: -89.820
bonds (distance) P-C4' energy: -98.453
flat angles C4'-P-C4' energy: -106.713
flat angles P-C4'-P energy: -61.526
tors. eta vs tors. theta energy: -137.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 382
Temperature: 0.950000
Total energy: -1091.991595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1091.991595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1091.991595 (E_RNA)
where:
Base-Base interactions energy: -646.640
where: short stacking energy: -390.192
Base-Backbone interact. energy: 1.119
local terms energy: -446.470713
where:
bonds (distance) C4'-P energy: -75.043
bonds (distance) P-C4' energy: -99.241
flat angles C4'-P-C4' energy: -101.658
flat angles P-C4'-P energy: -57.768
tors. eta vs tors. theta energy: -112.761
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 382
Temperature: 1.000000
Total energy: -907.531825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -907.531825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -907.531825 (E_RNA)
where:
Base-Base interactions energy: -498.248
where: short stacking energy: -316.618
Base-Backbone interact. energy: -2.144
local terms energy: -407.140087
where:
bonds (distance) C4'-P energy: -82.842
bonds (distance) P-C4' energy: -85.937
flat angles C4'-P-C4' energy: -97.557
flat angles P-C4'-P energy: -67.753
tors. eta vs tors. theta energy: -73.050
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 382
Temperature: 1.050000
Total energy: -796.679208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -796.679208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -796.679208 (E_RNA)
where:
Base-Base interactions energy: -416.172
where: short stacking energy: -264.038
Base-Backbone interact. energy: -1.469
local terms energy: -379.037787
where:
bonds (distance) C4'-P energy: -91.090
bonds (distance) P-C4' energy: -92.447
flat angles C4'-P-C4' energy: -86.070
flat angles P-C4'-P energy: -46.249
tors. eta vs tors. theta energy: -63.182
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 382
Temperature: 1.100000
Total energy: -683.053538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -683.053538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -683.053538 (E_RNA)
where:
Base-Base interactions energy: -347.750
where: short stacking energy: -224.218
Base-Backbone interact. energy: 5.544
local terms energy: -340.847353
where:
bonds (distance) C4'-P energy: -82.695
bonds (distance) P-C4' energy: -83.475
flat angles C4'-P-C4' energy: -89.830
flat angles P-C4'-P energy: -56.457
tors. eta vs tors. theta energy: -28.390
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: 8
=====================================
Write number: 382
Temperature: 1.150000
Total energy: -525.427983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.427983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.427983 (E_RNA)
where:
Base-Base interactions energy: -210.054
where: short stacking energy: -143.446
Base-Backbone interact. energy: -1.700
local terms energy: -313.674332
where:
bonds (distance) C4'-P energy: -91.261
bonds (distance) P-C4' energy: -92.553
flat angles C4'-P-C4' energy: -86.658
flat angles P-C4'-P energy: -41.479
tors. eta vs tors. theta energy: -1.724
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 382
Temperature: 1.200000
Total energy: -447.259338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -447.259338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -447.259338 (E_RNA)
where:
Base-Base interactions energy: -160.848
where: short stacking energy: -114.866
Base-Backbone interact. energy: -3.855
local terms energy: -282.556185
where:
bonds (distance) C4'-P energy: -84.407
bonds (distance) P-C4' energy: -80.870
flat angles C4'-P-C4' energy: -67.888
flat angles P-C4'-P energy: -52.116
tors. eta vs tors. theta energy: 2.724
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: 2
=====================================
Write number: 382
Temperature: 1.250000
Total energy: -399.146173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -399.146173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -399.146173 (E_RNA)
where:
Base-Base interactions energy: -150.627
where: short stacking energy: -135.282
Base-Backbone interact. energy: 3.681
local terms energy: -252.199638
where:
bonds (distance) C4'-P energy: -76.500
bonds (distance) P-C4' energy: -75.886
flat angles C4'-P-C4' energy: -50.611
flat angles P-C4'-P energy: -44.894
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: 9, replica: 9
=====================================
Write number: 382
Temperature: 1.300000
Total energy: -400.347264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -400.347264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -400.347264 (E_RNA)
where:
Base-Base interactions energy: -128.274
where: short stacking energy: -98.702
Base-Backbone interact. energy: -1.444
local terms energy: -270.628689
where:
bonds (distance) C4'-P energy: -91.644
bonds (distance) P-C4' energy: -74.229
flat angles C4'-P-C4' energy: -67.136
flat angles P-C4'-P energy: -47.907
tors. eta vs tors. theta energy: 10.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 382
Temperature: 1.350000
Total energy: -348.809699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.809699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.809699 (E_RNA)
where:
Base-Base interactions energy: -118.357
where: short stacking energy: -101.564
Base-Backbone interact. energy: 3.228
local terms energy: -233.680379
where:
bonds (distance) C4'-P energy: -73.331
bonds (distance) P-C4' energy: -80.858
flat angles C4'-P-C4' energy: -53.315
flat angles P-C4'-P energy: -34.765
tors. eta vs tors. theta energy: 8.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 383
Temperature: 0.900000
Total energy: -1287.033164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1287.033164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1287.033164 (E_RNA)
where:
Base-Base interactions energy: -775.996
where: short stacking energy: -444.426
Base-Backbone interact. energy: -2.650
local terms energy: -508.387749
where:
bonds (distance) C4'-P energy: -94.885
bonds (distance) P-C4' energy: -92.239
flat angles C4'-P-C4' energy: -104.470
flat angles P-C4'-P energy: -74.398
tors. eta vs tors. theta energy: -142.395
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 383
Temperature: 0.950000
Total energy: -1146.038615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1146.038615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1146.038615 (E_RNA)
where:
Base-Base interactions energy: -658.689
where: short stacking energy: -396.368
Base-Backbone interact. energy: -0.488
local terms energy: -486.860963
where:
bonds (distance) C4'-P energy: -86.556
bonds (distance) P-C4' energy: -92.030
flat angles C4'-P-C4' energy: -111.468
flat angles P-C4'-P energy: -66.185
tors. eta vs tors. theta energy: -130.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 383
Temperature: 1.000000
Total energy: -882.542127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -882.542127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -882.542127 (E_RNA)
where:
Base-Base interactions energy: -497.699
where: short stacking energy: -296.963
Base-Backbone interact. energy: -0.264
local terms energy: -384.579196
where:
bonds (distance) C4'-P energy: -77.654
bonds (distance) P-C4' energy: -83.401
flat angles C4'-P-C4' energy: -96.299
flat angles P-C4'-P energy: -63.127
tors. eta vs tors. theta energy: -64.097
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: 3
=====================================
Write number: 383
Temperature: 1.050000
Total energy: -790.646784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -790.646784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -790.646784 (E_RNA)
where:
Base-Base interactions energy: -406.340
where: short stacking energy: -286.080
Base-Backbone interact. energy: 1.081
local terms energy: -385.388126
where:
bonds (distance) C4'-P energy: -88.066
bonds (distance) P-C4' energy: -89.298
flat angles C4'-P-C4' energy: -80.585
flat angles P-C4'-P energy: -61.081
tors. eta vs tors. theta energy: -66.358
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 383
Temperature: 1.100000
Total energy: -702.091674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -702.091674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -702.091674 (E_RNA)
where:
Base-Base interactions energy: -325.652
where: short stacking energy: -206.625
Base-Backbone interact. energy: 2.319
local terms energy: -378.758540
where:
bonds (distance) C4'-P energy: -91.643
bonds (distance) P-C4' energy: -88.424
flat angles C4'-P-C4' energy: -88.034
flat angles P-C4'-P energy: -58.539
tors. eta vs tors. theta energy: -52.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 383
Temperature: 1.150000
Total energy: -525.890303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.890303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.890303 (E_RNA)
where:
Base-Base interactions energy: -227.308
where: short stacking energy: -186.982
Base-Backbone interact. energy: 0.133
local terms energy: -298.715652
where:
bonds (distance) C4'-P energy: -61.166
bonds (distance) P-C4' energy: -88.586
flat angles C4'-P-C4' energy: -84.134
flat angles P-C4'-P energy: -50.115
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: 7, replica: 5
=====================================
Write number: 383
Temperature: 1.200000
Total energy: -477.913168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -477.913168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -477.913168 (E_RNA)
where:
Base-Base interactions energy: -177.409
where: short stacking energy: -163.113
Base-Backbone interact. energy: 0.121
local terms energy: -300.625246
where:
bonds (distance) C4'-P energy: -91.616
bonds (distance) P-C4' energy: -85.052
flat angles C4'-P-C4' energy: -70.097
flat angles P-C4'-P energy: -34.821
tors. eta vs tors. theta energy: -19.039
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: 2
=====================================
Write number: 383
Temperature: 1.250000
Total energy: -389.454547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -389.454547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -389.454547 (E_RNA)
where:
Base-Base interactions energy: -142.493
where: short stacking energy: -120.055
Base-Backbone interact. energy: -1.415
local terms energy: -245.546020
where:
bonds (distance) C4'-P energy: -88.491
bonds (distance) P-C4' energy: -70.952
flat angles C4'-P-C4' energy: -69.459
flat angles P-C4'-P energy: -28.719
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: 9, replica: 9
=====================================
Write number: 383
Temperature: 1.300000
Total energy: -364.857910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.857910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.857910 (E_RNA)
where:
Base-Base interactions energy: -126.979
where: short stacking energy: -99.779
Base-Backbone interact. energy: 0.257
local terms energy: -238.135568
where:
bonds (distance) C4'-P energy: -72.281
bonds (distance) P-C4' energy: -79.254
flat angles C4'-P-C4' energy: -78.391
flat angles P-C4'-P energy: -36.271
tors. eta vs tors. theta energy: 28.061
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: 10, replica: 10
=====================================
Write number: 383
Temperature: 1.350000
Total energy: -354.479478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.479478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.479478 (E_RNA)
where:
Base-Base interactions energy: -113.235
where: short stacking energy: -100.138
Base-Backbone interact. energy: -0.653
local terms energy: -240.591826
where:
bonds (distance) C4'-P energy: -74.117
bonds (distance) P-C4' energy: -78.693
flat angles C4'-P-C4' energy: -50.830
flat angles P-C4'-P energy: -39.271
tors. eta vs tors. theta energy: 2.319
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: 1
=====================================
Write number: 384
Temperature: 0.900000
Total energy: -1278.548657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1278.548657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1278.548657 (E_RNA)
where:
Base-Base interactions energy: -787.816
where: short stacking energy: -441.759
Base-Backbone interact. energy: -1.188
local terms energy: -489.544895
where:
bonds (distance) C4'-P energy: -96.275
bonds (distance) P-C4' energy: -92.371
flat angles C4'-P-C4' energy: -102.072
flat angles P-C4'-P energy: -63.720
tors. eta vs tors. theta energy: -135.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 384
Temperature: 0.950000
Total energy: -1142.376847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1142.376847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1142.376847 (E_RNA)
where:
Base-Base interactions energy: -653.233
where: short stacking energy: -389.599
Base-Backbone interact. energy: -1.463
local terms energy: -487.680992
where:
bonds (distance) C4'-P energy: -96.972
bonds (distance) P-C4' energy: -87.134
flat angles C4'-P-C4' energy: -114.983
flat angles P-C4'-P energy: -71.713
tors. eta vs tors. theta energy: -116.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 384
Temperature: 1.000000
Total energy: -885.726365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -885.726365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -885.726365 (E_RNA)
where:
Base-Base interactions energy: -487.197
where: short stacking energy: -300.912
Base-Backbone interact. energy: -0.688
local terms energy: -397.840809
where:
bonds (distance) C4'-P energy: -75.505
bonds (distance) P-C4' energy: -89.703
flat angles C4'-P-C4' energy: -99.989
flat angles P-C4'-P energy: -49.707
tors. eta vs tors. theta energy: -82.936
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 384
Temperature: 1.050000
Total energy: -783.972585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -783.972585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -783.972585 (E_RNA)
where:
Base-Base interactions energy: -387.343
where: short stacking energy: -264.741
Base-Backbone interact. energy: -0.987
local terms energy: -395.642409
where:
bonds (distance) C4'-P energy: -80.089
bonds (distance) P-C4' energy: -98.996
flat angles C4'-P-C4' energy: -86.154
flat angles P-C4'-P energy: -63.604
tors. eta vs tors. theta energy: -66.799
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 384
Temperature: 1.100000
Total energy: -705.474985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -705.474985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -705.474985 (E_RNA)
where:
Base-Base interactions energy: -360.477
where: short stacking energy: -252.486
Base-Backbone interact. energy: -1.829
local terms energy: -343.169090
where:
bonds (distance) C4'-P energy: -81.095
bonds (distance) P-C4' energy: -88.805
flat angles C4'-P-C4' energy: -76.033
flat angles P-C4'-P energy: -47.087
tors. eta vs tors. theta energy: -50.149
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: 8
=====================================
Write number: 384
Temperature: 1.150000
Total energy: -547.606913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.606913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.606913 (E_RNA)
where:
Base-Base interactions energy: -234.657
where: short stacking energy: -176.884
Base-Backbone interact. energy: 0.701
local terms energy: -313.651222
where:
bonds (distance) C4'-P energy: -81.543
bonds (distance) P-C4' energy: -84.286
flat angles C4'-P-C4' energy: -69.072
flat angles P-C4'-P energy: -41.551
tors. eta vs tors. theta energy: -37.200
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: 5
=====================================
Write number: 384
Temperature: 1.200000
Total energy: -452.216369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -452.216369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -452.216369 (E_RNA)
where:
Base-Base interactions energy: -135.399
where: short stacking energy: -124.544
Base-Backbone interact. energy: -0.364
local terms energy: -316.453158
where:
bonds (distance) C4'-P energy: -77.554
bonds (distance) P-C4' energy: -95.737
flat angles C4'-P-C4' energy: -72.959
flat angles P-C4'-P energy: -49.434
tors. eta vs tors. theta energy: -20.770
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 384
Temperature: 1.250000
Total energy: -443.062864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -443.062864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -443.062864 (E_RNA)
where:
Base-Base interactions energy: -173.951
where: short stacking energy: -155.795
Base-Backbone interact. energy: 3.934
local terms energy: -273.045259
where:
bonds (distance) C4'-P energy: -71.483
bonds (distance) P-C4' energy: -83.601
flat angles C4'-P-C4' energy: -68.245
flat angles P-C4'-P energy: -45.004
tors. eta vs tors. theta energy: -4.712
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 384
Temperature: 1.300000
Total energy: -405.251258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -405.251258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -405.251258 (E_RNA)
where:
Base-Base interactions energy: -135.255
where: short stacking energy: -103.592
Base-Backbone interact. energy: -0.527
local terms energy: -269.469417
where:
bonds (distance) C4'-P energy: -88.646
bonds (distance) P-C4' energy: -78.125
flat angles C4'-P-C4' energy: -74.268
flat angles P-C4'-P energy: -36.351
tors. eta vs tors. theta energy: 7.920
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 384
Temperature: 1.350000
Total energy: -350.736903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.736903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.736903 (E_RNA)
where:
Base-Base interactions energy: -123.518
where: short stacking energy: -108.701
Base-Backbone interact. energy: 0.065
local terms energy: -227.283068
where:
bonds (distance) C4'-P energy: -51.430
bonds (distance) P-C4' energy: -83.997
flat angles C4'-P-C4' energy: -65.097
flat angles P-C4'-P energy: -40.996
tors. eta vs tors. theta energy: 14.237
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 385
Temperature: 0.900000
Total energy: -1327.686508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1327.686508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1327.686508 (E_RNA)
where:
Base-Base interactions energy: -827.595
where: short stacking energy: -475.118
Base-Backbone interact. energy: -1.493
local terms energy: -498.598555
where:
bonds (distance) C4'-P energy: -97.786
bonds (distance) P-C4' energy: -87.269
flat angles C4'-P-C4' energy: -103.441
flat angles P-C4'-P energy: -67.779
tors. eta vs tors. theta energy: -142.324
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 385
Temperature: 0.950000
Total energy: -1092.908578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1092.908578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1092.908578 (E_RNA)
where:
Base-Base interactions energy: -641.233
where: short stacking energy: -391.286
Base-Backbone interact. energy: -0.871
local terms energy: -450.804799
where:
bonds (distance) C4'-P energy: -92.109
bonds (distance) P-C4' energy: -92.978
flat angles C4'-P-C4' energy: -91.467
flat angles P-C4'-P energy: -62.284
tors. eta vs tors. theta energy: -111.968
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 385
Temperature: 1.000000
Total energy: -933.643161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -933.643161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -933.643161 (E_RNA)
where:
Base-Base interactions energy: -532.095
where: short stacking energy: -317.775
Base-Backbone interact. energy: -1.679
local terms energy: -399.869143
where:
bonds (distance) C4'-P energy: -84.801
bonds (distance) P-C4' energy: -83.366
flat angles C4'-P-C4' energy: -91.246
flat angles P-C4'-P energy: -59.262
tors. eta vs tors. theta energy: -81.194
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 385
Temperature: 1.050000
Total energy: -750.928829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -750.928829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -750.928829 (E_RNA)
where:
Base-Base interactions energy: -375.399
where: short stacking energy: -250.810
Base-Backbone interact. energy: -0.169
local terms energy: -375.361480
where:
bonds (distance) C4'-P energy: -77.926
bonds (distance) P-C4' energy: -95.994
flat angles C4'-P-C4' energy: -85.780
flat angles P-C4'-P energy: -59.062
tors. eta vs tors. theta energy: -56.599
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 385
Temperature: 1.100000
Total energy: -664.365071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -664.365071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -664.365071 (E_RNA)
where:
Base-Base interactions energy: -330.483
where: short stacking energy: -215.046
Base-Backbone interact. energy: -0.009
local terms energy: -333.872606
where:
bonds (distance) C4'-P energy: -83.818
bonds (distance) P-C4' energy: -88.203
flat angles C4'-P-C4' energy: -74.251
flat angles P-C4'-P energy: -50.015
tors. eta vs tors. theta energy: -37.586
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 385
Temperature: 1.150000
Total energy: -484.536569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -484.536569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -484.536569 (E_RNA)
where:
Base-Base interactions energy: -167.593
where: short stacking energy: -160.524
Base-Backbone interact. energy: -0.642
local terms energy: -316.301569
where:
bonds (distance) C4'-P energy: -78.794
bonds (distance) P-C4' energy: -86.833
flat angles C4'-P-C4' energy: -89.461
flat angles P-C4'-P energy: -45.777
tors. eta vs tors. theta energy: -15.437
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: 8
=====================================
Write number: 385
Temperature: 1.200000
Total energy: -480.279073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -480.279073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -480.279073 (E_RNA)
where:
Base-Base interactions energy: -208.928
where: short stacking energy: -150.776
Base-Backbone interact. energy: -1.341
local terms energy: -270.009597
where:
bonds (distance) C4'-P energy: -74.055
bonds (distance) P-C4' energy: -69.396
flat angles C4'-P-C4' energy: -78.860
flat angles P-C4'-P energy: -42.750
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: 8, replica: 2
=====================================
Write number: 385
Temperature: 1.250000
Total energy: -435.721971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -435.721971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -435.721971 (E_RNA)
where:
Base-Base interactions energy: -171.327
where: short stacking energy: -123.527
Base-Backbone interact. energy: -1.241
local terms energy: -263.153627
where:
bonds (distance) C4'-P energy: -68.031
bonds (distance) P-C4' energy: -79.564
flat angles C4'-P-C4' energy: -76.290
flat angles P-C4'-P energy: -49.270
tors. eta vs tors. theta energy: 10.001
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: 9
=====================================
Write number: 385
Temperature: 1.300000
Total energy: -382.529435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -382.529435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -382.529435 (E_RNA)
where:
Base-Base interactions energy: -134.446
where: short stacking energy: -112.186
Base-Backbone interact. energy: 1.306
local terms energy: -249.390094
where:
bonds (distance) C4'-P energy: -74.209
bonds (distance) P-C4' energy: -62.993
flat angles C4'-P-C4' energy: -79.839
flat angles P-C4'-P energy: -49.950
tors. eta vs tors. theta energy: 17.601
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: 385
Temperature: 1.350000
Total energy: -346.818130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.818130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.818130 (E_RNA)
where:
Base-Base interactions energy: -112.348
where: short stacking energy: -94.851
Base-Backbone interact. energy: -0.046
local terms energy: -234.424383
where:
bonds (distance) C4'-P energy: -89.343
bonds (distance) P-C4' energy: -73.026
flat angles C4'-P-C4' energy: -53.835
flat angles P-C4'-P energy: -29.101
tors. eta vs tors. theta energy: 10.880
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 386
Temperature: 0.900000
Total energy: -1267.027690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1267.027690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1267.027690 (E_RNA)
where:
Base-Base interactions energy: -765.889
where: short stacking energy: -439.832
Base-Backbone interact. energy: -2.273
local terms energy: -498.865269
where:
bonds (distance) C4'-P energy: -85.079
bonds (distance) P-C4' energy: -101.767
flat angles C4'-P-C4' energy: -103.811
flat angles P-C4'-P energy: -68.950
tors. eta vs tors. theta energy: -139.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 386
Temperature: 0.950000
Total energy: -1081.925468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1081.925468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1081.925468 (E_RNA)
where:
Base-Base interactions energy: -619.418
where: short stacking energy: -377.847
Base-Backbone interact. energy: -1.749
local terms energy: -460.758834
where:
bonds (distance) C4'-P energy: -91.398
bonds (distance) P-C4' energy: -96.402
flat angles C4'-P-C4' energy: -98.855
flat angles P-C4'-P energy: -68.321
tors. eta vs tors. theta energy: -105.783
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: 7
=====================================
Write number: 386
Temperature: 1.000000
Total energy: -937.280274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -937.280274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -937.280274 (E_RNA)
where:
Base-Base interactions energy: -527.938
where: short stacking energy: -343.933
Base-Backbone interact. energy: -1.745
local terms energy: -407.597035
where:
bonds (distance) C4'-P energy: -91.107
bonds (distance) P-C4' energy: -91.591
flat angles C4'-P-C4' energy: -90.597
flat angles P-C4'-P energy: -41.374
tors. eta vs tors. theta energy: -92.928
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: 386
Temperature: 1.050000
Total energy: -765.037422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -765.037422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -765.037422 (E_RNA)
where:
Base-Base interactions energy: -385.060
where: short stacking energy: -249.247
Base-Backbone interact. energy: -1.335
local terms energy: -378.642564
where:
bonds (distance) C4'-P energy: -82.721
bonds (distance) P-C4' energy: -88.254
flat angles C4'-P-C4' energy: -92.229
flat angles P-C4'-P energy: -55.430
tors. eta vs tors. theta energy: -60.009
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: 5, replica: 6
=====================================
Write number: 386
Temperature: 1.100000
Total energy: -679.765304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -679.765304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -679.765304 (E_RNA)
where:
Base-Base interactions energy: -326.073
where: short stacking energy: -219.871
Base-Backbone interact. energy: 0.879
local terms energy: -354.570922
where:
bonds (distance) C4'-P energy: -79.585
bonds (distance) P-C4' energy: -81.410
flat angles C4'-P-C4' energy: -90.139
flat angles P-C4'-P energy: -53.936
tors. eta vs tors. theta energy: -49.501
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 386
Temperature: 1.150000
Total energy: -519.628395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.628395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.628395 (E_RNA)
where:
Base-Base interactions energy: -217.218
where: short stacking energy: -159.609
Base-Backbone interact. energy: -1.096
local terms energy: -301.314724
where:
bonds (distance) C4'-P energy: -81.146
bonds (distance) P-C4' energy: -82.469
flat angles C4'-P-C4' energy: -85.673
flat angles P-C4'-P energy: -48.496
tors. eta vs tors. theta energy: -3.529
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 386
Temperature: 1.200000
Total energy: -484.264660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -484.264660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -484.264660 (E_RNA)
where:
Base-Base interactions energy: -191.334
where: short stacking energy: -141.840
Base-Backbone interact. energy: 1.522
local terms energy: -294.452220
where:
bonds (distance) C4'-P energy: -82.638
bonds (distance) P-C4' energy: -76.663
flat angles C4'-P-C4' energy: -82.157
flat angles P-C4'-P energy: -40.658
tors. eta vs tors. theta energy: -12.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 386
Temperature: 1.250000
Total energy: -405.767864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -405.767864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -405.767864 (E_RNA)
where:
Base-Base interactions energy: -143.391
where: short stacking energy: -126.025
Base-Backbone interact. energy: 2.600
local terms energy: -264.976600
where:
bonds (distance) C4'-P energy: -73.174
bonds (distance) P-C4' energy: -79.818
flat angles C4'-P-C4' energy: -64.749
flat angles P-C4'-P energy: -33.845
tors. eta vs tors. theta energy: -13.391
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 386
Temperature: 1.300000
Total energy: -385.067606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -385.067606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -385.067606 (E_RNA)
where:
Base-Base interactions energy: -129.736
where: short stacking energy: -97.451
Base-Backbone interact. energy: 0.066
local terms energy: -255.398338
where:
bonds (distance) C4'-P energy: -71.014
bonds (distance) P-C4' energy: -77.326
flat angles C4'-P-C4' energy: -75.287
flat angles P-C4'-P energy: -40.589
tors. eta vs tors. theta energy: 8.818
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: 10, replica: 9
=====================================
Write number: 386
Temperature: 1.350000
Total energy: -357.267455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.267455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.267455 (E_RNA)
where:
Base-Base interactions energy: -126.196
where: short stacking energy: -117.413
Base-Backbone interact. energy: 4.724
local terms energy: -235.795840
where:
bonds (distance) C4'-P energy: -77.872
bonds (distance) P-C4' energy: -88.068
flat angles C4'-P-C4' energy: -56.850
flat angles P-C4'-P energy: -14.074
tors. eta vs tors. theta energy: 1.068
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 387
Temperature: 0.900000
Total energy: -1267.750731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1267.750731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1267.750731 (E_RNA)
where:
Base-Base interactions energy: -764.844
where: short stacking energy: -436.393
Base-Backbone interact. energy: -2.290
local terms energy: -500.616492
where:
bonds (distance) C4'-P energy: -87.099
bonds (distance) P-C4' energy: -95.808
flat angles C4'-P-C4' energy: -104.482
flat angles P-C4'-P energy: -70.255
tors. eta vs tors. theta energy: -142.972
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: 4
=====================================
Write number: 387
Temperature: 0.950000
Total energy: -1107.019017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1107.019017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1107.019017 (E_RNA)
where:
Base-Base interactions energy: -641.186
where: short stacking energy: -402.124
Base-Backbone interact. energy: -1.933
local terms energy: -463.900721
where:
bonds (distance) C4'-P energy: -85.356
bonds (distance) P-C4' energy: -85.025
flat angles C4'-P-C4' energy: -107.652
flat angles P-C4'-P energy: -70.681
tors. eta vs tors. theta energy: -115.186
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: 7
=====================================
Write number: 387
Temperature: 1.000000
Total energy: -926.914184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -926.914184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -926.914184 (E_RNA)
where:
Base-Base interactions energy: -502.987
where: short stacking energy: -313.165
Base-Backbone interact. energy: -0.040
local terms energy: -423.887648
where:
bonds (distance) C4'-P energy: -71.158
bonds (distance) P-C4' energy: -93.826
flat angles C4'-P-C4' energy: -99.727
flat angles P-C4'-P energy: -71.746
tors. eta vs tors. theta energy: -87.431
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 387
Temperature: 1.050000
Total energy: -759.506175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -759.506175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -759.506175 (E_RNA)
where:
Base-Base interactions energy: -368.266
where: short stacking energy: -262.049
Base-Backbone interact. energy: -0.986
local terms energy: -390.253816
where:
bonds (distance) C4'-P energy: -78.661
bonds (distance) P-C4' energy: -97.989
flat angles C4'-P-C4' energy: -87.971
flat angles P-C4'-P energy: -65.283
tors. eta vs tors. theta energy: -60.349
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 387
Temperature: 1.100000
Total energy: -711.087611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -711.087611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -711.087611 (E_RNA)
where:
Base-Base interactions energy: -371.834
where: short stacking energy: -251.895
Base-Backbone interact. energy: -1.046
local terms energy: -338.207552
where:
bonds (distance) C4'-P energy: -62.898
bonds (distance) P-C4' energy: -80.371
flat angles C4'-P-C4' energy: -94.119
flat angles P-C4'-P energy: -50.290
tors. eta vs tors. theta energy: -50.530
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 387
Temperature: 1.150000
Total energy: -526.324764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.324764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.324764 (E_RNA)
where:
Base-Base interactions energy: -231.238
where: short stacking energy: -148.941
Base-Backbone interact. energy: -0.991
local terms energy: -294.096056
where:
bonds (distance) C4'-P energy: -76.388
bonds (distance) P-C4' energy: -87.536
flat angles C4'-P-C4' energy: -80.301
flat angles P-C4'-P energy: -48.931
tors. eta vs tors. theta energy: -0.941
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: 8
=====================================
Write number: 387
Temperature: 1.200000
Total energy: -465.532762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -465.532762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -465.532762 (E_RNA)
where:
Base-Base interactions energy: -140.711
where: short stacking energy: -137.239
Base-Backbone interact. energy: 0.265
local terms energy: -325.086747
where:
bonds (distance) C4'-P energy: -93.177
bonds (distance) P-C4' energy: -99.654
flat angles C4'-P-C4' energy: -84.874
flat angles P-C4'-P energy: -34.368
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: 8, replica: 2
=====================================
Write number: 387
Temperature: 1.250000
Total energy: -407.828855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.828855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -407.828855 (E_RNA)
where:
Base-Base interactions energy: -157.989
where: short stacking energy: -126.410
Base-Backbone interact. energy: 2.099
local terms energy: -251.939050
where:
bonds (distance) C4'-P energy: -64.064
bonds (distance) P-C4' energy: -83.329
flat angles C4'-P-C4' energy: -74.089
flat angles P-C4'-P energy: -40.492
tors. eta vs tors. theta energy: 10.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 387
Temperature: 1.300000
Total energy: -454.765344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -454.765344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -454.765344 (E_RNA)
where:
Base-Base interactions energy: -201.750
where: short stacking energy: -127.002
Base-Backbone interact. energy: 0.383
local terms energy: -253.398037
where:
bonds (distance) C4'-P energy: -70.957
bonds (distance) P-C4' energy: -64.781
flat angles C4'-P-C4' energy: -61.831
flat angles P-C4'-P energy: -34.531
tors. eta vs tors. theta energy: -21.299
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 387
Temperature: 1.350000
Total energy: -360.372861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.372861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.372861 (E_RNA)
where:
Base-Base interactions energy: -121.769
where: short stacking energy: -114.680
Base-Backbone interact. energy: 1.498
local terms energy: -240.102369
where:
bonds (distance) C4'-P energy: -54.557
bonds (distance) P-C4' energy: -96.513
flat angles C4'-P-C4' energy: -67.714
flat angles P-C4'-P energy: -36.245
tors. eta vs tors. theta energy: 14.926
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: 1
=====================================
Write number: 388
Temperature: 0.900000
Total energy: -1284.702801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1284.702801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1284.702801 (E_RNA)
where:
Base-Base interactions energy: -787.036
where: short stacking energy: -450.372
Base-Backbone interact. energy: -1.962
local terms energy: -495.704737
where:
bonds (distance) C4'-P energy: -91.321
bonds (distance) P-C4' energy: -96.681
flat angles C4'-P-C4' energy: -102.767
flat angles P-C4'-P energy: -70.539
tors. eta vs tors. theta energy: -134.398
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: 2, replica: 4
=====================================
Write number: 388
Temperature: 0.950000
Total energy: -1075.852440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1075.852440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1075.852440 (E_RNA)
where:
Base-Base interactions energy: -610.729
where: short stacking energy: -367.635
Base-Backbone interact. energy: 1.292
local terms energy: -466.415439
where:
bonds (distance) C4'-P energy: -90.105
bonds (distance) P-C4' energy: -97.320
flat angles C4'-P-C4' energy: -105.883
flat angles P-C4'-P energy: -67.952
tors. eta vs tors. theta energy: -105.154
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 388
Temperature: 1.000000
Total energy: -932.710411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -932.710411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -932.710411 (E_RNA)
where:
Base-Base interactions energy: -505.513
where: short stacking energy: -309.230
Base-Backbone interact. energy: -1.336
local terms energy: -425.861118
where:
bonds (distance) C4'-P energy: -81.754
bonds (distance) P-C4' energy: -96.747
flat angles C4'-P-C4' energy: -99.371
flat angles P-C4'-P energy: -53.359
tors. eta vs tors. theta energy: -94.631
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 388
Temperature: 1.050000
Total energy: -741.822724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -741.822724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -741.822724 (E_RNA)
where:
Base-Base interactions energy: -369.576
where: short stacking energy: -238.407
Base-Backbone interact. energy: 0.812
local terms energy: -373.058837
where:
bonds (distance) C4'-P energy: -75.664
bonds (distance) P-C4' energy: -97.045
flat angles C4'-P-C4' energy: -77.065
flat angles P-C4'-P energy: -55.529
tors. eta vs tors. theta energy: -67.756
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: 6
=====================================
Write number: 388
Temperature: 1.100000
Total energy: -750.010333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -750.010333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -750.010333 (E_RNA)
where:
Base-Base interactions energy: -385.480
where: short stacking energy: -238.082
Base-Backbone interact. energy: -0.300
local terms energy: -364.230526
where:
bonds (distance) C4'-P energy: -81.510
bonds (distance) P-C4' energy: -94.634
flat angles C4'-P-C4' energy: -82.675
flat angles P-C4'-P energy: -46.733
tors. eta vs tors. theta energy: -58.679
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: 5
=====================================
Write number: 388
Temperature: 1.150000
Total energy: -548.550759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.550759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.550759 (E_RNA)
where:
Base-Base interactions energy: -232.112
where: short stacking energy: -181.513
Base-Backbone interact. energy: -0.305
local terms energy: -316.133774
where:
bonds (distance) C4'-P energy: -78.467
bonds (distance) P-C4' energy: -87.954
flat angles C4'-P-C4' energy: -64.486
flat angles P-C4'-P energy: -55.790
tors. eta vs tors. theta energy: -29.436
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: 8
=====================================
Write number: 388
Temperature: 1.200000
Total energy: -440.652022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -440.652022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -440.652022 (E_RNA)
where:
Base-Base interactions energy: -157.814
where: short stacking energy: -146.082
Base-Backbone interact. energy: 5.013
local terms energy: -287.851237
where:
bonds (distance) C4'-P energy: -82.440
bonds (distance) P-C4' energy: -90.404
flat angles C4'-P-C4' energy: -67.632
flat angles P-C4'-P energy: -43.121
tors. eta vs tors. theta energy: -4.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 388
Temperature: 1.250000
Total energy: -435.852469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -435.852469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -435.852469 (E_RNA)
where:
Base-Base interactions energy: -147.821
where: short stacking energy: -138.061
Base-Backbone interact. energy: -0.427
local terms energy: -287.604255
where:
bonds (distance) C4'-P energy: -91.795
bonds (distance) P-C4' energy: -93.127
flat angles C4'-P-C4' energy: -60.365
flat angles P-C4'-P energy: -41.549
tors. eta vs tors. theta energy: -0.767
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 388
Temperature: 1.300000
Total energy: -392.700667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.700667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -392.700667 (E_RNA)
where:
Base-Base interactions energy: -140.182
where: short stacking energy: -120.705
Base-Backbone interact. energy: -1.087
local terms energy: -251.431591
where:
bonds (distance) C4'-P energy: -89.153
bonds (distance) P-C4' energy: -75.413
flat angles C4'-P-C4' energy: -63.737
flat angles P-C4'-P energy: -30.779
tors. eta vs tors. theta energy: 7.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 388
Temperature: 1.350000
Total energy: -347.112324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.112324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.112324 (E_RNA)
where:
Base-Base interactions energy: -103.056
where: short stacking energy: -92.095
Base-Backbone interact. energy: -2.589
local terms energy: -241.467445
where:
bonds (distance) C4'-P energy: -72.228
bonds (distance) P-C4' energy: -78.793
flat angles C4'-P-C4' energy: -67.803
flat angles P-C4'-P energy: -44.638
tors. eta vs tors. theta energy: 21.994
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 389
Temperature: 0.900000
Total energy: -1313.386118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1313.386118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1313.386118 (E_RNA)
where:
Base-Base interactions energy: -810.489
where: short stacking energy: -468.074
Base-Backbone interact. energy: -1.066
local terms energy: -501.830900
where:
bonds (distance) C4'-P energy: -85.826
bonds (distance) P-C4' energy: -91.615
flat angles C4'-P-C4' energy: -108.012
flat angles P-C4'-P energy: -73.477
tors. eta vs tors. theta energy: -142.901
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 389
Temperature: 0.950000
Total energy: -1146.736182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1146.736182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1146.736182 (E_RNA)
where:
Base-Base interactions energy: -680.587
where: short stacking energy: -417.050
Base-Backbone interact. energy: -0.515
local terms energy: -465.634867
where:
bonds (distance) C4'-P energy: -84.941
bonds (distance) P-C4' energy: -101.940
flat angles C4'-P-C4' energy: -99.835
flat angles P-C4'-P energy: -60.967
tors. eta vs tors. theta energy: -117.953
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 389
Temperature: 1.000000
Total energy: -952.959628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -952.959628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -952.959628 (E_RNA)
where:
Base-Base interactions energy: -536.906
where: short stacking energy: -337.997
Base-Backbone interact. energy: -1.566
local terms energy: -414.487784
where:
bonds (distance) C4'-P energy: -92.210
bonds (distance) P-C4' energy: -85.858
flat angles C4'-P-C4' energy: -93.901
flat angles P-C4'-P energy: -53.439
tors. eta vs tors. theta energy: -89.079
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: 389
Temperature: 1.050000
Total energy: -810.013280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -810.013280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -810.013280 (E_RNA)
where:
Base-Base interactions energy: -423.030
where: short stacking energy: -289.505
Base-Backbone interact. energy: -0.554
local terms energy: -386.428700
where:
bonds (distance) C4'-P energy: -81.816
bonds (distance) P-C4' energy: -83.752
flat angles C4'-P-C4' energy: -86.817
flat angles P-C4'-P energy: -63.069
tors. eta vs tors. theta energy: -70.975
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 389
Temperature: 1.100000
Total energy: -706.590847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -706.590847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -706.590847 (E_RNA)
where:
Base-Base interactions energy: -347.072
where: short stacking energy: -252.351
Base-Backbone interact. energy: -0.516
local terms energy: -359.002879
where:
bonds (distance) C4'-P energy: -83.556
bonds (distance) P-C4' energy: -84.577
flat angles C4'-P-C4' energy: -75.545
flat angles P-C4'-P energy: -67.328
tors. eta vs tors. theta energy: -47.996
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: 8
=====================================
Write number: 389
Temperature: 1.150000
Total energy: -517.603252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.603252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.603252 (E_RNA)
where:
Base-Base interactions energy: -201.922
where: short stacking energy: -188.167
Base-Backbone interact. energy: -2.733
local terms energy: -312.947879
where:
bonds (distance) C4'-P energy: -71.070
bonds (distance) P-C4' energy: -87.094
flat angles C4'-P-C4' energy: -77.773
flat angles P-C4'-P energy: -44.727
tors. eta vs tors. theta energy: -32.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 389
Temperature: 1.200000
Total energy: -500.547634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.547634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.547634 (E_RNA)
where:
Base-Base interactions energy: -212.357
where: short stacking energy: -162.134
Base-Backbone interact. energy: -0.663
local terms energy: -287.527634
where:
bonds (distance) C4'-P energy: -65.514
bonds (distance) P-C4' energy: -74.580
flat angles C4'-P-C4' energy: -93.879
flat angles P-C4'-P energy: -52.663
tors. eta vs tors. theta energy: -0.892
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: 8, replica: 2
=====================================
Write number: 389
Temperature: 1.250000
Total energy: -429.034860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -429.034860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -429.034860 (E_RNA)
where:
Base-Base interactions energy: -175.611
where: short stacking energy: -142.359
Base-Backbone interact. energy: -1.342
local terms energy: -252.082309
where:
bonds (distance) C4'-P energy: -76.499
bonds (distance) P-C4' energy: -81.591
flat angles C4'-P-C4' energy: -59.170
flat angles P-C4'-P energy: -45.851
tors. eta vs tors. theta energy: 11.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 389
Temperature: 1.300000
Total energy: -360.726341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.726341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.726341 (E_RNA)
where:
Base-Base interactions energy: -110.742
where: short stacking energy: -97.678
Base-Backbone interact. energy: 2.380
local terms energy: -252.364498
where:
bonds (distance) C4'-P energy: -67.387
bonds (distance) P-C4' energy: -77.603
flat angles C4'-P-C4' energy: -69.472
flat angles P-C4'-P energy: -34.557
tors. eta vs tors. theta energy: -3.346
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: 10
=====================================
Write number: 389
Temperature: 1.350000
Total energy: -354.834320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.834320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.834320 (E_RNA)
where:
Base-Base interactions energy: -98.056
where: short stacking energy: -95.373
Base-Backbone interact. energy: 0.149
local terms energy: -256.927742
where:
bonds (distance) C4'-P energy: -63.647
bonds (distance) P-C4' energy: -84.909
flat angles C4'-P-C4' energy: -73.947
flat angles P-C4'-P energy: -48.408
tors. eta vs tors. theta energy: 13.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 390
Temperature: 0.900000
Total energy: -1291.749304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1291.749304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1291.749304 (E_RNA)
where:
Base-Base interactions energy: -799.370
where: short stacking energy: -455.721
Base-Backbone interact. energy: -1.403
local terms energy: -490.977049
where:
bonds (distance) C4'-P energy: -87.227
bonds (distance) P-C4' energy: -89.972
flat angles C4'-P-C4' energy: -113.413
flat angles P-C4'-P energy: -60.721
tors. eta vs tors. theta energy: -139.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 390
Temperature: 0.950000
Total energy: -1110.886016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1110.886016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1110.886016 (E_RNA)
where:
Base-Base interactions energy: -655.924
where: short stacking energy: -404.848
Base-Backbone interact. energy: -0.346
local terms energy: -454.616558
where:
bonds (distance) C4'-P energy: -87.144
bonds (distance) P-C4' energy: -86.979
flat angles C4'-P-C4' energy: -99.050
flat angles P-C4'-P energy: -63.400
tors. eta vs tors. theta energy: -118.044
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 390
Temperature: 1.000000
Total energy: -958.309388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -958.309388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -958.309388 (E_RNA)
where:
Base-Base interactions energy: -549.840
where: short stacking energy: -337.117
Base-Backbone interact. energy: -1.176
local terms energy: -407.292807
where:
bonds (distance) C4'-P energy: -83.994
bonds (distance) P-C4' energy: -90.906
flat angles C4'-P-C4' energy: -83.605
flat angles P-C4'-P energy: -55.794
tors. eta vs tors. theta energy: -92.995
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 390
Temperature: 1.050000
Total energy: -770.762721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -770.762721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -770.762721 (E_RNA)
where:
Base-Base interactions energy: -400.621
where: short stacking energy: -255.037
Base-Backbone interact. energy: -2.286
local terms energy: -367.856399
where:
bonds (distance) C4'-P energy: -98.371
bonds (distance) P-C4' energy: -84.633
flat angles C4'-P-C4' energy: -79.927
flat angles P-C4'-P energy: -48.410
tors. eta vs tors. theta energy: -56.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 390
Temperature: 1.100000
Total energy: -679.975071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -679.975071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -679.975071 (E_RNA)
where:
Base-Base interactions energy: -348.166
where: short stacking energy: -227.490
Base-Backbone interact. energy: -2.087
local terms energy: -329.721998
where:
bonds (distance) C4'-P energy: -75.542
bonds (distance) P-C4' energy: -86.145
flat angles C4'-P-C4' energy: -74.747
flat angles P-C4'-P energy: -50.118
tors. eta vs tors. theta energy: -43.170
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 390
Temperature: 1.150000
Total energy: -511.096429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.096429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.096429 (E_RNA)
where:
Base-Base interactions energy: -197.258
where: short stacking energy: -162.312
Base-Backbone interact. energy: 0.298
local terms energy: -314.136669
where:
bonds (distance) C4'-P energy: -87.746
bonds (distance) P-C4' energy: -85.484
flat angles C4'-P-C4' energy: -90.976
flat angles P-C4'-P energy: -35.443
tors. eta vs tors. theta energy: -14.488
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 390
Temperature: 1.200000
Total energy: -442.639844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -442.639844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -442.639844 (E_RNA)
where:
Base-Base interactions energy: -170.455
where: short stacking energy: -127.363
Base-Backbone interact. energy: -1.676
local terms energy: -270.508866
where:
bonds (distance) C4'-P energy: -83.359
bonds (distance) P-C4' energy: -80.057
flat angles C4'-P-C4' energy: -68.830
flat angles P-C4'-P energy: -32.236
tors. eta vs tors. theta energy: -6.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 390
Temperature: 1.250000
Total energy: -407.765715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.765715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -407.765715 (E_RNA)
where:
Base-Base interactions energy: -139.406
where: short stacking energy: -113.369
Base-Backbone interact. energy: -0.159
local terms energy: -268.201135
where:
bonds (distance) C4'-P energy: -80.603
bonds (distance) P-C4' energy: -76.565
flat angles C4'-P-C4' energy: -80.966
flat angles P-C4'-P energy: -44.668
tors. eta vs tors. theta energy: 14.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 390
Temperature: 1.300000
Total energy: -391.795256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.795256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -391.795256 (E_RNA)
where:
Base-Base interactions energy: -120.432
where: short stacking energy: -108.498
Base-Backbone interact. energy: -0.207
local terms energy: -271.155820
where:
bonds (distance) C4'-P energy: -81.130
bonds (distance) P-C4' energy: -89.857
flat angles C4'-P-C4' energy: -65.357
flat angles P-C4'-P energy: -34.107
tors. eta vs tors. theta energy: -0.704
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 390
Temperature: 1.350000
Total energy: -357.531175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.531175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.531175 (E_RNA)
where:
Base-Base interactions energy: -101.157
where: short stacking energy: -85.408
Base-Backbone interact. energy: 0.337
local terms energy: -256.711328
where:
bonds (distance) C4'-P energy: -87.349
bonds (distance) P-C4' energy: -82.457
flat angles C4'-P-C4' energy: -69.408
flat angles P-C4'-P energy: -30.962
tors. eta vs tors. theta energy: 13.465
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: 391
Temperature: 0.900000
Total energy: -1305.656610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1305.656610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1305.656610 (E_RNA)
where:
Base-Base interactions energy: -797.641
where: short stacking energy: -439.697
Base-Backbone interact. energy: -0.621
local terms energy: -507.394339
where:
bonds (distance) C4'-P energy: -89.954
bonds (distance) P-C4' energy: -97.833
flat angles C4'-P-C4' energy: -112.306
flat angles P-C4'-P energy: -71.974
tors. eta vs tors. theta energy: -135.328
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: 391
Temperature: 0.950000
Total energy: -1106.620253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1106.620253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1106.620253 (E_RNA)
where:
Base-Base interactions energy: -647.742
where: short stacking energy: -396.000
Base-Backbone interact. energy: -1.418
local terms energy: -457.460340
where:
bonds (distance) C4'-P energy: -84.402
bonds (distance) P-C4' energy: -89.868
flat angles C4'-P-C4' energy: -100.023
flat angles P-C4'-P energy: -68.673
tors. eta vs tors. theta energy: -114.494
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 391
Temperature: 1.000000
Total energy: -916.262204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -916.262204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -916.262204 (E_RNA)
where:
Base-Base interactions energy: -498.885
where: short stacking energy: -325.988
Base-Backbone interact. energy: -0.533
local terms energy: -416.844711
where:
bonds (distance) C4'-P energy: -94.508
bonds (distance) P-C4' energy: -93.242
flat angles C4'-P-C4' energy: -92.332
flat angles P-C4'-P energy: -56.867
tors. eta vs tors. theta energy: -79.896
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: 3
=====================================
Write number: 391
Temperature: 1.050000
Total energy: -785.220263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -785.220263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -785.220263 (E_RNA)
where:
Base-Base interactions energy: -412.065
where: short stacking energy: -277.168
Base-Backbone interact. energy: 0.152
local terms energy: -373.306969
where:
bonds (distance) C4'-P energy: -86.268
bonds (distance) P-C4' energy: -80.668
flat angles C4'-P-C4' energy: -90.559
flat angles P-C4'-P energy: -62.391
tors. eta vs tors. theta energy: -53.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 391
Temperature: 1.100000
Total energy: -712.603910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -712.603910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -712.603910 (E_RNA)
where:
Base-Base interactions energy: -342.640
where: short stacking energy: -225.303
Base-Backbone interact. energy: -1.639
local terms energy: -368.324884
where:
bonds (distance) C4'-P energy: -75.184
bonds (distance) P-C4' energy: -99.528
flat angles C4'-P-C4' energy: -79.943
flat angles P-C4'-P energy: -55.853
tors. eta vs tors. theta energy: -57.817
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: 5
=====================================
Write number: 391
Temperature: 1.150000
Total energy: -507.121774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.121774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.121774 (E_RNA)
where:
Base-Base interactions energy: -194.396
where: short stacking energy: -174.808
Base-Backbone interact. energy: -1.125
local terms energy: -311.600335
where:
bonds (distance) C4'-P energy: -68.745
bonds (distance) P-C4' energy: -96.188
flat angles C4'-P-C4' energy: -74.914
flat angles P-C4'-P energy: -55.276
tors. eta vs tors. theta energy: -16.478
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: 8
=====================================
Write number: 391
Temperature: 1.200000
Total energy: -463.993503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -463.993503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -463.993503 (E_RNA)
where:
Base-Base interactions energy: -167.719
where: short stacking energy: -118.829
Base-Backbone interact. energy: 2.622
local terms energy: -298.896397
where:
bonds (distance) C4'-P energy: -78.703
bonds (distance) P-C4' energy: -88.359
flat angles C4'-P-C4' energy: -83.668
flat angles P-C4'-P energy: -48.446
tors. eta vs tors. theta energy: 0.279
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: 8, replica: 9
=====================================
Write number: 391
Temperature: 1.250000
Total energy: -408.605749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -408.605749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -408.605749 (E_RNA)
where:
Base-Base interactions energy: -126.563
where: short stacking energy: -108.947
Base-Backbone interact. energy: 1.711
local terms energy: -283.753835
where:
bonds (distance) C4'-P energy: -97.607
bonds (distance) P-C4' energy: -84.093
flat angles C4'-P-C4' energy: -73.036
flat angles P-C4'-P energy: -29.621
tors. eta vs tors. theta energy: 0.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 391
Temperature: 1.300000
Total energy: -379.484168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -379.484168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -379.484168 (E_RNA)
where:
Base-Base interactions energy: -137.096
where: short stacking energy: -129.466
Base-Backbone interact. energy: 2.537
local terms energy: -244.924901
where:
bonds (distance) C4'-P energy: -51.472
bonds (distance) P-C4' energy: -69.990
flat angles C4'-P-C4' energy: -88.098
flat angles P-C4'-P energy: -36.786
tors. eta vs tors. theta energy: 1.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 391
Temperature: 1.350000
Total energy: -355.263196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.263196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.263196 (E_RNA)
where:
Base-Base interactions energy: -127.115
where: short stacking energy: -113.740
Base-Backbone interact. energy: 7.323
local terms energy: -235.471376
where:
bonds (distance) C4'-P energy: -56.708
bonds (distance) P-C4' energy: -85.377
flat angles C4'-P-C4' energy: -69.156
flat angles P-C4'-P energy: -27.678
tors. eta vs tors. theta energy: 3.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 392
Temperature: 0.900000
Total energy: -1322.276271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1322.276271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1322.276271 (E_RNA)
where:
Base-Base interactions energy: -803.003
where: short stacking energy: -453.432
Base-Backbone interact. energy: 1.950
local terms energy: -521.223644
where:
bonds (distance) C4'-P energy: -93.924
bonds (distance) P-C4' energy: -99.941
flat angles C4'-P-C4' energy: -106.727
flat angles P-C4'-P energy: -78.121
tors. eta vs tors. theta energy: -142.510
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: 392
Temperature: 0.950000
Total energy: -1126.561834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1126.561834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1126.561834 (E_RNA)
where:
Base-Base interactions energy: -648.610
where: short stacking energy: -404.826
Base-Backbone interact. energy: 0.643
local terms energy: -478.594780
where:
bonds (distance) C4'-P energy: -94.071
bonds (distance) P-C4' energy: -106.171
flat angles C4'-P-C4' energy: -99.160
flat angles P-C4'-P energy: -58.826
tors. eta vs tors. theta energy: -120.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 392
Temperature: 1.000000
Total energy: -939.057197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -939.057197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -939.057197 (E_RNA)
where:
Base-Base interactions energy: -504.738
where: short stacking energy: -329.887
Base-Backbone interact. energy: -0.442
local terms energy: -433.876818
where:
bonds (distance) C4'-P energy: -87.750
bonds (distance) P-C4' energy: -92.849
flat angles C4'-P-C4' energy: -94.266
flat angles P-C4'-P energy: -65.900
tors. eta vs tors. theta energy: -93.111
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 392
Temperature: 1.050000
Total energy: -758.257647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -758.257647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -758.257647 (E_RNA)
where:
Base-Base interactions energy: -364.307
where: short stacking energy: -230.118
Base-Backbone interact. energy: -1.625
local terms energy: -392.325706
where:
bonds (distance) C4'-P energy: -88.583
bonds (distance) P-C4' energy: -91.694
flat angles C4'-P-C4' energy: -94.410
flat angles P-C4'-P energy: -67.398
tors. eta vs tors. theta energy: -50.240
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 392
Temperature: 1.100000
Total energy: -685.344476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -685.344476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -685.344476 (E_RNA)
where:
Base-Base interactions energy: -332.790
where: short stacking energy: -225.187
Base-Backbone interact. energy: 1.742
local terms energy: -354.297279
where:
bonds (distance) C4'-P energy: -90.909
bonds (distance) P-C4' energy: -81.482
flat angles C4'-P-C4' energy: -74.946
flat angles P-C4'-P energy: -57.943
tors. eta vs tors. theta energy: -49.017
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: 6, replica: 5
=====================================
Write number: 392
Temperature: 1.150000
Total energy: -487.453498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.453498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.453498 (E_RNA)
where:
Base-Base interactions energy: -164.048
where: short stacking energy: -151.250
Base-Backbone interact. energy: 1.678
local terms energy: -325.083048
where:
bonds (distance) C4'-P energy: -78.801
bonds (distance) P-C4' energy: -87.811
flat angles C4'-P-C4' energy: -85.524
flat angles P-C4'-P energy: -56.286
tors. eta vs tors. theta energy: -16.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 392
Temperature: 1.200000
Total energy: -489.724308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -489.724308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -489.724308 (E_RNA)
where:
Base-Base interactions energy: -179.002
where: short stacking energy: -171.852
Base-Backbone interact. energy: -0.364
local terms energy: -310.358200
where:
bonds (distance) C4'-P energy: -71.854
bonds (distance) P-C4' energy: -90.341
flat angles C4'-P-C4' energy: -91.871
flat angles P-C4'-P energy: -43.715
tors. eta vs tors. theta energy: -12.577
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 392
Temperature: 1.250000
Total energy: -423.686913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -423.686913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -423.686913 (E_RNA)
where:
Base-Base interactions energy: -167.096
where: short stacking energy: -159.834
Base-Backbone interact. energy: 0.308
local terms energy: -256.898389
where:
bonds (distance) C4'-P energy: -77.737
bonds (distance) P-C4' energy: -63.158
flat angles C4'-P-C4' energy: -64.978
flat angles P-C4'-P energy: -44.516
tors. eta vs tors. theta energy: -6.509
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: 10
=====================================
Write number: 392
Temperature: 1.300000
Total energy: -377.414395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -377.414395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -377.414395 (E_RNA)
where:
Base-Base interactions energy: -120.981
where: short stacking energy: -107.165
Base-Backbone interact. energy: 2.144
local terms energy: -258.577314
where:
bonds (distance) C4'-P energy: -79.120
bonds (distance) P-C4' energy: -79.470
flat angles C4'-P-C4' energy: -65.679
flat angles P-C4'-P energy: -39.205
tors. eta vs tors. theta energy: 4.897
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: 10, replica: 2
=====================================
Write number: 392
Temperature: 1.350000
Total energy: -353.437991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.437991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.437991 (E_RNA)
where:
Base-Base interactions energy: -100.464
where: short stacking energy: -83.026
Base-Backbone interact. energy: -0.731
local terms energy: -252.242733
where:
bonds (distance) C4'-P energy: -80.208
bonds (distance) P-C4' energy: -76.464
flat angles C4'-P-C4' energy: -74.930
flat angles P-C4'-P energy: -39.571
tors. eta vs tors. theta energy: 18.930
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 393
Temperature: 0.900000
Total energy: -1260.052930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1260.052930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1260.052930 (E_RNA)
where:
Base-Base interactions energy: -765.870
where: short stacking energy: -442.353
Base-Backbone interact. energy: -1.008
local terms energy: -493.174881
where:
bonds (distance) C4'-P energy: -86.612
bonds (distance) P-C4' energy: -93.574
flat angles C4'-P-C4' energy: -107.666
flat angles P-C4'-P energy: -76.046
tors. eta vs tors. theta energy: -129.277
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 393
Temperature: 0.950000
Total energy: -1116.201998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1116.201998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1116.201998 (E_RNA)
where:
Base-Base interactions energy: -644.424
where: short stacking energy: -384.607
Base-Backbone interact. energy: -1.276
local terms energy: -470.501312
where:
bonds (distance) C4'-P energy: -94.040
bonds (distance) P-C4' energy: -98.889
flat angles C4'-P-C4' energy: -97.419
flat angles P-C4'-P energy: -69.343
tors. eta vs tors. theta energy: -110.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 393
Temperature: 1.000000
Total energy: -926.160864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -926.160864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -926.160864 (E_RNA)
where:
Base-Base interactions energy: -501.312
where: short stacking energy: -322.763
Base-Backbone interact. energy: -1.258
local terms energy: -423.590128
where:
bonds (distance) C4'-P energy: -101.954
bonds (distance) P-C4' energy: -103.502
flat angles C4'-P-C4' energy: -68.742
flat angles P-C4'-P energy: -57.761
tors. eta vs tors. theta energy: -91.630
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: 393
Temperature: 1.050000
Total energy: -750.099366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -750.099366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -750.099366 (E_RNA)
where:
Base-Base interactions energy: -356.723
where: short stacking energy: -242.468
Base-Backbone interact. energy: 1.137
local terms energy: -394.513424
where:
bonds (distance) C4'-P energy: -91.780
bonds (distance) P-C4' energy: -93.934
flat angles C4'-P-C4' energy: -97.014
flat angles P-C4'-P energy: -56.512
tors. eta vs tors. theta energy: -55.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 393
Temperature: 1.100000
Total energy: -697.242705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -697.242705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -697.242705 (E_RNA)
where:
Base-Base interactions energy: -355.109
where: short stacking energy: -226.942
Base-Backbone interact. energy: 3.177
local terms energy: -345.310854
where:
bonds (distance) C4'-P energy: -72.622
bonds (distance) P-C4' energy: -94.870
flat angles C4'-P-C4' energy: -82.422
flat angles P-C4'-P energy: -50.425
tors. eta vs tors. theta energy: -44.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 393
Temperature: 1.150000
Total energy: -496.235023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.235023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.235023 (E_RNA)
where:
Base-Base interactions energy: -192.464
where: short stacking energy: -165.457
Base-Backbone interact. energy: 3.799
local terms energy: -307.570436
where:
bonds (distance) C4'-P energy: -88.242
bonds (distance) P-C4' energy: -91.904
flat angles C4'-P-C4' energy: -75.852
flat angles P-C4'-P energy: -54.251
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: 7, replica: 5
=====================================
Write number: 393
Temperature: 1.200000
Total energy: -479.441718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.441718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -479.441718 (E_RNA)
where:
Base-Base interactions energy: -163.877
where: short stacking energy: -155.253
Base-Backbone interact. energy: -1.184
local terms energy: -314.381201
where:
bonds (distance) C4'-P energy: -86.060
bonds (distance) P-C4' energy: -89.614
flat angles C4'-P-C4' energy: -65.959
flat angles P-C4'-P energy: -48.353
tors. eta vs tors. theta energy: -24.395
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: 10
=====================================
Write number: 393
Temperature: 1.250000
Total energy: -432.802773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -432.802773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -432.802773 (E_RNA)
where:
Base-Base interactions energy: -151.714
where: short stacking energy: -127.077
Base-Backbone interact. energy: 1.074
local terms energy: -282.162775
where:
bonds (distance) C4'-P energy: -83.221
bonds (distance) P-C4' energy: -87.972
flat angles C4'-P-C4' energy: -63.440
flat angles P-C4'-P energy: -45.246
tors. eta vs tors. theta energy: -2.284
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: 9
=====================================
Write number: 393
Temperature: 1.300000
Total energy: -362.679133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.679133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.679133 (E_RNA)
where:
Base-Base interactions energy: -97.334
where: short stacking energy: -91.066
Base-Backbone interact. energy: 0.607
local terms energy: -265.952666
where:
bonds (distance) C4'-P energy: -77.392
bonds (distance) P-C4' energy: -71.778
flat angles C4'-P-C4' energy: -70.356
flat angles P-C4'-P energy: -43.691
tors. eta vs tors. theta energy: -2.735
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 393
Temperature: 1.350000
Total energy: -367.251542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.251542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.251542 (E_RNA)
where:
Base-Base interactions energy: -108.711
where: short stacking energy: -85.480
Base-Backbone interact. energy: 0.142
local terms energy: -258.682248
where:
bonds (distance) C4'-P energy: -79.073
bonds (distance) P-C4' energy: -84.237
flat angles C4'-P-C4' energy: -65.823
flat angles P-C4'-P energy: -46.998
tors. eta vs tors. theta energy: 17.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 394
Temperature: 0.900000
Total energy: -1273.040587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1273.040587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1273.040587 (E_RNA)
where:
Base-Base interactions energy: -775.361
where: short stacking energy: -434.900
Base-Backbone interact. energy: -2.012
local terms energy: -495.668222
where:
bonds (distance) C4'-P energy: -92.002
bonds (distance) P-C4' energy: -93.067
flat angles C4'-P-C4' energy: -106.646
flat angles P-C4'-P energy: -74.444
tors. eta vs tors. theta energy: -129.511
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 394
Temperature: 0.950000
Total energy: -1095.797231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1095.797231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1095.797231 (E_RNA)
where:
Base-Base interactions energy: -633.835
where: short stacking energy: -386.570
Base-Backbone interact. energy: -0.263
local terms energy: -461.698828
where:
bonds (distance) C4'-P energy: -95.700
bonds (distance) P-C4' energy: -95.190
flat angles C4'-P-C4' energy: -92.734
flat angles P-C4'-P energy: -61.821
tors. eta vs tors. theta energy: -116.253
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: 3, replica: 7
=====================================
Write number: 394
Temperature: 1.000000
Total energy: -967.733429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -967.733429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -967.733429 (E_RNA)
where:
Base-Base interactions energy: -555.741
where: short stacking energy: -328.371
Base-Backbone interact. energy: 0.371
local terms energy: -412.363953
where:
bonds (distance) C4'-P energy: -75.100
bonds (distance) P-C4' energy: -101.456
flat angles C4'-P-C4' energy: -96.195
flat angles P-C4'-P energy: -59.379
tors. eta vs tors. theta energy: -80.233
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: 394
Temperature: 1.050000
Total energy: -776.655493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -776.655493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -776.655493 (E_RNA)
where:
Base-Base interactions energy: -389.435
where: short stacking energy: -246.360
Base-Backbone interact. energy: -1.759
local terms energy: -385.462094
where:
bonds (distance) C4'-P energy: -88.639
bonds (distance) P-C4' energy: -91.241
flat angles C4'-P-C4' energy: -84.605
flat angles P-C4'-P energy: -56.702
tors. eta vs tors. theta energy: -64.275
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 394
Temperature: 1.100000
Total energy: -683.899570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -683.899570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -683.899570 (E_RNA)
where:
Base-Base interactions energy: -350.597
where: short stacking energy: -225.001
Base-Backbone interact. energy: -0.577
local terms energy: -332.726011
where:
bonds (distance) C4'-P energy: -79.444
bonds (distance) P-C4' energy: -90.741
flat angles C4'-P-C4' energy: -73.484
flat angles P-C4'-P energy: -60.691
tors. eta vs tors. theta energy: -28.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 394
Temperature: 1.150000
Total energy: -503.337893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -503.337893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.337893 (E_RNA)
where:
Base-Base interactions energy: -181.926
where: short stacking energy: -152.487
Base-Backbone interact. energy: -3.422
local terms energy: -317.990607
where:
bonds (distance) C4'-P energy: -90.024
bonds (distance) P-C4' energy: -82.422
flat angles C4'-P-C4' energy: -57.919
flat angles P-C4'-P energy: -57.302
tors. eta vs tors. theta energy: -30.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 394
Temperature: 1.200000
Total energy: -449.563588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -449.563588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -449.563588 (E_RNA)
where:
Base-Base interactions energy: -156.782
where: short stacking energy: -124.225
Base-Backbone interact. energy: -0.295
local terms energy: -292.485802
where:
bonds (distance) C4'-P energy: -95.758
bonds (distance) P-C4' energy: -80.810
flat angles C4'-P-C4' energy: -71.064
flat angles P-C4'-P energy: -34.005
tors. eta vs tors. theta energy: -10.849
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: 5
=====================================
Write number: 394
Temperature: 1.250000
Total energy: -417.052562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.052562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.052562 (E_RNA)
where:
Base-Base interactions energy: -146.590
where: short stacking energy: -133.703
Base-Backbone interact. energy: -0.848
local terms energy: -269.614144
where:
bonds (distance) C4'-P energy: -80.104
bonds (distance) P-C4' energy: -74.386
flat angles C4'-P-C4' energy: -74.091
flat angles P-C4'-P energy: -39.219
tors. eta vs tors. theta energy: -1.813
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: 394
Temperature: 1.300000
Total energy: -384.953619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -384.953619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -384.953619 (E_RNA)
where:
Base-Base interactions energy: -128.496
where: short stacking energy: -98.763
Base-Backbone interact. energy: -1.832
local terms energy: -254.625996
where:
bonds (distance) C4'-P energy: -69.450
bonds (distance) P-C4' energy: -79.917
flat angles C4'-P-C4' energy: -74.887
flat angles P-C4'-P energy: -39.252
tors. eta vs tors. theta energy: 8.880
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 394
Temperature: 1.350000
Total energy: -367.717040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.717040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.717040 (E_RNA)
where:
Base-Base interactions energy: -145.773
where: short stacking energy: -127.342
Base-Backbone interact. energy: 1.862
local terms energy: -223.806217
where:
bonds (distance) C4'-P energy: -65.407
bonds (distance) P-C4' energy: -82.647
flat angles C4'-P-C4' energy: -55.244
flat angles P-C4'-P energy: -30.761
tors. eta vs tors. theta energy: 10.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 395
Temperature: 0.900000
Total energy: -1267.848275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1267.848275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1267.848275 (E_RNA)
where:
Base-Base interactions energy: -786.327
where: short stacking energy: -440.800
Base-Backbone interact. energy: 0.965
local terms energy: -482.486192
where:
bonds (distance) C4'-P energy: -86.542
bonds (distance) P-C4' energy: -91.878
flat angles C4'-P-C4' energy: -98.522
flat angles P-C4'-P energy: -73.006
tors. eta vs tors. theta energy: -132.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 395
Temperature: 0.950000
Total energy: -1097.077561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1097.077561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1097.077561 (E_RNA)
where:
Base-Base interactions energy: -635.937
where: short stacking energy: -410.392
Base-Backbone interact. energy: -0.306
local terms energy: -460.834296
where:
bonds (distance) C4'-P energy: -96.002
bonds (distance) P-C4' energy: -85.279
flat angles C4'-P-C4' energy: -98.692
flat angles P-C4'-P energy: -65.497
tors. eta vs tors. theta energy: -115.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 395
Temperature: 1.000000
Total energy: -940.977906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -940.977906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -940.977906 (E_RNA)
where:
Base-Base interactions energy: -519.023
where: short stacking energy: -323.081
Base-Backbone interact. energy: 2.973
local terms energy: -424.927408
where:
bonds (distance) C4'-P energy: -89.611
bonds (distance) P-C4' energy: -96.590
flat angles C4'-P-C4' energy: -94.819
flat angles P-C4'-P energy: -60.881
tors. eta vs tors. theta energy: -83.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 395
Temperature: 1.050000
Total energy: -787.387186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -787.387186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -787.387186 (E_RNA)
where:
Base-Base interactions energy: -406.164
where: short stacking energy: -262.216
Base-Backbone interact. energy: 1.991
local terms energy: -383.213607
where:
bonds (distance) C4'-P energy: -87.689
bonds (distance) P-C4' energy: -83.865
flat angles C4'-P-C4' energy: -88.586
flat angles P-C4'-P energy: -58.667
tors. eta vs tors. theta energy: -64.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 395
Temperature: 1.100000
Total energy: -769.208247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -769.208247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -769.208247 (E_RNA)
where:
Base-Base interactions energy: -399.981
where: short stacking energy: -240.259
Base-Backbone interact. energy: 0.704
local terms energy: -369.931353
where:
bonds (distance) C4'-P energy: -93.305
bonds (distance) P-C4' energy: -89.666
flat angles C4'-P-C4' energy: -97.364
flat angles P-C4'-P energy: -43.708
tors. eta vs tors. theta energy: -45.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 395
Temperature: 1.150000
Total energy: -529.251440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.251440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.251440 (E_RNA)
where:
Base-Base interactions energy: -239.025
where: short stacking energy: -155.590
Base-Backbone interact. energy: 1.789
local terms energy: -292.015137
where:
bonds (distance) C4'-P energy: -82.558
bonds (distance) P-C4' energy: -83.685
flat angles C4'-P-C4' energy: -74.527
flat angles P-C4'-P energy: -51.011
tors. eta vs tors. theta energy: -0.233
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 395
Temperature: 1.200000
Total energy: -468.991417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -468.991417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -468.991417 (E_RNA)
where:
Base-Base interactions energy: -170.536
where: short stacking energy: -158.717
Base-Backbone interact. energy: 1.258
local terms energy: -299.713433
where:
bonds (distance) C4'-P energy: -94.422
bonds (distance) P-C4' energy: -71.740
flat angles C4'-P-C4' energy: -88.815
flat angles P-C4'-P energy: -35.114
tors. eta vs tors. theta energy: -9.623
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: 5
=====================================
Write number: 395
Temperature: 1.250000
Total energy: -404.434888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -404.434888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -404.434888 (E_RNA)
where:
Base-Base interactions energy: -126.327
where: short stacking energy: -115.791
Base-Backbone interact. energy: 0.435
local terms energy: -278.542671
where:
bonds (distance) C4'-P energy: -80.634
bonds (distance) P-C4' energy: -94.021
flat angles C4'-P-C4' energy: -60.856
flat angles P-C4'-P energy: -45.150
tors. eta vs tors. theta energy: 2.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 395
Temperature: 1.300000
Total energy: -385.050764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -385.050764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -385.050764 (E_RNA)
where:
Base-Base interactions energy: -120.770
where: short stacking energy: -97.507
Base-Backbone interact. energy: 5.181
local terms energy: -269.461489
where:
bonds (distance) C4'-P energy: -69.200
bonds (distance) P-C4' energy: -86.636
flat angles C4'-P-C4' energy: -70.667
flat angles P-C4'-P energy: -45.421
tors. eta vs tors. theta energy: 2.463
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: 2
=====================================
Write number: 395
Temperature: 1.350000
Total energy: -355.433476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.433476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.433476 (E_RNA)
where:
Base-Base interactions energy: -103.507
where: short stacking energy: -104.021
Base-Backbone interact. energy: 6.969
local terms energy: -258.895362
where:
bonds (distance) C4'-P energy: -75.525
bonds (distance) P-C4' energy: -71.855
flat angles C4'-P-C4' energy: -77.204
flat angles P-C4'-P energy: -34.738
tors. eta vs tors. theta energy: 0.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 396
Temperature: 0.900000
Total energy: -1310.797377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1310.797377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1310.797377 (E_RNA)
where:
Base-Base interactions energy: -798.371
where: short stacking energy: -459.591
Base-Backbone interact. energy: 1.976
local terms energy: -514.402511
where:
bonds (distance) C4'-P energy: -98.519
bonds (distance) P-C4' energy: -93.774
flat angles C4'-P-C4' energy: -101.544
flat angles P-C4'-P energy: -77.034
tors. eta vs tors. theta energy: -143.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 396
Temperature: 0.950000
Total energy: -1102.434321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1102.434321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1102.434321 (E_RNA)
where:
Base-Base interactions energy: -637.068
where: short stacking energy: -394.981
Base-Backbone interact. energy: 0.670
local terms energy: -466.037080
where:
bonds (distance) C4'-P energy: -100.462
bonds (distance) P-C4' energy: -94.678
flat angles C4'-P-C4' energy: -99.226
flat angles P-C4'-P energy: -58.063
tors. eta vs tors. theta energy: -113.608
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: 7
=====================================
Write number: 396
Temperature: 1.000000
Total energy: -928.428124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -928.428124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -928.428124 (E_RNA)
where:
Base-Base interactions energy: -538.937
where: short stacking energy: -323.854
Base-Backbone interact. energy: 0.685
local terms energy: -390.176385
where:
bonds (distance) C4'-P energy: -81.669
bonds (distance) P-C4' energy: -82.054
flat angles C4'-P-C4' energy: -88.180
flat angles P-C4'-P energy: -55.303
tors. eta vs tors. theta energy: -82.970
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 396
Temperature: 1.050000
Total energy: -755.587484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -755.587484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -755.587484 (E_RNA)
where:
Base-Base interactions energy: -394.608
where: short stacking energy: -264.857
Base-Backbone interact. energy: 5.214
local terms energy: -366.193633
where:
bonds (distance) C4'-P energy: -80.623
bonds (distance) P-C4' energy: -88.020
flat angles C4'-P-C4' energy: -80.473
flat angles P-C4'-P energy: -63.575
tors. eta vs tors. theta energy: -53.503
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 396
Temperature: 1.100000
Total energy: -710.749964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -710.749964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -710.749964 (E_RNA)
where:
Base-Base interactions energy: -357.952
where: short stacking energy: -217.659
Base-Backbone interact. energy: 0.838
local terms energy: -353.635407
where:
bonds (distance) C4'-P energy: -94.771
bonds (distance) P-C4' energy: -77.420
flat angles C4'-P-C4' energy: -90.284
flat angles P-C4'-P energy: -47.445
tors. eta vs tors. theta energy: -43.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 396
Temperature: 1.150000
Total energy: -575.690668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -575.690668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -575.690668 (E_RNA)
where:
Base-Base interactions energy: -261.663
where: short stacking energy: -219.131
Base-Backbone interact. energy: -1.827
local terms energy: -312.200381
where:
bonds (distance) C4'-P energy: -82.546
bonds (distance) P-C4' energy: -82.960
flat angles C4'-P-C4' energy: -59.054
flat angles P-C4'-P energy: -55.895
tors. eta vs tors. theta energy: -31.745
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: 5
=====================================
Write number: 396
Temperature: 1.200000
Total energy: -443.628179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -443.628179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -443.628179 (E_RNA)
where:
Base-Base interactions energy: -141.855
where: short stacking energy: -132.771
Base-Backbone interact. energy: -1.361
local terms energy: -300.411520
where:
bonds (distance) C4'-P energy: -97.599
bonds (distance) P-C4' energy: -81.004
flat angles C4'-P-C4' energy: -84.877
flat angles P-C4'-P energy: -31.976
tors. eta vs tors. theta energy: -4.955
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: 10
=====================================
Write number: 396
Temperature: 1.250000
Total energy: -418.478206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.478206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.478206 (E_RNA)
where:
Base-Base interactions energy: -154.010
where: short stacking energy: -136.707
Base-Backbone interact. energy: 0.598
local terms energy: -265.066570
where:
bonds (distance) C4'-P energy: -74.150
bonds (distance) P-C4' energy: -92.168
flat angles C4'-P-C4' energy: -49.496
flat angles P-C4'-P energy: -42.634
tors. eta vs tors. theta energy: -6.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 396
Temperature: 1.300000
Total energy: -384.212545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -384.212545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -384.212545 (E_RNA)
where:
Base-Base interactions energy: -97.113
where: short stacking energy: -81.334
Base-Backbone interact. energy: 2.108
local terms energy: -289.207286
where:
bonds (distance) C4'-P energy: -84.034
bonds (distance) P-C4' energy: -95.519
flat angles C4'-P-C4' energy: -69.477
flat angles P-C4'-P energy: -53.707
tors. eta vs tors. theta energy: 13.530
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 396
Temperature: 1.350000
Total energy: -340.313926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.313926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.313926 (E_RNA)
where:
Base-Base interactions energy: -90.221
where: short stacking energy: -84.225
Base-Backbone interact. energy: -1.667
local terms energy: -248.426760
where:
bonds (distance) C4'-P energy: -65.687
bonds (distance) P-C4' energy: -89.035
flat angles C4'-P-C4' energy: -70.259
flat angles P-C4'-P energy: -35.790
tors. eta vs tors. theta energy: 12.344
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: 1, replica: 1
=====================================
Write number: 397
Temperature: 0.900000
Total energy: -1314.360507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1314.360507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1314.360507 (E_RNA)
where:
Base-Base interactions energy: -816.942
where: short stacking energy: -454.678
Base-Backbone interact. energy: -2.607
local terms energy: -494.811258
where:
bonds (distance) C4'-P energy: -86.074
bonds (distance) P-C4' energy: -88.083
flat angles C4'-P-C4' energy: -109.834
flat angles P-C4'-P energy: -72.200
tors. eta vs tors. theta energy: -138.620
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 397
Temperature: 0.950000
Total energy: -1098.526504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1098.526504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1098.526504 (E_RNA)
where:
Base-Base interactions energy: -633.865
where: short stacking energy: -396.640
Base-Backbone interact. energy: -1.258
local terms energy: -463.403020
where:
bonds (distance) C4'-P energy: -93.733
bonds (distance) P-C4' energy: -91.957
flat angles C4'-P-C4' energy: -105.859
flat angles P-C4'-P energy: -58.471
tors. eta vs tors. theta energy: -113.382
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: 3, replica: 7
=====================================
Write number: 397
Temperature: 1.000000
Total energy: -887.687033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -887.687033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -887.687033 (E_RNA)
where:
Base-Base interactions energy: -472.767
where: short stacking energy: -315.108
Base-Backbone interact. energy: -1.331
local terms energy: -413.589690
where:
bonds (distance) C4'-P energy: -81.446
bonds (distance) P-C4' energy: -91.963
flat angles C4'-P-C4' energy: -87.165
flat angles P-C4'-P energy: -66.436
tors. eta vs tors. theta energy: -86.581
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 397
Temperature: 1.050000
Total energy: -782.337995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -782.337995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -782.337995 (E_RNA)
where:
Base-Base interactions energy: -385.120
where: short stacking energy: -260.061
Base-Backbone interact. energy: 0.251
local terms energy: -397.469529
where:
bonds (distance) C4'-P energy: -88.303
bonds (distance) P-C4' energy: -82.742
flat angles C4'-P-C4' energy: -85.812
flat angles P-C4'-P energy: -63.197
tors. eta vs tors. theta energy: -77.416
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 397
Temperature: 1.100000
Total energy: -684.327254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -684.327254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -684.327254 (E_RNA)
where:
Base-Base interactions energy: -317.950
where: short stacking energy: -212.158
Base-Backbone interact. energy: 0.169
local terms energy: -366.546170
where:
bonds (distance) C4'-P energy: -80.799
bonds (distance) P-C4' energy: -96.376
flat angles C4'-P-C4' energy: -86.464
flat angles P-C4'-P energy: -62.117
tors. eta vs tors. theta energy: -40.791
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 397
Temperature: 1.150000
Total energy: -560.858341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -560.858341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -560.858341 (E_RNA)
where:
Base-Base interactions energy: -236.236
where: short stacking energy: -190.590
Base-Backbone interact. energy: -0.084
local terms energy: -324.538742
where:
bonds (distance) C4'-P energy: -79.646
bonds (distance) P-C4' energy: -78.352
flat angles C4'-P-C4' energy: -82.733
flat angles P-C4'-P energy: -53.315
tors. eta vs tors. theta energy: -30.492
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: 7, replica: 5
=====================================
Write number: 397
Temperature: 1.200000
Total energy: -484.667859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -484.667859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -484.667859 (E_RNA)
where:
Base-Base interactions energy: -184.883
where: short stacking energy: -158.282
Base-Backbone interact. energy: -2.906
local terms energy: -296.879160
where:
bonds (distance) C4'-P energy: -85.692
bonds (distance) P-C4' energy: -80.167
flat angles C4'-P-C4' energy: -73.694
flat angles P-C4'-P energy: -47.775
tors. eta vs tors. theta energy: -9.552
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 397
Temperature: 1.250000
Total energy: -398.241604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -398.241604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -398.241604 (E_RNA)
where:
Base-Base interactions energy: -137.722
where: short stacking energy: -121.732
Base-Backbone interact. energy: -1.444
local terms energy: -259.075047
where:
bonds (distance) C4'-P energy: -76.991
bonds (distance) P-C4' energy: -74.486
flat angles C4'-P-C4' energy: -72.110
flat angles P-C4'-P energy: -36.689
tors. eta vs tors. theta energy: 1.201
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: 397
Temperature: 1.300000
Total energy: -363.999025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.999025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.999025 (E_RNA)
where:
Base-Base interactions energy: -106.414
where: short stacking energy: -97.728
Base-Backbone interact. energy: 0.460
local terms energy: -258.045528
where:
bonds (distance) C4'-P energy: -80.056
bonds (distance) P-C4' energy: -83.177
flat angles C4'-P-C4' energy: -72.331
flat angles P-C4'-P energy: -38.963
tors. eta vs tors. theta energy: 16.481
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: 397
Temperature: 1.350000
Total energy: -359.430007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.430007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.430007 (E_RNA)
where:
Base-Base interactions energy: -126.584
where: short stacking energy: -101.410
Base-Backbone interact. energy: -1.698
local terms energy: -231.148057
where:
bonds (distance) C4'-P energy: -83.424
bonds (distance) P-C4' energy: -83.584
flat angles C4'-P-C4' energy: -47.106
flat angles P-C4'-P energy: -37.812
tors. eta vs tors. theta energy: 20.778
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 398
Temperature: 0.900000
Total energy: -1320.692733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1320.692733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1320.692733 (E_RNA)
where:
Base-Base interactions energy: -812.292
where: short stacking energy: -466.789
Base-Backbone interact. energy: -2.119
local terms energy: -506.281261
where:
bonds (distance) C4'-P energy: -86.771
bonds (distance) P-C4' energy: -94.473
flat angles C4'-P-C4' energy: -109.378
flat angles P-C4'-P energy: -75.909
tors. eta vs tors. theta energy: -139.749
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: 398
Temperature: 0.950000
Total energy: -1117.046092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1117.046092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1117.046092 (E_RNA)
where:
Base-Base interactions energy: -657.507
where: short stacking energy: -392.646
Base-Backbone interact. energy: -0.285
local terms energy: -459.253944
where:
bonds (distance) C4'-P energy: -89.927
bonds (distance) P-C4' energy: -93.065
flat angles C4'-P-C4' energy: -97.352
flat angles P-C4'-P energy: -67.087
tors. eta vs tors. theta energy: -111.823
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 398
Temperature: 1.000000
Total energy: -898.989449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -898.989449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -898.989449 (E_RNA)
where:
Base-Base interactions energy: -500.286
where: short stacking energy: -317.106
Base-Backbone interact. energy: -0.473
local terms energy: -398.230454
where:
bonds (distance) C4'-P energy: -85.998
bonds (distance) P-C4' energy: -97.767
flat angles C4'-P-C4' energy: -68.744
flat angles P-C4'-P energy: -58.458
tors. eta vs tors. theta energy: -87.263
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 398
Temperature: 1.050000
Total energy: -770.267533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -770.267533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -770.267533 (E_RNA)
where:
Base-Base interactions energy: -380.089
where: short stacking energy: -244.214
Base-Backbone interact. energy: -0.195
local terms energy: -389.983787
where:
bonds (distance) C4'-P energy: -99.698
bonds (distance) P-C4' energy: -95.322
flat angles C4'-P-C4' energy: -91.444
flat angles P-C4'-P energy: -53.448
tors. eta vs tors. theta energy: -50.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 398
Temperature: 1.100000
Total energy: -675.806136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -675.806136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -675.806136 (E_RNA)
where:
Base-Base interactions energy: -328.165
where: short stacking energy: -211.712
Base-Backbone interact. energy: -1.051
local terms energy: -346.589285
where:
bonds (distance) C4'-P energy: -69.321
bonds (distance) P-C4' energy: -97.855
flat angles C4'-P-C4' energy: -88.440
flat angles P-C4'-P energy: -53.136
tors. eta vs tors. theta energy: -37.837
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 398
Temperature: 1.150000
Total energy: -562.274887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -562.274887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -562.274887 (E_RNA)
where:
Base-Base interactions energy: -220.850
where: short stacking energy: -170.321
Base-Backbone interact. energy: -2.088
local terms energy: -339.336196
where:
bonds (distance) C4'-P energy: -75.830
bonds (distance) P-C4' energy: -94.484
flat angles C4'-P-C4' energy: -83.902
flat angles P-C4'-P energy: -65.682
tors. eta vs tors. theta energy: -19.439
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: 5
=====================================
Write number: 398
Temperature: 1.200000
Total energy: -476.389466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.389466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.389466 (E_RNA)
where:
Base-Base interactions energy: -184.301
where: short stacking energy: -138.206
Base-Backbone interact. energy: -1.369
local terms energy: -290.719636
where:
bonds (distance) C4'-P energy: -82.039
bonds (distance) P-C4' energy: -86.414
flat angles C4'-P-C4' energy: -79.097
flat angles P-C4'-P energy: -36.771
tors. eta vs tors. theta energy: -6.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 398
Temperature: 1.250000
Total energy: -392.177290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.177290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -392.177290 (E_RNA)
where:
Base-Base interactions energy: -132.386
where: short stacking energy: -116.082
Base-Backbone interact. energy: -0.886
local terms energy: -258.905142
where:
bonds (distance) C4'-P energy: -78.477
bonds (distance) P-C4' energy: -85.573
flat angles C4'-P-C4' energy: -59.006
flat angles P-C4'-P energy: -32.982
tors. eta vs tors. theta energy: -2.868
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: 2
=====================================
Write number: 398
Temperature: 1.300000
Total energy: -369.117871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.117871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.117871 (E_RNA)
where:
Base-Base interactions energy: -98.796
where: short stacking energy: -91.293
Base-Backbone interact. energy: 1.410
local terms energy: -271.731489
where:
bonds (distance) C4'-P energy: -83.477
bonds (distance) P-C4' energy: -81.390
flat angles C4'-P-C4' energy: -74.846
flat angles P-C4'-P energy: -44.038
tors. eta vs tors. theta energy: 12.019
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: 9
=====================================
Write number: 398
Temperature: 1.350000
Total energy: -351.250261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.250261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.250261 (E_RNA)
where:
Base-Base interactions energy: -86.291
where: short stacking energy: -80.867
Base-Backbone interact. energy: 2.726
local terms energy: -267.684857
where:
bonds (distance) C4'-P energy: -88.167
bonds (distance) P-C4' energy: -88.175
flat angles C4'-P-C4' energy: -57.237
flat angles P-C4'-P energy: -48.152
tors. eta vs tors. theta energy: 14.046
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 399
Temperature: 0.900000
Total energy: -1321.253666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1321.253666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1321.253666 (E_RNA)
where:
Base-Base interactions energy: -824.237
where: short stacking energy: -470.073
Base-Backbone interact. energy: -2.754
local terms energy: -494.262180
where:
bonds (distance) C4'-P energy: -88.889
bonds (distance) P-C4' energy: -101.474
flat angles C4'-P-C4' energy: -100.298
flat angles P-C4'-P energy: -64.538
tors. eta vs tors. theta energy: -139.063
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 399
Temperature: 0.950000
Total energy: -1108.614227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1108.614227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1108.614227 (E_RNA)
where:
Base-Base interactions energy: -651.326
where: short stacking energy: -398.928
Base-Backbone interact. energy: -0.206
local terms energy: -457.082360
where:
bonds (distance) C4'-P energy: -95.658
bonds (distance) P-C4' energy: -89.312
flat angles C4'-P-C4' energy: -95.535
flat angles P-C4'-P energy: -63.736
tors. eta vs tors. theta energy: -112.841
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: 7
=====================================
Write number: 399
Temperature: 1.000000
Total energy: -925.001737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -925.001737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -925.001737 (E_RNA)
where:
Base-Base interactions energy: -501.445
where: short stacking energy: -340.622
Base-Backbone interact. energy: -2.088
local terms energy: -421.467999
where:
bonds (distance) C4'-P energy: -94.390
bonds (distance) P-C4' energy: -91.566
flat angles C4'-P-C4' energy: -79.188
flat angles P-C4'-P energy: -64.685
tors. eta vs tors. theta energy: -91.638
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 399
Temperature: 1.050000
Total energy: -763.244304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -763.244304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -763.244304 (E_RNA)
where:
Base-Base interactions energy: -383.549
where: short stacking energy: -244.098
Base-Backbone interact. energy: -1.261
local terms energy: -378.433704
where:
bonds (distance) C4'-P energy: -83.518
bonds (distance) P-C4' energy: -88.703
flat angles C4'-P-C4' energy: -95.813
flat angles P-C4'-P energy: -58.332
tors. eta vs tors. theta energy: -52.067
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 399
Temperature: 1.100000
Total energy: -678.014779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -678.014779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -678.014779 (E_RNA)
where:
Base-Base interactions energy: -331.288
where: short stacking energy: -213.882
Base-Backbone interact. energy: -0.560
local terms energy: -346.166425
where:
bonds (distance) C4'-P energy: -70.244
bonds (distance) P-C4' energy: -94.035
flat angles C4'-P-C4' energy: -92.623
flat angles P-C4'-P energy: -55.699
tors. eta vs tors. theta energy: -33.565
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: 8
=====================================
Write number: 399
Temperature: 1.150000
Total energy: -566.732147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -566.732147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -566.732147 (E_RNA)
where:
Base-Base interactions energy: -244.583
where: short stacking energy: -155.197
Base-Backbone interact. energy: -0.811
local terms energy: -321.338684
where:
bonds (distance) C4'-P energy: -85.296
bonds (distance) P-C4' energy: -99.979
flat angles C4'-P-C4' energy: -66.632
flat angles P-C4'-P energy: -52.905
tors. eta vs tors. theta energy: -16.527
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 399
Temperature: 1.200000
Total energy: -505.016689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.016689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.016689 (E_RNA)
where:
Base-Base interactions energy: -219.797
where: short stacking energy: -158.221
Base-Backbone interact. energy: 1.082
local terms energy: -286.301271
where:
bonds (distance) C4'-P energy: -87.643
bonds (distance) P-C4' energy: -77.262
flat angles C4'-P-C4' energy: -66.169
flat angles P-C4'-P energy: -40.932
tors. eta vs tors. theta energy: -14.294
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 399
Temperature: 1.250000
Total energy: -432.791033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -432.791033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -432.791033 (E_RNA)
where:
Base-Base interactions energy: -149.486
where: short stacking energy: -118.978
Base-Backbone interact. energy: 1.217
local terms energy: -284.521817
where:
bonds (distance) C4'-P energy: -72.460
bonds (distance) P-C4' energy: -86.598
flat angles C4'-P-C4' energy: -80.200
flat angles P-C4'-P energy: -43.680
tors. eta vs tors. theta energy: -1.584
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 399
Temperature: 1.300000
Total energy: -370.806576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.806576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.806576 (E_RNA)
where:
Base-Base interactions energy: -134.908
where: short stacking energy: -106.544
Base-Backbone interact. energy: -3.056
local terms energy: -232.842706
where:
bonds (distance) C4'-P energy: -60.950
bonds (distance) P-C4' energy: -77.146
flat angles C4'-P-C4' energy: -73.171
flat angles P-C4'-P energy: -31.337
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: 9
=====================================
Write number: 399
Temperature: 1.350000
Total energy: -358.132900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.132900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.132900 (E_RNA)
where:
Base-Base interactions energy: -91.643
where: short stacking energy: -89.178
Base-Backbone interact. energy: 4.015
local terms energy: -270.504905
where:
bonds (distance) C4'-P energy: -87.770
bonds (distance) P-C4' energy: -75.895
flat angles C4'-P-C4' energy: -77.325
flat angles P-C4'-P energy: -35.736
tors. eta vs tors. theta energy: 6.222
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 400
Temperature: 0.900000
Total energy: -1304.689140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1304.689140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1304.689140 (E_RNA)
where:
Base-Base interactions energy: -805.599
where: short stacking energy: -457.387
Base-Backbone interact. energy: -1.922
local terms energy: -497.168192
where:
bonds (distance) C4'-P energy: -86.138
bonds (distance) P-C4' energy: -91.530
flat angles C4'-P-C4' energy: -108.518
flat angles P-C4'-P energy: -72.677
tors. eta vs tors. theta energy: -138.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 400
Temperature: 0.950000
Total energy: -1077.095651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1077.095651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1077.095651 (E_RNA)
where:
Base-Base interactions energy: -625.660
where: short stacking energy: -395.487
Base-Backbone interact. energy: -0.165
local terms energy: -451.270372
where:
bonds (distance) C4'-P energy: -97.657
bonds (distance) P-C4' energy: -91.614
flat angles C4'-P-C4' energy: -102.729
flat angles P-C4'-P energy: -53.363
tors. eta vs tors. theta energy: -105.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 400
Temperature: 1.000000
Total energy: -897.551507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -897.551507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -897.551507 (E_RNA)
where:
Base-Base interactions energy: -492.270
where: short stacking energy: -294.163
Base-Backbone interact. energy: -2.222
local terms energy: -403.059666
where:
bonds (distance) C4'-P energy: -82.899
bonds (distance) P-C4' energy: -92.535
flat angles C4'-P-C4' energy: -91.862
flat angles P-C4'-P energy: -52.861
tors. eta vs tors. theta energy: -82.902
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 400
Temperature: 1.050000
Total energy: -775.187928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -775.187928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -775.187928 (E_RNA)
where:
Base-Base interactions energy: -389.233
where: short stacking energy: -271.505
Base-Backbone interact. energy: -0.755
local terms energy: -385.200650
where:
bonds (distance) C4'-P energy: -87.935
bonds (distance) P-C4' energy: -92.431
flat angles C4'-P-C4' energy: -84.181
flat angles P-C4'-P energy: -57.936
tors. eta vs tors. theta energy: -62.718
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 400
Temperature: 1.100000
Total energy: -637.171694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -637.171694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -637.171694 (E_RNA)
where:
Base-Base interactions energy: -306.563
where: short stacking energy: -211.867
Base-Backbone interact. energy: -0.594
local terms energy: -330.014547
where:
bonds (distance) C4'-P energy: -86.130
bonds (distance) P-C4' energy: -95.353
flat angles C4'-P-C4' energy: -83.294
flat angles P-C4'-P energy: -43.103
tors. eta vs tors. theta energy: -22.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 400
Temperature: 1.150000
Total energy: -535.665355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.665355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.665355 (E_RNA)
where:
Base-Base interactions energy: -207.066
where: short stacking energy: -156.857
Base-Backbone interact. energy: 0.036
local terms energy: -328.635898
where:
bonds (distance) C4'-P energy: -86.414
bonds (distance) P-C4' energy: -89.681
flat angles C4'-P-C4' energy: -75.524
flat angles P-C4'-P energy: -42.607
tors. eta vs tors. theta energy: -34.410
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: 7, replica: 5
=====================================
Write number: 400
Temperature: 1.200000
Total energy: -526.557874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.557874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.557874 (E_RNA)
where:
Base-Base interactions energy: -231.893
where: short stacking energy: -153.052
Base-Backbone interact. energy: -1.643
local terms energy: -293.021920
where:
bonds (distance) C4'-P energy: -71.848
bonds (distance) P-C4' energy: -81.289
flat angles C4'-P-C4' energy: -71.508
flat angles P-C4'-P energy: -56.439
tors. eta vs tors. theta energy: -11.938
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 400
Temperature: 1.250000
Total energy: -406.012340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.012340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -406.012340 (E_RNA)
where:
Base-Base interactions energy: -131.466
where: short stacking energy: -116.929
Base-Backbone interact. energy: -0.466
local terms energy: -274.080105
where:
bonds (distance) C4'-P energy: -87.375
bonds (distance) P-C4' energy: -86.324
flat angles C4'-P-C4' energy: -56.243
flat angles P-C4'-P energy: -42.473
tors. eta vs tors. theta energy: -1.667
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: 9
=====================================
Write number: 400
Temperature: 1.300000
Total energy: -383.720475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -383.720475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -383.720475 (E_RNA)
where:
Base-Base interactions energy: -122.823
where: short stacking energy: -101.993
Base-Backbone interact. energy: -2.155
local terms energy: -258.743024
where:
bonds (distance) C4'-P energy: -60.520
bonds (distance) P-C4' energy: -84.989
flat angles C4'-P-C4' energy: -70.278
flat angles P-C4'-P energy: -43.708
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: 10, replica: 10
=====================================
Write number: 400
Temperature: 1.350000
Total energy: -345.908994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.908994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.908994 (E_RNA)
where:
Base-Base interactions energy: -117.707
where: short stacking energy: -102.706
Base-Backbone interact. energy: -0.966
local terms energy: -227.236026
where:
bonds (distance) C4'-P energy: -69.002
bonds (distance) P-C4' energy: -62.757
flat angles C4'-P-C4' energy: -61.136
flat angles P-C4'-P energy: -42.043
tors. eta vs tors. theta energy: 7.703
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: 401
Temperature: 0.900000
Total energy: -1326.610683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1326.610683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1326.610683 (E_RNA)
where:
Base-Base interactions energy: -805.491
where: short stacking energy: -467.159
Base-Backbone interact. energy: -0.859
local terms energy: -520.260530
where:
bonds (distance) C4'-P energy: -95.019
bonds (distance) P-C4' energy: -92.939
flat angles C4'-P-C4' energy: -107.228
flat angles P-C4'-P energy: -78.634
tors. eta vs tors. theta energy: -146.440
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: 4
=====================================
Write number: 401
Temperature: 0.950000
Total energy: -1092.742239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1092.742239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1092.742239 (E_RNA)
where:
Base-Base interactions energy: -636.184
where: short stacking energy: -376.249
Base-Backbone interact. energy: -1.092
local terms energy: -455.466378
where:
bonds (distance) C4'-P energy: -90.944
bonds (distance) P-C4' energy: -90.041
flat angles C4'-P-C4' energy: -103.913
flat angles P-C4'-P energy: -59.680
tors. eta vs tors. theta energy: -110.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 401
Temperature: 1.000000
Total energy: -907.877660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -907.877660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -907.877660 (E_RNA)
where:
Base-Base interactions energy: -504.721
where: short stacking energy: -321.861
Base-Backbone interact. energy: -0.293
local terms energy: -402.864068
where:
bonds (distance) C4'-P energy: -67.423
bonds (distance) P-C4' energy: -94.471
flat angles C4'-P-C4' energy: -88.716
flat angles P-C4'-P energy: -65.181
tors. eta vs tors. theta energy: -87.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 401
Temperature: 1.050000
Total energy: -724.964075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -724.964075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -724.964075 (E_RNA)
where:
Base-Base interactions energy: -373.643
where: short stacking energy: -257.062
Base-Backbone interact. energy: -0.289
local terms energy: -351.032504
where:
bonds (distance) C4'-P energy: -72.381
bonds (distance) P-C4' energy: -101.079
flat angles C4'-P-C4' energy: -83.006
flat angles P-C4'-P energy: -46.638
tors. eta vs tors. theta energy: -47.929
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 401
Temperature: 1.100000
Total energy: -694.542182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -694.542182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -694.542182 (E_RNA)
where:
Base-Base interactions energy: -344.796
where: short stacking energy: -227.053
Base-Backbone interact. energy: -1.252
local terms energy: -348.494171
where:
bonds (distance) C4'-P energy: -76.640
bonds (distance) P-C4' energy: -93.554
flat angles C4'-P-C4' energy: -90.343
flat angles P-C4'-P energy: -48.113
tors. eta vs tors. theta energy: -39.843
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 401
Temperature: 1.150000
Total energy: -582.779096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -582.779096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -582.779096 (E_RNA)
where:
Base-Base interactions energy: -242.141
where: short stacking energy: -196.813
Base-Backbone interact. energy: -0.970
local terms energy: -339.667817
where:
bonds (distance) C4'-P energy: -91.457
bonds (distance) P-C4' energy: -91.015
flat angles C4'-P-C4' energy: -72.275
flat angles P-C4'-P energy: -44.522
tors. eta vs tors. theta energy: -40.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 401
Temperature: 1.200000
Total energy: -459.111008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -459.111008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -459.111008 (E_RNA)
where:
Base-Base interactions energy: -194.826
where: short stacking energy: -140.951
Base-Backbone interact. energy: -0.694
local terms energy: -263.591040
where:
bonds (distance) C4'-P energy: -71.336
bonds (distance) P-C4' energy: -91.109
flat angles C4'-P-C4' energy: -60.830
flat angles P-C4'-P energy: -36.990
tors. eta vs tors. theta energy: -3.325
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: 9
=====================================
Write number: 401
Temperature: 1.250000
Total energy: -430.518527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -430.518527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -430.518527 (E_RNA)
where:
Base-Base interactions energy: -169.604
where: short stacking energy: -150.195
Base-Backbone interact. energy: 2.268
local terms energy: -263.182955
where:
bonds (distance) C4'-P energy: -77.321
bonds (distance) P-C4' energy: -82.489
flat angles C4'-P-C4' energy: -69.787
flat angles P-C4'-P energy: -26.647
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: 401
Temperature: 1.300000
Total energy: -392.245199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.245199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -392.245199 (E_RNA)
where:
Base-Base interactions energy: -130.514
where: short stacking energy: -108.637
Base-Backbone interact. energy: -0.052
local terms energy: -261.679230
where:
bonds (distance) C4'-P energy: -61.708
bonds (distance) P-C4' energy: -88.648
flat angles C4'-P-C4' energy: -63.917
flat angles P-C4'-P energy: -44.735
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: 10, replica: 10
=====================================
Write number: 401
Temperature: 1.350000
Total energy: -352.624818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.624818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.624818 (E_RNA)
where:
Base-Base interactions energy: -126.359
where: short stacking energy: -102.488
Base-Backbone interact. energy: 2.419
local terms energy: -228.685739
where:
bonds (distance) C4'-P energy: -77.908
bonds (distance) P-C4' energy: -79.125
flat angles C4'-P-C4' energy: -54.565
flat angles P-C4'-P energy: -38.332
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: 1
=====================================
Write number: 402
Temperature: 0.900000
Total energy: -1291.360127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1291.360127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1291.360127 (E_RNA)
where:
Base-Base interactions energy: -790.222
where: short stacking energy: -433.449
Base-Backbone interact. energy: -0.473
local terms energy: -500.665171
where:
bonds (distance) C4'-P energy: -83.835
bonds (distance) P-C4' energy: -103.096
flat angles C4'-P-C4' energy: -109.072
flat angles P-C4'-P energy: -70.488
tors. eta vs tors. theta energy: -134.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 402
Temperature: 0.950000
Total energy: -1064.079836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1064.079836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1064.079836 (E_RNA)
where:
Base-Base interactions energy: -613.454
where: short stacking energy: -387.120
Base-Backbone interact. energy: 0.098
local terms energy: -450.724324
where:
bonds (distance) C4'-P energy: -86.299
bonds (distance) P-C4' energy: -88.753
flat angles C4'-P-C4' energy: -100.088
flat angles P-C4'-P energy: -74.171
tors. eta vs tors. theta energy: -101.414
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: 7
=====================================
Write number: 402
Temperature: 1.000000
Total energy: -889.563135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -889.563135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -889.563135 (E_RNA)
where:
Base-Base interactions energy: -452.814
where: short stacking energy: -275.261
Base-Backbone interact. energy: 2.799
local terms energy: -439.547589
where:
bonds (distance) C4'-P energy: -91.483
bonds (distance) P-C4' energy: -106.665
flat angles C4'-P-C4' energy: -93.156
flat angles P-C4'-P energy: -62.358
tors. eta vs tors. theta energy: -85.885
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: 3
=====================================
Write number: 402
Temperature: 1.050000
Total energy: -761.087496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -761.087496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -761.087496 (E_RNA)
where:
Base-Base interactions energy: -392.379
where: short stacking energy: -277.409
Base-Backbone interact. energy: -0.930
local terms energy: -367.778463
where:
bonds (distance) C4'-P energy: -78.059
bonds (distance) P-C4' energy: -92.204
flat angles C4'-P-C4' energy: -81.692
flat angles P-C4'-P energy: -61.013
tors. eta vs tors. theta energy: -54.811
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 402
Temperature: 1.100000
Total energy: -685.353750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -685.353750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -685.353750 (E_RNA)
where:
Base-Base interactions energy: -325.233
where: short stacking energy: -220.675
Base-Backbone interact. energy: -2.938
local terms energy: -357.182450
where:
bonds (distance) C4'-P energy: -76.907
bonds (distance) P-C4' energy: -93.465
flat angles C4'-P-C4' energy: -84.259
flat angles P-C4'-P energy: -61.855
tors. eta vs tors. theta energy: -40.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 402
Temperature: 1.150000
Total energy: -575.014440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -575.014440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -575.014440 (E_RNA)
where:
Base-Base interactions energy: -235.554
where: short stacking energy: -181.431
Base-Backbone interact. energy: -1.568
local terms energy: -337.892865
where:
bonds (distance) C4'-P energy: -82.595
bonds (distance) P-C4' energy: -83.093
flat angles C4'-P-C4' energy: -82.879
flat angles P-C4'-P energy: -44.532
tors. eta vs tors. theta energy: -44.793
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 402
Temperature: 1.200000
Total energy: -449.447942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -449.447942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -449.447942 (E_RNA)
where:
Base-Base interactions energy: -172.890
where: short stacking energy: -139.741
Base-Backbone interact. energy: 2.670
local terms energy: -279.227379
where:
bonds (distance) C4'-P energy: -78.892
bonds (distance) P-C4' energy: -80.155
flat angles C4'-P-C4' energy: -68.304
flat angles P-C4'-P energy: -46.817
tors. eta vs tors. theta energy: -5.059
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: 9
=====================================
Write number: 402
Temperature: 1.250000
Total energy: -400.898809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -400.898809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -400.898809 (E_RNA)
where:
Base-Base interactions energy: -147.859
where: short stacking energy: -124.879
Base-Backbone interact. energy: 0.643
local terms energy: -253.682829
where:
bonds (distance) C4'-P energy: -83.188
bonds (distance) P-C4' energy: -85.500
flat angles C4'-P-C4' energy: -52.068
flat angles P-C4'-P energy: -37.868
tors. eta vs tors. theta energy: 4.941
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: 9, replica: 2
=====================================
Write number: 402
Temperature: 1.300000
Total energy: -387.988708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -387.988708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -387.988708 (E_RNA)
where:
Base-Base interactions energy: -137.637
where: short stacking energy: -107.866
Base-Backbone interact. energy: 4.965
local terms energy: -255.315723
where:
bonds (distance) C4'-P energy: -68.258
bonds (distance) P-C4' energy: -85.133
flat angles C4'-P-C4' energy: -74.135
flat angles P-C4'-P energy: -28.826
tors. eta vs tors. theta energy: 1.036
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 402
Temperature: 1.350000
Total energy: -349.752503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.752503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.752503 (E_RNA)
where:
Base-Base interactions energy: -88.256
where: short stacking energy: -77.030
Base-Backbone interact. energy: -1.754
local terms energy: -259.743145
where:
bonds (distance) C4'-P energy: -78.034
bonds (distance) P-C4' energy: -84.372
flat angles C4'-P-C4' energy: -68.166
flat angles P-C4'-P energy: -43.878
tors. eta vs tors. theta energy: 14.707
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 403
Temperature: 0.900000
Total energy: -1292.901526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1292.901526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1292.901526 (E_RNA)
where:
Base-Base interactions energy: -779.607
where: short stacking energy: -438.886
Base-Backbone interact. energy: -1.750
local terms energy: -511.544097
where:
bonds (distance) C4'-P energy: -95.351
bonds (distance) P-C4' energy: -97.146
flat angles C4'-P-C4' energy: -113.642
flat angles P-C4'-P energy: -68.742
tors. eta vs tors. theta energy: -136.664
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 403
Temperature: 0.950000
Total energy: -1084.550922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1084.550922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1084.550922 (E_RNA)
where:
Base-Base interactions energy: -615.426
where: short stacking energy: -377.945
Base-Backbone interact. energy: -0.346
local terms energy: -468.778924
where:
bonds (distance) C4'-P energy: -100.881
bonds (distance) P-C4' energy: -100.396
flat angles C4'-P-C4' energy: -86.213
flat angles P-C4'-P energy: -66.513
tors. eta vs tors. theta energy: -114.776
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 403
Temperature: 1.000000
Total energy: -918.514316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -918.514316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -918.514316 (E_RNA)
where:
Base-Base interactions energy: -504.857
where: short stacking energy: -316.890
Base-Backbone interact. energy: -2.389
local terms energy: -411.268307
where:
bonds (distance) C4'-P energy: -89.174
bonds (distance) P-C4' energy: -87.910
flat angles C4'-P-C4' energy: -89.302
flat angles P-C4'-P energy: -64.012
tors. eta vs tors. theta energy: -80.870
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: 4, replica: 3
=====================================
Write number: 403
Temperature: 1.050000
Total energy: -754.371009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -754.371009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -754.371009 (E_RNA)
where:
Base-Base interactions energy: -369.536
where: short stacking energy: -233.185
Base-Backbone interact. energy: 0.702
local terms energy: -385.537733
where:
bonds (distance) C4'-P energy: -82.531
bonds (distance) P-C4' energy: -98.266
flat angles C4'-P-C4' energy: -89.206
flat angles P-C4'-P energy: -61.590
tors. eta vs tors. theta energy: -53.944
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 403
Temperature: 1.100000
Total energy: -685.756598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -685.756598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -685.756598 (E_RNA)
where:
Base-Base interactions energy: -328.159
where: short stacking energy: -222.362
Base-Backbone interact. energy: -1.485
local terms energy: -356.112620
where:
bonds (distance) C4'-P energy: -81.134
bonds (distance) P-C4' energy: -93.005
flat angles C4'-P-C4' energy: -92.436
flat angles P-C4'-P energy: -46.011
tors. eta vs tors. theta energy: -43.526
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 403
Temperature: 1.150000
Total energy: -624.014376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -624.014376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -624.014376 (E_RNA)
where:
Base-Base interactions energy: -284.440
where: short stacking energy: -226.019
Base-Backbone interact. energy: -0.824
local terms energy: -338.750310
where:
bonds (distance) C4'-P energy: -79.347
bonds (distance) P-C4' energy: -87.148
flat angles C4'-P-C4' energy: -84.174
flat angles P-C4'-P energy: -45.377
tors. eta vs tors. theta energy: -42.706
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: 8
=====================================
Write number: 403
Temperature: 1.200000
Total energy: -455.136543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -455.136543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -455.136543 (E_RNA)
where:
Base-Base interactions energy: -168.057
where: short stacking energy: -135.138
Base-Backbone interact. energy: -0.391
local terms energy: -286.689252
where:
bonds (distance) C4'-P energy: -76.477
bonds (distance) P-C4' energy: -88.449
flat angles C4'-P-C4' energy: -80.159
flat angles P-C4'-P energy: -43.579
tors. eta vs tors. theta energy: 1.975
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: 2
=====================================
Write number: 403
Temperature: 1.250000
Total energy: -404.368896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -404.368896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -404.368896 (E_RNA)
where:
Base-Base interactions energy: -126.696
where: short stacking energy: -120.406
Base-Backbone interact. energy: -1.178
local terms energy: -276.494710
where:
bonds (distance) C4'-P energy: -95.428
bonds (distance) P-C4' energy: -85.001
flat angles C4'-P-C4' energy: -62.279
flat angles P-C4'-P energy: -37.664
tors. eta vs tors. theta energy: 3.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 403
Temperature: 1.300000
Total energy: -375.787014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -375.787014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -375.787014 (E_RNA)
where:
Base-Base interactions energy: -152.091
where: short stacking energy: -135.183
Base-Backbone interact. energy: 4.244
local terms energy: -227.940260
where:
bonds (distance) C4'-P energy: -60.210
bonds (distance) P-C4' energy: -80.348
flat angles C4'-P-C4' energy: -52.980
flat angles P-C4'-P energy: -31.057
tors. eta vs tors. theta energy: -3.346
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: 10
=====================================
Write number: 403
Temperature: 1.350000
Total energy: -346.936497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.936497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.936497 (E_RNA)
where:
Base-Base interactions energy: -105.492
where: short stacking energy: -92.861
Base-Backbone interact. energy: 3.237
local terms energy: -244.681342
where:
bonds (distance) C4'-P energy: -70.072
bonds (distance) P-C4' energy: -70.955
flat angles C4'-P-C4' energy: -71.760
flat angles P-C4'-P energy: -41.516
tors. eta vs tors. theta energy: 9.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 404
Temperature: 0.900000
Total energy: -1310.655661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1310.655661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1310.655661 (E_RNA)
where:
Base-Base interactions energy: -800.409
where: short stacking energy: -454.181
Base-Backbone interact. energy: -3.308
local terms energy: -506.938303
where:
bonds (distance) C4'-P energy: -101.624
bonds (distance) P-C4' energy: -96.521
flat angles C4'-P-C4' energy: -100.896
flat angles P-C4'-P energy: -64.949
tors. eta vs tors. theta energy: -142.948
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: 2, replica: 4
=====================================
Write number: 404
Temperature: 0.950000
Total energy: -1098.536155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1098.536155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1098.536155 (E_RNA)
where:
Base-Base interactions energy: -642.194
where: short stacking energy: -398.205
Base-Backbone interact. energy: 1.540
local terms energy: -457.881849
where:
bonds (distance) C4'-P energy: -76.455
bonds (distance) P-C4' energy: -101.148
flat angles C4'-P-C4' energy: -95.661
flat angles P-C4'-P energy: -67.223
tors. eta vs tors. theta energy: -117.395
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: 3, replica: 7
=====================================
Write number: 404
Temperature: 1.000000
Total energy: -872.077073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -872.077073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -872.077073 (E_RNA)
where:
Base-Base interactions energy: -462.809
where: short stacking energy: -305.631
Base-Backbone interact. energy: -1.006
local terms energy: -408.262729
where:
bonds (distance) C4'-P energy: -99.402
bonds (distance) P-C4' energy: -87.988
flat angles C4'-P-C4' energy: -94.588
flat angles P-C4'-P energy: -55.533
tors. eta vs tors. theta energy: -70.752
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 404
Temperature: 1.050000
Total energy: -762.916594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -762.916594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -762.916594 (E_RNA)
where:
Base-Base interactions energy: -375.905
where: short stacking energy: -261.855
Base-Backbone interact. energy: -1.059
local terms energy: -385.952016
where:
bonds (distance) C4'-P energy: -77.743
bonds (distance) P-C4' energy: -87.737
flat angles C4'-P-C4' energy: -90.671
flat angles P-C4'-P energy: -67.914
tors. eta vs tors. theta energy: -61.886
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: 5, replica: 5
=====================================
Write number: 404
Temperature: 1.100000
Total energy: -631.805017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -631.805017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -631.805017 (E_RNA)
where:
Base-Base interactions energy: -290.032
where: short stacking energy: -211.524
Base-Backbone interact. energy: 4.393
local terms energy: -346.165847
where:
bonds (distance) C4'-P energy: -86.303
bonds (distance) P-C4' energy: -86.142
flat angles C4'-P-C4' energy: -76.131
flat angles P-C4'-P energy: -55.125
tors. eta vs tors. theta energy: -42.464
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: 6, replica: 6
=====================================
Write number: 404
Temperature: 1.150000
Total energy: -637.096005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -637.096005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -637.096005 (E_RNA)
where:
Base-Base interactions energy: -299.670
where: short stacking energy: -203.115
Base-Backbone interact. energy: -1.913
local terms energy: -335.513265
where:
bonds (distance) C4'-P energy: -83.849
bonds (distance) P-C4' energy: -91.485
flat angles C4'-P-C4' energy: -77.871
flat angles P-C4'-P energy: -48.012
tors. eta vs tors. theta energy: -34.296
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: 8
=====================================
Write number: 404
Temperature: 1.200000
Total energy: -502.410836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.410836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.410836 (E_RNA)
where:
Base-Base interactions energy: -198.704
where: short stacking energy: -158.253
Base-Backbone interact. energy: -1.168
local terms energy: -302.539364
where:
bonds (distance) C4'-P energy: -78.131
bonds (distance) P-C4' energy: -83.512
flat angles C4'-P-C4' energy: -86.519
flat angles P-C4'-P energy: -39.370
tors. eta vs tors. theta energy: -15.007
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: 2
=====================================
Write number: 404
Temperature: 1.250000
Total energy: -424.912826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -424.912826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -424.912826 (E_RNA)
where:
Base-Base interactions energy: -154.007
where: short stacking energy: -133.821
Base-Backbone interact. energy: -2.011
local terms energy: -268.894674
where:
bonds (distance) C4'-P energy: -78.351
bonds (distance) P-C4' energy: -79.644
flat angles C4'-P-C4' energy: -64.227
flat angles P-C4'-P energy: -32.829
tors. eta vs tors. theta energy: -13.844
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 404
Temperature: 1.300000
Total energy: -394.315747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -394.315747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -394.315747 (E_RNA)
where:
Base-Base interactions energy: -146.206
where: short stacking energy: -129.677
Base-Backbone interact. energy: 4.642
local terms energy: -252.751585
where:
bonds (distance) C4'-P energy: -61.592
bonds (distance) P-C4' energy: -86.335
flat angles C4'-P-C4' energy: -67.442
flat angles P-C4'-P energy: -41.257
tors. eta vs tors. theta energy: 3.874
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 404
Temperature: 1.350000
Total energy: -362.622455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.622455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.622455 (E_RNA)
where:
Base-Base interactions energy: -121.362
where: short stacking energy: -105.297
Base-Backbone interact. energy: 0.416
local terms energy: -241.677006
where:
bonds (distance) C4'-P energy: -63.054
bonds (distance) P-C4' energy: -77.368
flat angles C4'-P-C4' energy: -55.620
flat angles P-C4'-P energy: -37.809
tors. eta vs tors. theta energy: -7.827
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: 405
Temperature: 0.900000
Total energy: -1302.819181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1302.819181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1302.819181 (E_RNA)
where:
Base-Base interactions energy: -789.981
where: short stacking energy: -448.185
Base-Backbone interact. energy: 2.293
local terms energy: -515.130284
where:
bonds (distance) C4'-P energy: -89.689
bonds (distance) P-C4' energy: -103.738
flat angles C4'-P-C4' energy: -109.060
flat angles P-C4'-P energy: -65.456
tors. eta vs tors. theta energy: -147.188
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: 4
=====================================
Write number: 405
Temperature: 0.950000
Total energy: -1097.476284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1097.476284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1097.476284 (E_RNA)
where:
Base-Base interactions energy: -640.438
where: short stacking energy: -392.560
Base-Backbone interact. energy: -1.069
local terms energy: -455.969534
where:
bonds (distance) C4'-P energy: -94.337
bonds (distance) P-C4' energy: -81.302
flat angles C4'-P-C4' energy: -100.077
flat angles P-C4'-P energy: -65.490
tors. eta vs tors. theta energy: -114.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 405
Temperature: 1.000000
Total energy: -931.277789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -931.277789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -931.277789 (E_RNA)
where:
Base-Base interactions energy: -520.198
where: short stacking energy: -337.232
Base-Backbone interact. energy: -4.032
local terms energy: -407.048271
where:
bonds (distance) C4'-P energy: -87.434
bonds (distance) P-C4' energy: -78.064
flat angles C4'-P-C4' energy: -94.091
flat angles P-C4'-P energy: -56.586
tors. eta vs tors. theta energy: -90.873
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 405
Temperature: 1.050000
Total energy: -801.676802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -801.676802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -801.676802 (E_RNA)
where:
Base-Base interactions energy: -426.105
where: short stacking energy: -268.882
Base-Backbone interact. energy: -2.298
local terms energy: -373.273586
where:
bonds (distance) C4'-P energy: -85.245
bonds (distance) P-C4' energy: -84.731
flat angles C4'-P-C4' energy: -88.733
flat angles P-C4'-P energy: -45.147
tors. eta vs tors. theta energy: -69.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 405
Temperature: 1.100000
Total energy: -622.182508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -622.182508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -622.182508 (E_RNA)
where:
Base-Base interactions energy: -289.946
where: short stacking energy: -192.885
Base-Backbone interact. energy: -2.440
local terms energy: -329.797126
where:
bonds (distance) C4'-P energy: -73.364
bonds (distance) P-C4' energy: -81.900
flat angles C4'-P-C4' energy: -86.765
flat angles P-C4'-P energy: -57.248
tors. eta vs tors. theta energy: -30.521
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 405
Temperature: 1.150000
Total energy: -618.874415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -618.874415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -618.874415 (E_RNA)
where:
Base-Base interactions energy: -299.869
where: short stacking energy: -200.575
Base-Backbone interact. energy: -0.482
local terms energy: -318.523241
where:
bonds (distance) C4'-P energy: -81.761
bonds (distance) P-C4' energy: -82.236
flat angles C4'-P-C4' energy: -85.143
flat angles P-C4'-P energy: -50.280
tors. eta vs tors. theta energy: -19.103
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 405
Temperature: 1.200000
Total energy: -463.438127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -463.438127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -463.438127 (E_RNA)
where:
Base-Base interactions energy: -164.299
where: short stacking energy: -145.496
Base-Backbone interact. energy: -1.031
local terms energy: -298.108632
where:
bonds (distance) C4'-P energy: -84.811
bonds (distance) P-C4' energy: -86.770
flat angles C4'-P-C4' energy: -69.060
flat angles P-C4'-P energy: -45.108
tors. eta vs tors. theta energy: -12.360
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: 405
Temperature: 1.250000
Total energy: -401.456873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -401.456873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -401.456873 (E_RNA)
where:
Base-Base interactions energy: -134.107
where: short stacking energy: -109.967
Base-Backbone interact. energy: -1.216
local terms energy: -266.133462
where:
bonds (distance) C4'-P energy: -69.597
bonds (distance) P-C4' energy: -92.008
flat angles C4'-P-C4' energy: -69.738
flat angles P-C4'-P energy: -47.704
tors. eta vs tors. theta energy: 12.914
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: 2
=====================================
Write number: 405
Temperature: 1.300000
Total energy: -372.314209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -372.314209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -372.314209 (E_RNA)
where:
Base-Base interactions energy: -120.093
where: short stacking energy: -102.340
Base-Backbone interact. energy: 2.832
local terms energy: -255.053804
where:
bonds (distance) C4'-P energy: -74.766
bonds (distance) P-C4' energy: -80.160
flat angles C4'-P-C4' energy: -74.736
flat angles P-C4'-P energy: -33.451
tors. eta vs tors. theta energy: 8.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 405
Temperature: 1.350000
Total energy: -357.884232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.884232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.884232 (E_RNA)
where:
Base-Base interactions energy: -129.022
where: short stacking energy: -98.335
Base-Backbone interact. energy: 2.830
local terms energy: -231.692375
where:
bonds (distance) C4'-P energy: -66.942
bonds (distance) P-C4' energy: -71.972
flat angles C4'-P-C4' energy: -71.411
flat angles P-C4'-P energy: -23.950
tors. eta vs tors. theta energy: 2.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 406
Temperature: 0.900000
Total energy: -1297.615812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1297.615812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1297.615812 (E_RNA)
where:
Base-Base interactions energy: -803.762
where: short stacking energy: -447.210
Base-Backbone interact. energy: -1.707
local terms energy: -492.147266
where:
bonds (distance) C4'-P energy: -92.611
bonds (distance) P-C4' energy: -88.777
flat angles C4'-P-C4' energy: -103.553
flat angles P-C4'-P energy: -72.144
tors. eta vs tors. theta energy: -135.062
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 406
Temperature: 0.950000
Total energy: -1069.504474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1069.504474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1069.504474 (E_RNA)
where:
Base-Base interactions energy: -600.289
where: short stacking energy: -360.532
Base-Backbone interact. energy: -1.530
local terms energy: -467.686193
where:
bonds (distance) C4'-P energy: -94.626
bonds (distance) P-C4' energy: -95.681
flat angles C4'-P-C4' energy: -99.895
flat angles P-C4'-P energy: -60.619
tors. eta vs tors. theta energy: -116.866
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 406
Temperature: 1.000000
Total energy: -945.050043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -945.050043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -945.050043 (E_RNA)
where:
Base-Base interactions energy: -520.573
where: short stacking energy: -324.097
Base-Backbone interact. energy: -2.674
local terms energy: -421.802680
where:
bonds (distance) C4'-P energy: -73.437
bonds (distance) P-C4' energy: -95.281
flat angles C4'-P-C4' energy: -99.865
flat angles P-C4'-P energy: -60.870
tors. eta vs tors. theta energy: -92.349
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 406
Temperature: 1.050000
Total energy: -794.848049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -794.848049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -794.848049 (E_RNA)
where:
Base-Base interactions energy: -417.226
where: short stacking energy: -255.696
Base-Backbone interact. energy: 1.399
local terms energy: -379.020857
where:
bonds (distance) C4'-P energy: -84.621
bonds (distance) P-C4' energy: -87.055
flat angles C4'-P-C4' energy: -96.121
flat angles P-C4'-P energy: -57.055
tors. eta vs tors. theta energy: -54.168
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 406
Temperature: 1.100000
Total energy: -681.780618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -681.780618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -681.780618 (E_RNA)
where:
Base-Base interactions energy: -350.391
where: short stacking energy: -233.179
Base-Backbone interact. energy: -1.328
local terms energy: -330.061658
where:
bonds (distance) C4'-P energy: -69.611
bonds (distance) P-C4' energy: -81.702
flat angles C4'-P-C4' energy: -75.481
flat angles P-C4'-P energy: -58.507
tors. eta vs tors. theta energy: -44.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 406
Temperature: 1.150000
Total energy: -569.552883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -569.552883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -569.552883 (E_RNA)
where:
Base-Base interactions energy: -244.785
where: short stacking energy: -192.974
Base-Backbone interact. energy: 0.296
local terms energy: -325.064137
where:
bonds (distance) C4'-P energy: -77.059
bonds (distance) P-C4' energy: -86.859
flat angles C4'-P-C4' energy: -76.955
flat angles P-C4'-P energy: -44.231
tors. eta vs tors. theta energy: -39.961
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: 406
Temperature: 1.200000
Total energy: -435.279367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -435.279367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -435.279367 (E_RNA)
where:
Base-Base interactions energy: -135.657
where: short stacking energy: -134.860
Base-Backbone interact. energy: 1.687
local terms energy: -301.308831
where:
bonds (distance) C4'-P energy: -92.306
bonds (distance) P-C4' energy: -90.110
flat angles C4'-P-C4' energy: -62.922
flat angles P-C4'-P energy: -56.134
tors. eta vs tors. theta energy: 0.162
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 406
Temperature: 1.250000
Total energy: -401.219690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -401.219690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -401.219690 (E_RNA)
where:
Base-Base interactions energy: -140.445
where: short stacking energy: -122.290
Base-Backbone interact. energy: 3.169
local terms energy: -263.943446
where:
bonds (distance) C4'-P energy: -70.579
bonds (distance) P-C4' energy: -80.202
flat angles C4'-P-C4' energy: -63.649
flat angles P-C4'-P energy: -47.272
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: 9, replica: 10
=====================================
Write number: 406
Temperature: 1.300000
Total energy: -373.063046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.063046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.063046 (E_RNA)
where:
Base-Base interactions energy: -146.095
where: short stacking energy: -133.421
Base-Backbone interact. energy: -0.904
local terms energy: -226.064179
where:
bonds (distance) C4'-P energy: -74.202
bonds (distance) P-C4' energy: -86.336
flat angles C4'-P-C4' energy: -51.365
flat angles P-C4'-P energy: -26.999
tors. eta vs tors. theta energy: 12.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 406
Temperature: 1.350000
Total energy: -352.433043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.433043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.433043 (E_RNA)
where:
Base-Base interactions energy: -116.724
where: short stacking energy: -98.184
Base-Backbone interact. energy: 5.988
local terms energy: -241.696855
where:
bonds (distance) C4'-P energy: -66.115
bonds (distance) P-C4' energy: -98.944
flat angles C4'-P-C4' energy: -49.934
flat angles P-C4'-P energy: -41.132
tors. eta vs tors. theta energy: 14.428
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: 1
=====================================
Write number: 407
Temperature: 0.900000
Total energy: -1271.252608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1271.252608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1271.252608 (E_RNA)
where:
Base-Base interactions energy: -785.474
where: short stacking energy: -448.291
Base-Backbone interact. energy: -2.242
local terms energy: -483.537166
where:
bonds (distance) C4'-P energy: -91.605
bonds (distance) P-C4' energy: -82.448
flat angles C4'-P-C4' energy: -110.530
flat angles P-C4'-P energy: -70.049
tors. eta vs tors. theta energy: -128.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 407
Temperature: 0.950000
Total energy: -1079.895749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1079.895749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1079.895749 (E_RNA)
where:
Base-Base interactions energy: -644.546
where: short stacking energy: -404.918
Base-Backbone interact. energy: -1.885
local terms energy: -433.465426
where:
bonds (distance) C4'-P energy: -88.751
bonds (distance) P-C4' energy: -83.176
flat angles C4'-P-C4' energy: -100.584
flat angles P-C4'-P energy: -53.890
tors. eta vs tors. theta energy: -107.063
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 407
Temperature: 1.000000
Total energy: -888.434615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -888.434615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -888.434615 (E_RNA)
where:
Base-Base interactions energy: -486.948
where: short stacking energy: -310.895
Base-Backbone interact. energy: 2.340
local terms energy: -403.827040
where:
bonds (distance) C4'-P energy: -84.256
bonds (distance) P-C4' energy: -88.242
flat angles C4'-P-C4' energy: -99.443
flat angles P-C4'-P energy: -53.529
tors. eta vs tors. theta energy: -78.356
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: 4, replica: 3
=====================================
Write number: 407
Temperature: 1.050000
Total energy: -776.058448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -776.058448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -776.058448 (E_RNA)
where:
Base-Base interactions energy: -392.929
where: short stacking energy: -283.196
Base-Backbone interact. energy: -1.644
local terms energy: -381.484626
where:
bonds (distance) C4'-P energy: -82.133
bonds (distance) P-C4' energy: -83.205
flat angles C4'-P-C4' energy: -85.975
flat angles P-C4'-P energy: -71.829
tors. eta vs tors. theta energy: -58.342
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 407
Temperature: 1.100000
Total energy: -636.365425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -636.365425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -636.365425 (E_RNA)
where:
Base-Base interactions energy: -281.638
where: short stacking energy: -198.094
Base-Backbone interact. energy: -0.687
local terms energy: -354.040614
where:
bonds (distance) C4'-P energy: -83.578
bonds (distance) P-C4' energy: -82.917
flat angles C4'-P-C4' energy: -83.944
flat angles P-C4'-P energy: -58.060
tors. eta vs tors. theta energy: -45.542
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 407
Temperature: 1.150000
Total energy: -589.087645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -589.087645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -589.087645 (E_RNA)
where:
Base-Base interactions energy: -266.511
where: short stacking energy: -193.296
Base-Backbone interact. energy: -0.918
local terms energy: -321.658710
where:
bonds (distance) C4'-P energy: -82.447
bonds (distance) P-C4' energy: -94.966
flat angles C4'-P-C4' energy: -74.114
flat angles P-C4'-P energy: -54.156
tors. eta vs tors. theta energy: -15.975
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: 407
Temperature: 1.200000
Total energy: -434.537798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -434.537798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -434.537798 (E_RNA)
where:
Base-Base interactions energy: -154.092
where: short stacking energy: -151.787
Base-Backbone interact. energy: 1.463
local terms energy: -281.908581
where:
bonds (distance) C4'-P energy: -80.744
bonds (distance) P-C4' energy: -77.201
flat angles C4'-P-C4' energy: -70.794
flat angles P-C4'-P energy: -47.013
tors. eta vs tors. theta energy: -6.156
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: 8
=====================================
Write number: 407
Temperature: 1.250000
Total energy: -405.241214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -405.241214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -405.241214 (E_RNA)
where:
Base-Base interactions energy: -132.233
where: short stacking energy: -112.961
Base-Backbone interact. energy: -1.235
local terms energy: -271.772738
where:
bonds (distance) C4'-P energy: -80.790
bonds (distance) P-C4' energy: -85.339
flat angles C4'-P-C4' energy: -73.233
flat angles P-C4'-P energy: -46.400
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: 407
Temperature: 1.300000
Total energy: -393.996848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.996848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -393.996848 (E_RNA)
where:
Base-Base interactions energy: -150.171
where: short stacking energy: -107.789
Base-Backbone interact. energy: -0.603
local terms energy: -243.222596
where:
bonds (distance) C4'-P energy: -72.039
bonds (distance) P-C4' energy: -84.786
flat angles C4'-P-C4' energy: -69.024
flat angles P-C4'-P energy: -24.469
tors. eta vs tors. theta energy: 7.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 407
Temperature: 1.350000
Total energy: -343.433880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.433880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.433880 (E_RNA)
where:
Base-Base interactions energy: -97.589
where: short stacking energy: -96.390
Base-Backbone interact. energy: -1.946
local terms energy: -243.899218
where:
bonds (distance) C4'-P energy: -59.697
bonds (distance) P-C4' energy: -86.155
flat angles C4'-P-C4' energy: -72.655
flat angles P-C4'-P energy: -41.721
tors. eta vs tors. theta energy: 16.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 408
Temperature: 0.900000
Total energy: -1308.912015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1308.912015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1308.912015 (E_RNA)
where:
Base-Base interactions energy: -793.841
where: short stacking energy: -460.446
Base-Backbone interact. energy: -1.263
local terms energy: -513.808569
where:
bonds (distance) C4'-P energy: -95.355
bonds (distance) P-C4' energy: -92.591
flat angles C4'-P-C4' energy: -112.383
flat angles P-C4'-P energy: -71.744
tors. eta vs tors. theta energy: -141.735
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 408
Temperature: 0.950000
Total energy: -1076.553616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1076.553616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1076.553616 (E_RNA)
where:
Base-Base interactions energy: -614.210
where: short stacking energy: -373.855
Base-Backbone interact. energy: -0.052
local terms energy: -462.291663
where:
bonds (distance) C4'-P energy: -82.155
bonds (distance) P-C4' energy: -90.704
flat angles C4'-P-C4' energy: -105.931
flat angles P-C4'-P energy: -71.901
tors. eta vs tors. theta energy: -111.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 408
Temperature: 1.000000
Total energy: -903.062463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -903.062463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -903.062463 (E_RNA)
where:
Base-Base interactions energy: -488.004
where: short stacking energy: -300.031
Base-Backbone interact. energy: 1.831
local terms energy: -416.888839
where:
bonds (distance) C4'-P energy: -85.694
bonds (distance) P-C4' energy: -84.205
flat angles C4'-P-C4' energy: -102.181
flat angles P-C4'-P energy: -51.685
tors. eta vs tors. theta energy: -93.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 408
Temperature: 1.050000
Total energy: -788.859016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -788.859016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -788.859016 (E_RNA)
where:
Base-Base interactions energy: -415.639
where: short stacking energy: -277.018
Base-Backbone interact. energy: 0.288
local terms energy: -373.508189
where:
bonds (distance) C4'-P energy: -74.874
bonds (distance) P-C4' energy: -85.948
flat angles C4'-P-C4' energy: -92.669
flat angles P-C4'-P energy: -60.969
tors. eta vs tors. theta energy: -59.048
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 408
Temperature: 1.100000
Total energy: -714.758810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -714.758810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -714.758810 (E_RNA)
where:
Base-Base interactions energy: -349.470
where: short stacking energy: -250.112
Base-Backbone interact. energy: 2.123
local terms energy: -367.412044
where:
bonds (distance) C4'-P energy: -79.402
bonds (distance) P-C4' energy: -81.647
flat angles C4'-P-C4' energy: -87.893
flat angles P-C4'-P energy: -61.835
tors. eta vs tors. theta energy: -56.635
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 408
Temperature: 1.150000
Total energy: -586.014398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -586.014398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -586.014398 (E_RNA)
where:
Base-Base interactions energy: -290.127
where: short stacking energy: -185.197
Base-Backbone interact. energy: 0.223
local terms energy: -296.110341
where:
bonds (distance) C4'-P energy: -71.611
bonds (distance) P-C4' energy: -84.972
flat angles C4'-P-C4' energy: -75.954
flat angles P-C4'-P energy: -38.919
tors. eta vs tors. theta energy: -24.654
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 408
Temperature: 1.200000
Total energy: -436.528010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -436.528010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -436.528010 (E_RNA)
where:
Base-Base interactions energy: -170.186
where: short stacking energy: -142.832
Base-Backbone interact. energy: -0.338
local terms energy: -266.004209
where:
bonds (distance) C4'-P energy: -79.433
bonds (distance) P-C4' energy: -88.571
flat angles C4'-P-C4' energy: -60.719
flat angles P-C4'-P energy: -38.650
tors. eta vs tors. theta energy: 1.368
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 408
Temperature: 1.250000
Total energy: -388.747244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -388.747244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -388.747244 (E_RNA)
where:
Base-Base interactions energy: -141.107
where: short stacking energy: -129.596
Base-Backbone interact. energy: 0.076
local terms energy: -247.716719
where:
bonds (distance) C4'-P energy: -72.265
bonds (distance) P-C4' energy: -77.453
flat angles C4'-P-C4' energy: -65.293
flat angles P-C4'-P energy: -38.761
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: 9, replica: 10
=====================================
Write number: 408
Temperature: 1.300000
Total energy: -364.832827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.832827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.832827 (E_RNA)
where:
Base-Base interactions energy: -109.181
where: short stacking energy: -100.481
Base-Backbone interact. energy: 0.956
local terms energy: -256.608675
where:
bonds (distance) C4'-P energy: -71.779
bonds (distance) P-C4' energy: -86.021
flat angles C4'-P-C4' energy: -67.635
flat angles P-C4'-P energy: -26.910
tors. eta vs tors. theta energy: -4.264
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 408
Temperature: 1.350000
Total energy: -345.464223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.464223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.464223 (E_RNA)
where:
Base-Base interactions energy: -109.839
where: short stacking energy: -96.934
Base-Backbone interact. energy: -1.162
local terms energy: -234.463594
where:
bonds (distance) C4'-P energy: -65.800
bonds (distance) P-C4' energy: -74.539
flat angles C4'-P-C4' energy: -64.649
flat angles P-C4'-P energy: -38.252
tors. eta vs tors. theta energy: 8.776
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: 409
Temperature: 0.900000
Total energy: -1289.710980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1289.710980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1289.710980 (E_RNA)
where:
Base-Base interactions energy: -787.999
where: short stacking energy: -452.081
Base-Backbone interact. energy: -0.897
local terms energy: -500.814849
where:
bonds (distance) C4'-P energy: -92.397
bonds (distance) P-C4' energy: -95.835
flat angles C4'-P-C4' energy: -100.394
flat angles P-C4'-P energy: -77.470
tors. eta vs tors. theta energy: -134.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 409
Temperature: 0.950000
Total energy: -1098.729875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1098.729875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1098.729875 (E_RNA)
where:
Base-Base interactions energy: -636.979
where: short stacking energy: -408.848
Base-Backbone interact. energy: -1.443
local terms energy: -460.307239
where:
bonds (distance) C4'-P energy: -76.293
bonds (distance) P-C4' energy: -98.522
flat angles C4'-P-C4' energy: -100.570
flat angles P-C4'-P energy: -61.747
tors. eta vs tors. theta energy: -123.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 409
Temperature: 1.000000
Total energy: -952.415585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -952.415585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -952.415585 (E_RNA)
where:
Base-Base interactions energy: -508.617
where: short stacking energy: -348.538
Base-Backbone interact. energy: -0.367
local terms energy: -443.431868
where:
bonds (distance) C4'-P energy: -93.724
bonds (distance) P-C4' energy: -89.414
flat angles C4'-P-C4' energy: -98.807
flat angles P-C4'-P energy: -66.951
tors. eta vs tors. theta energy: -94.535
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 409
Temperature: 1.050000
Total energy: -868.431506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -868.431506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -868.431506 (E_RNA)
where:
Base-Base interactions energy: -467.098
where: short stacking energy: -303.150
Base-Backbone interact. energy: -0.926
local terms energy: -400.407521
where:
bonds (distance) C4'-P energy: -70.002
bonds (distance) P-C4' energy: -102.221
flat angles C4'-P-C4' energy: -80.612
flat angles P-C4'-P energy: -69.012
tors. eta vs tors. theta energy: -78.561
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 409
Temperature: 1.100000
Total energy: -686.677345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -686.677345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -686.677345 (E_RNA)
where:
Base-Base interactions energy: -329.064
where: short stacking energy: -222.503
Base-Backbone interact. energy: -2.241
local terms energy: -355.372699
where:
bonds (distance) C4'-P energy: -88.953
bonds (distance) P-C4' energy: -94.703
flat angles C4'-P-C4' energy: -89.026
flat angles P-C4'-P energy: -49.184
tors. eta vs tors. theta energy: -33.507
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: 5
=====================================
Write number: 409
Temperature: 1.150000
Total energy: -584.242435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -584.242435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -584.242435 (E_RNA)
where:
Base-Base interactions energy: -254.716
where: short stacking energy: -192.263
Base-Backbone interact. energy: -2.136
local terms energy: -327.390497
where:
bonds (distance) C4'-P energy: -83.587
bonds (distance) P-C4' energy: -75.304
flat angles C4'-P-C4' energy: -79.148
flat angles P-C4'-P energy: -55.398
tors. eta vs tors. theta energy: -33.953
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 409
Temperature: 1.200000
Total energy: -427.806834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -427.806834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -427.806834 (E_RNA)
where:
Base-Base interactions energy: -132.101
where: short stacking energy: -123.265
Base-Backbone interact. energy: -1.948
local terms energy: -293.757749
where:
bonds (distance) C4'-P energy: -74.538
bonds (distance) P-C4' energy: -87.527
flat angles C4'-P-C4' energy: -77.270
flat angles P-C4'-P energy: -56.173
tors. eta vs tors. theta energy: 1.750
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 409
Temperature: 1.250000
Total energy: -425.026926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -425.026926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -425.026926 (E_RNA)
where:
Base-Base interactions energy: -155.264
where: short stacking energy: -139.921
Base-Backbone interact. energy: 0.194
local terms energy: -269.957397
where:
bonds (distance) C4'-P energy: -81.164
bonds (distance) P-C4' energy: -79.319
flat angles C4'-P-C4' energy: -75.063
flat angles P-C4'-P energy: -33.416
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: 9, replica: 10
=====================================
Write number: 409
Temperature: 1.300000
Total energy: -389.541153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -389.541153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -389.541153 (E_RNA)
where:
Base-Base interactions energy: -141.216
where: short stacking energy: -99.133
Base-Backbone interact. energy: 1.409
local terms energy: -249.735052
where:
bonds (distance) C4'-P energy: -65.541
bonds (distance) P-C4' energy: -78.661
flat angles C4'-P-C4' energy: -66.296
flat angles P-C4'-P energy: -38.504
tors. eta vs tors. theta energy: -0.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 409
Temperature: 1.350000
Total energy: -340.802686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.802686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.802686 (E_RNA)
where:
Base-Base interactions energy: -109.856
where: short stacking energy: -106.034
Base-Backbone interact. energy: -1.258
local terms energy: -229.688445
where:
bonds (distance) C4'-P energy: -63.012
bonds (distance) P-C4' energy: -66.898
flat angles C4'-P-C4' energy: -56.456
flat angles P-C4'-P energy: -46.379
tors. eta vs tors. theta energy: 3.056
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 410
Temperature: 0.900000
Total energy: -1313.521238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1313.521238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1313.521238 (E_RNA)
where:
Base-Base interactions energy: -806.408
where: short stacking energy: -435.618
Base-Backbone interact. energy: -2.439
local terms energy: -504.674026
where:
bonds (distance) C4'-P energy: -97.591
bonds (distance) P-C4' energy: -102.801
flat angles C4'-P-C4' energy: -106.425
flat angles P-C4'-P energy: -63.304
tors. eta vs tors. theta energy: -134.553
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 410
Temperature: 0.950000
Total energy: -1021.948386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1021.948386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1021.948386 (E_RNA)
where:
Base-Base interactions energy: -585.085
where: short stacking energy: -350.304
Base-Backbone interact. energy: -2.473
local terms energy: -434.390653
where:
bonds (distance) C4'-P energy: -89.946
bonds (distance) P-C4' energy: -103.807
flat angles C4'-P-C4' energy: -91.604
flat angles P-C4'-P energy: -52.154
tors. eta vs tors. theta energy: -96.880
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 410
Temperature: 1.000000
Total energy: -930.216100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -930.216100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -930.216100 (E_RNA)
where:
Base-Base interactions energy: -519.906
where: short stacking energy: -305.175
Base-Backbone interact. energy: 1.193
local terms energy: -411.502617
where:
bonds (distance) C4'-P energy: -85.622
bonds (distance) P-C4' energy: -87.260
flat angles C4'-P-C4' energy: -98.254
flat angles P-C4'-P energy: -59.212
tors. eta vs tors. theta energy: -81.154
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 410
Temperature: 1.050000
Total energy: -798.291832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -798.291832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -798.291832 (E_RNA)
where:
Base-Base interactions energy: -426.513
where: short stacking energy: -287.044
Base-Backbone interact. energy: -0.003
local terms energy: -371.775467
where:
bonds (distance) C4'-P energy: -78.480
bonds (distance) P-C4' energy: -83.781
flat angles C4'-P-C4' energy: -89.922
flat angles P-C4'-P energy: -57.984
tors. eta vs tors. theta energy: -61.609
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: 6
=====================================
Write number: 410
Temperature: 1.100000
Total energy: -704.571988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -704.571988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -704.571988 (E_RNA)
where:
Base-Base interactions energy: -364.108
where: short stacking energy: -232.691
Base-Backbone interact. energy: 0.084
local terms energy: -340.547751
where:
bonds (distance) C4'-P energy: -79.197
bonds (distance) P-C4' energy: -83.680
flat angles C4'-P-C4' energy: -71.517
flat angles P-C4'-P energy: -61.800
tors. eta vs tors. theta energy: -44.354
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 410
Temperature: 1.150000
Total energy: -534.993103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.993103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.993103 (E_RNA)
where:
Base-Base interactions energy: -234.543
where: short stacking energy: -155.562
Base-Backbone interact. energy: 1.037
local terms energy: -301.487203
where:
bonds (distance) C4'-P energy: -79.397
bonds (distance) P-C4' energy: -71.463
flat angles C4'-P-C4' energy: -79.733
flat angles P-C4'-P energy: -53.508
tors. eta vs tors. theta energy: -17.385
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: 8
=====================================
Write number: 410
Temperature: 1.200000
Total energy: -467.350109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -467.350109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -467.350109 (E_RNA)
where:
Base-Base interactions energy: -163.357
where: short stacking energy: -150.035
Base-Backbone interact. energy: -0.931
local terms energy: -303.061342
where:
bonds (distance) C4'-P energy: -79.341
bonds (distance) P-C4' energy: -91.544
flat angles C4'-P-C4' energy: -61.906
flat angles P-C4'-P energy: -56.441
tors. eta vs tors. theta energy: -13.829
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: 410
Temperature: 1.250000
Total energy: -393.915302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.915302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -393.915302 (E_RNA)
where:
Base-Base interactions energy: -115.929
where: short stacking energy: -111.367
Base-Backbone interact. energy: 0.319
local terms energy: -278.305370
where:
bonds (distance) C4'-P energy: -78.949
bonds (distance) P-C4' energy: -97.265
flat angles C4'-P-C4' energy: -71.427
flat angles P-C4'-P energy: -40.543
tors. eta vs tors. theta energy: 9.879
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: 2
=====================================
Write number: 410
Temperature: 1.300000
Total energy: -376.689638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -376.689638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -376.689638 (E_RNA)
where:
Base-Base interactions energy: -120.340
where: short stacking energy: -114.019
Base-Backbone interact. energy: 0.734
local terms energy: -257.083472
where:
bonds (distance) C4'-P energy: -75.979
bonds (distance) P-C4' energy: -84.455
flat angles C4'-P-C4' energy: -75.905
flat angles P-C4'-P energy: -36.620
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: 10
=====================================
Write number: 410
Temperature: 1.350000
Total energy: -375.714603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -375.714603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -375.714603 (E_RNA)
where:
Base-Base interactions energy: -115.478
where: short stacking energy: -100.235
Base-Backbone interact. energy: 0.107
local terms energy: -260.343331
where:
bonds (distance) C4'-P energy: -88.092
bonds (distance) P-C4' energy: -84.135
flat angles C4'-P-C4' energy: -62.275
flat angles P-C4'-P energy: -34.141
tors. eta vs tors. theta energy: 8.299
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 411
Temperature: 0.900000
Total energy: -1317.508516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1317.508516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1317.508516 (E_RNA)
where:
Base-Base interactions energy: -826.995
where: short stacking energy: -460.606
Base-Backbone interact. energy: -1.392
local terms energy: -489.121166
where:
bonds (distance) C4'-P energy: -91.246
bonds (distance) P-C4' energy: -91.978
flat angles C4'-P-C4' energy: -103.494
flat angles P-C4'-P energy: -68.201
tors. eta vs tors. theta energy: -134.202
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 411
Temperature: 0.950000
Total energy: -1010.668822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1010.668822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1010.668822 (E_RNA)
where:
Base-Base interactions energy: -576.907
where: short stacking energy: -367.292
Base-Backbone interact. energy: -0.538
local terms energy: -433.223301
where:
bonds (distance) C4'-P energy: -81.815
bonds (distance) P-C4' energy: -85.689
flat angles C4'-P-C4' energy: -93.561
flat angles P-C4'-P energy: -68.288
tors. eta vs tors. theta energy: -103.871
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: 4
=====================================
Write number: 411
Temperature: 1.000000
Total energy: -1019.707302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1019.707302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1019.707302 (E_RNA)
where:
Base-Base interactions energy: -564.257
where: short stacking energy: -350.952
Base-Backbone interact. energy: -1.197
local terms energy: -454.253485
where:
bonds (distance) C4'-P energy: -89.014
bonds (distance) P-C4' energy: -102.277
flat angles C4'-P-C4' energy: -99.715
flat angles P-C4'-P energy: -60.811
tors. eta vs tors. theta energy: -102.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 411
Temperature: 1.050000
Total energy: -753.598375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -753.598375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -753.598375 (E_RNA)
where:
Base-Base interactions energy: -388.890
where: short stacking energy: -252.654
Base-Backbone interact. energy: 1.002
local terms energy: -365.710438
where:
bonds (distance) C4'-P energy: -83.033
bonds (distance) P-C4' energy: -85.948
flat angles C4'-P-C4' energy: -95.654
flat angles P-C4'-P energy: -56.155
tors. eta vs tors. theta energy: -44.920
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 411
Temperature: 1.100000
Total energy: -699.687986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -699.687986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -699.687986 (E_RNA)
where:
Base-Base interactions energy: -354.666
where: short stacking energy: -240.644
Base-Backbone interact. energy: 1.550
local terms energy: -346.572247
where:
bonds (distance) C4'-P energy: -90.079
bonds (distance) P-C4' energy: -92.498
flat angles C4'-P-C4' energy: -73.997
flat angles P-C4'-P energy: -44.617
tors. eta vs tors. theta energy: -45.382
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 411
Temperature: 1.150000
Total energy: -584.587927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -584.587927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -584.587927 (E_RNA)
where:
Base-Base interactions energy: -261.681
where: short stacking energy: -195.081
Base-Backbone interact. energy: 5.993
local terms energy: -328.899647
where:
bonds (distance) C4'-P energy: -81.188
bonds (distance) P-C4' energy: -92.055
flat angles C4'-P-C4' energy: -72.751
flat angles P-C4'-P energy: -48.308
tors. eta vs tors. theta energy: -34.597
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 411
Temperature: 1.200000
Total energy: -478.728038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.728038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -478.728038 (E_RNA)
where:
Base-Base interactions energy: -183.198
where: short stacking energy: -142.078
Base-Backbone interact. energy: -2.076
local terms energy: -293.453717
where:
bonds (distance) C4'-P energy: -73.379
bonds (distance) P-C4' energy: -91.760
flat angles C4'-P-C4' energy: -73.028
flat angles P-C4'-P energy: -45.990
tors. eta vs tors. theta energy: -9.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 411
Temperature: 1.250000
Total energy: -409.913903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -409.913903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -409.913903 (E_RNA)
where:
Base-Base interactions energy: -134.029
where: short stacking energy: -123.559
Base-Backbone interact. energy: -1.314
local terms energy: -274.570918
where:
bonds (distance) C4'-P energy: -66.090
bonds (distance) P-C4' energy: -73.464
flat angles C4'-P-C4' energy: -72.930
flat angles P-C4'-P energy: -55.738
tors. eta vs tors. theta energy: -6.349
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: 2
=====================================
Write number: 411
Temperature: 1.300000
Total energy: -372.233707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -372.233707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -372.233707 (E_RNA)
where:
Base-Base interactions energy: -131.646
where: short stacking energy: -111.047
Base-Backbone interact. energy: 1.442
local terms energy: -242.029745
where:
bonds (distance) C4'-P energy: -74.635
bonds (distance) P-C4' energy: -84.496
flat angles C4'-P-C4' energy: -57.554
flat angles P-C4'-P energy: -43.698
tors. eta vs tors. theta energy: 18.354
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 411
Temperature: 1.350000
Total energy: -340.025854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.025854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.025854 (E_RNA)
where:
Base-Base interactions energy: -123.107
where: short stacking energy: -90.689
Base-Backbone interact. energy: -0.912
local terms energy: -216.007117
where:
bonds (distance) C4'-P energy: -74.404
bonds (distance) P-C4' energy: -76.685
flat angles C4'-P-C4' energy: -67.622
flat angles P-C4'-P energy: -34.941
tors. eta vs tors. theta energy: 37.646
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 412
Temperature: 0.900000
Total energy: -1292.727978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1292.727978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1292.727978 (E_RNA)
where:
Base-Base interactions energy: -789.305
where: short stacking energy: -419.880
Base-Backbone interact. energy: -2.551
local terms energy: -500.871582
where:
bonds (distance) C4'-P energy: -90.647
bonds (distance) P-C4' energy: -88.416
flat angles C4'-P-C4' energy: -105.700
flat angles P-C4'-P energy: -75.955
tors. eta vs tors. theta energy: -140.153
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 412
Temperature: 0.950000
Total energy: -954.556155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -954.556155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -954.556155 (E_RNA)
where:
Base-Base interactions energy: -544.090
where: short stacking energy: -333.799
Base-Backbone interact. energy: 1.285
local terms energy: -411.751095
where:
bonds (distance) C4'-P energy: -81.965
bonds (distance) P-C4' energy: -97.858
flat angles C4'-P-C4' energy: -92.725
flat angles P-C4'-P energy: -53.201
tors. eta vs tors. theta energy: -86.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 412
Temperature: 1.000000
Total energy: -996.673162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -996.673162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -996.673162 (E_RNA)
where:
Base-Base interactions energy: -550.577
where: short stacking energy: -354.573
Base-Backbone interact. energy: -1.313
local terms energy: -444.783709
where:
bonds (distance) C4'-P energy: -102.748
bonds (distance) P-C4' energy: -95.252
flat angles C4'-P-C4' energy: -85.474
flat angles P-C4'-P energy: -65.632
tors. eta vs tors. theta energy: -95.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 412
Temperature: 1.050000
Total energy: -771.482225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -771.482225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -771.482225 (E_RNA)
where:
Base-Base interactions energy: -380.621
where: short stacking energy: -267.781
Base-Backbone interact. energy: 2.317
local terms energy: -393.178735
where:
bonds (distance) C4'-P energy: -81.318
bonds (distance) P-C4' energy: -96.413
flat angles C4'-P-C4' energy: -86.447
flat angles P-C4'-P energy: -58.375
tors. eta vs tors. theta energy: -70.626
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 412
Temperature: 1.100000
Total energy: -724.134158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -724.134158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -724.134158 (E_RNA)
where:
Base-Base interactions energy: -354.484
where: short stacking energy: -221.623
Base-Backbone interact. energy: -1.352
local terms energy: -368.298846
where:
bonds (distance) C4'-P energy: -82.735
bonds (distance) P-C4' energy: -87.133
flat angles C4'-P-C4' energy: -92.532
flat angles P-C4'-P energy: -55.841
tors. eta vs tors. theta energy: -50.059
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 412
Temperature: 1.150000
Total energy: -564.664121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -564.664121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -564.664121 (E_RNA)
where:
Base-Base interactions energy: -248.146
where: short stacking energy: -159.334
Base-Backbone interact. energy: 1.227
local terms energy: -317.745543
where:
bonds (distance) C4'-P energy: -94.000
bonds (distance) P-C4' energy: -81.874
flat angles C4'-P-C4' energy: -80.660
flat angles P-C4'-P energy: -41.500
tors. eta vs tors. theta energy: -19.712
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 412
Temperature: 1.200000
Total energy: -458.062582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -458.062582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -458.062582 (E_RNA)
where:
Base-Base interactions energy: -186.624
where: short stacking energy: -160.482
Base-Backbone interact. energy: 1.974
local terms energy: -273.412712
where:
bonds (distance) C4'-P energy: -77.617
bonds (distance) P-C4' energy: -73.905
flat angles C4'-P-C4' energy: -79.989
flat angles P-C4'-P energy: -39.017
tors. eta vs tors. theta energy: -2.885
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 412
Temperature: 1.250000
Total energy: -415.747748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -415.747748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -415.747748 (E_RNA)
where:
Base-Base interactions energy: -151.539
where: short stacking energy: -141.434
Base-Backbone interact. energy: 4.328
local terms energy: -268.536504
where:
bonds (distance) C4'-P energy: -85.201
bonds (distance) P-C4' energy: -76.931
flat angles C4'-P-C4' energy: -58.061
flat angles P-C4'-P energy: -42.278
tors. eta vs tors. theta energy: -6.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 412
Temperature: 1.300000
Total energy: -390.022219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -390.022219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -390.022219 (E_RNA)
where:
Base-Base interactions energy: -136.411
where: short stacking energy: -112.618
Base-Backbone interact. energy: 4.375
local terms energy: -257.985828
where:
bonds (distance) C4'-P energy: -90.502
bonds (distance) P-C4' energy: -76.839
flat angles C4'-P-C4' energy: -72.646
flat angles P-C4'-P energy: -33.198
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: 10
=====================================
Write number: 412
Temperature: 1.350000
Total energy: -337.532169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.532169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.532169 (E_RNA)
where:
Base-Base interactions energy: -89.020
where: short stacking energy: -83.166
Base-Backbone interact. energy: 1.240
local terms energy: -249.751599
where:
bonds (distance) C4'-P energy: -68.298
bonds (distance) P-C4' energy: -94.244
flat angles C4'-P-C4' energy: -62.004
flat angles P-C4'-P energy: -45.507
tors. eta vs tors. theta energy: 20.302
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: 1
=====================================
Write number: 413
Temperature: 0.900000
Total energy: -1279.379889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1279.379889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1279.379889 (E_RNA)
where:
Base-Base interactions energy: -790.058
where: short stacking energy: -432.037
Base-Backbone interact. energy: -0.698
local terms energy: -488.624493
where:
bonds (distance) C4'-P energy: -91.073
bonds (distance) P-C4' energy: -97.697
flat angles C4'-P-C4' energy: -94.478
flat angles P-C4'-P energy: -68.801
tors. eta vs tors. theta energy: -136.577
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: 4
=====================================
Write number: 413
Temperature: 0.950000
Total energy: -1074.087241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1074.087241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1074.087241 (E_RNA)
where:
Base-Base interactions energy: -611.193
where: short stacking energy: -356.005
Base-Backbone interact. energy: 2.575
local terms energy: -465.469684
where:
bonds (distance) C4'-P energy: -93.095
bonds (distance) P-C4' energy: -92.630
flat angles C4'-P-C4' energy: -111.601
flat angles P-C4'-P energy: -65.008
tors. eta vs tors. theta energy: -103.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 413
Temperature: 1.000000
Total energy: -941.979300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -941.979300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -941.979300 (E_RNA)
where:
Base-Base interactions energy: -516.702
where: short stacking energy: -327.601
Base-Backbone interact. energy: -0.622
local terms energy: -424.655205
where:
bonds (distance) C4'-P energy: -83.224
bonds (distance) P-C4' energy: -89.725
flat angles C4'-P-C4' energy: -100.239
flat angles P-C4'-P energy: -54.021
tors. eta vs tors. theta energy: -97.446
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 413
Temperature: 1.050000
Total energy: -774.579100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -774.579100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -774.579100 (E_RNA)
where:
Base-Base interactions energy: -413.962
where: short stacking energy: -249.495
Base-Backbone interact. energy: 1.360
local terms energy: -361.977435
where:
bonds (distance) C4'-P energy: -83.806
bonds (distance) P-C4' energy: -98.615
flat angles C4'-P-C4' energy: -81.727
flat angles P-C4'-P energy: -52.429
tors. eta vs tors. theta energy: -45.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 413
Temperature: 1.100000
Total energy: -711.352896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -711.352896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -711.352896 (E_RNA)
where:
Base-Base interactions energy: -369.469
where: short stacking energy: -235.096
Base-Backbone interact. energy: 4.677
local terms energy: -346.560743
where:
bonds (distance) C4'-P energy: -82.493
bonds (distance) P-C4' energy: -82.448
flat angles C4'-P-C4' energy: -87.141
flat angles P-C4'-P energy: -45.747
tors. eta vs tors. theta energy: -48.731
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: 6, replica: 5
=====================================
Write number: 413
Temperature: 1.150000
Total energy: -615.314616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -615.314616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -615.314616 (E_RNA)
where:
Base-Base interactions energy: -290.947
where: short stacking energy: -202.888
Base-Backbone interact. energy: -0.242
local terms energy: -324.125965
where:
bonds (distance) C4'-P energy: -78.921
bonds (distance) P-C4' energy: -77.551
flat angles C4'-P-C4' energy: -87.373
flat angles P-C4'-P energy: -46.558
tors. eta vs tors. theta energy: -33.723
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 413
Temperature: 1.200000
Total energy: -486.549557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -486.549557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -486.549557 (E_RNA)
where:
Base-Base interactions energy: -187.228
where: short stacking energy: -162.465
Base-Backbone interact. energy: -1.216
local terms energy: -298.105598
where:
bonds (distance) C4'-P energy: -78.626
bonds (distance) P-C4' energy: -80.018
flat angles C4'-P-C4' energy: -66.025
flat angles P-C4'-P energy: -56.508
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: 8, replica: 9
=====================================
Write number: 413
Temperature: 1.250000
Total energy: -423.694682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -423.694682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -423.694682 (E_RNA)
where:
Base-Base interactions energy: -121.489
where: short stacking energy: -112.005
Base-Backbone interact. energy: 2.230
local terms energy: -304.435433
where:
bonds (distance) C4'-P energy: -80.416
bonds (distance) P-C4' energy: -94.681
flat angles C4'-P-C4' energy: -66.014
flat angles P-C4'-P energy: -54.839
tors. eta vs tors. theta energy: -8.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 413
Temperature: 1.300000
Total energy: -375.672387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -375.672387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -375.672387 (E_RNA)
where:
Base-Base interactions energy: -134.098
where: short stacking energy: -118.193
Base-Backbone interact. energy: -1.180
local terms energy: -240.393700
where:
bonds (distance) C4'-P energy: -77.150
bonds (distance) P-C4' energy: -83.425
flat angles C4'-P-C4' energy: -66.321
flat angles P-C4'-P energy: -20.783
tors. eta vs tors. theta energy: 7.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 413
Temperature: 1.350000
Total energy: -337.272211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.272211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.272211 (E_RNA)
where:
Base-Base interactions energy: -98.710
where: short stacking energy: -92.151
Base-Backbone interact. energy: 0.243
local terms energy: -238.805325
where:
bonds (distance) C4'-P energy: -72.226
bonds (distance) P-C4' energy: -89.661
flat angles C4'-P-C4' energy: -48.351
flat angles P-C4'-P energy: -46.259
tors. eta vs tors. theta energy: 17.692
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: 1, replica: 1
=====================================
Write number: 414
Temperature: 0.900000
Total energy: -1263.289296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1263.289296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1263.289296 (E_RNA)
where:
Base-Base interactions energy: -788.402
where: short stacking energy: -434.185
Base-Backbone interact. energy: -0.525
local terms energy: -474.362314
where:
bonds (distance) C4'-P energy: -87.385
bonds (distance) P-C4' energy: -85.702
flat angles C4'-P-C4' energy: -102.939
flat angles P-C4'-P energy: -63.955
tors. eta vs tors. theta energy: -134.382
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 414
Temperature: 0.950000
Total energy: -1075.268591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1075.268591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1075.268591 (E_RNA)
where:
Base-Base interactions energy: -613.830
where: short stacking energy: -368.512
Base-Backbone interact. energy: -0.867
local terms energy: -460.572360
where:
bonds (distance) C4'-P energy: -92.064
bonds (distance) P-C4' energy: -91.747
flat angles C4'-P-C4' energy: -99.740
flat angles P-C4'-P energy: -70.341
tors. eta vs tors. theta energy: -106.680
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: 7
=====================================
Write number: 414
Temperature: 1.000000
Total energy: -917.961926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -917.961926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -917.961926 (E_RNA)
where:
Base-Base interactions energy: -474.334
where: short stacking energy: -300.236
Base-Backbone interact. energy: -1.154
local terms energy: -442.473940
where:
bonds (distance) C4'-P energy: -98.713
bonds (distance) P-C4' energy: -98.231
flat angles C4'-P-C4' energy: -92.278
flat angles P-C4'-P energy: -63.781
tors. eta vs tors. theta energy: -89.471
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: 3
=====================================
Write number: 414
Temperature: 1.050000
Total energy: -779.780405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -779.780405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -779.780405 (E_RNA)
where:
Base-Base interactions energy: -414.998
where: short stacking energy: -258.838
Base-Backbone interact. energy: 3.434
local terms energy: -368.215735
where:
bonds (distance) C4'-P energy: -81.299
bonds (distance) P-C4' energy: -86.026
flat angles C4'-P-C4' energy: -83.867
flat angles P-C4'-P energy: -55.249
tors. eta vs tors. theta energy: -61.774
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: 5, replica: 6
=====================================
Write number: 414
Temperature: 1.100000
Total energy: -699.619824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -699.619824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -699.619824 (E_RNA)
where:
Base-Base interactions energy: -352.266
where: short stacking energy: -244.428
Base-Backbone interact. energy: -1.289
local terms energy: -346.065567
where:
bonds (distance) C4'-P energy: -80.640
bonds (distance) P-C4' energy: -79.440
flat angles C4'-P-C4' energy: -85.136
flat angles P-C4'-P energy: -50.056
tors. eta vs tors. theta energy: -50.794
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 414
Temperature: 1.150000
Total energy: -627.586204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -627.586204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -627.586204 (E_RNA)
where:
Base-Base interactions energy: -275.121
where: short stacking energy: -202.546
Base-Backbone interact. energy: -2.446
local terms energy: -350.019419
where:
bonds (distance) C4'-P energy: -89.371
bonds (distance) P-C4' energy: -94.611
flat angles C4'-P-C4' energy: -78.817
flat angles P-C4'-P energy: -45.733
tors. eta vs tors. theta energy: -41.488
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 414
Temperature: 1.200000
Total energy: -483.818262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.818262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -483.818262 (E_RNA)
where:
Base-Base interactions energy: -196.405
where: short stacking energy: -152.350
Base-Backbone interact. energy: -1.541
local terms energy: -285.872998
where:
bonds (distance) C4'-P energy: -70.743
bonds (distance) P-C4' energy: -80.657
flat angles C4'-P-C4' energy: -72.040
flat angles P-C4'-P energy: -54.649
tors. eta vs tors. theta energy: -7.784
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: 414
Temperature: 1.250000
Total energy: -405.866575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -405.866575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -405.866575 (E_RNA)
where:
Base-Base interactions energy: -130.117
where: short stacking energy: -117.913
Base-Backbone interact. energy: -0.767
local terms energy: -274.982316
where:
bonds (distance) C4'-P energy: -76.789
bonds (distance) P-C4' energy: -87.320
flat angles C4'-P-C4' energy: -62.136
flat angles P-C4'-P energy: -44.814
tors. eta vs tors. theta energy: -3.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 414
Temperature: 1.300000
Total energy: -389.324267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -389.324267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -389.324267 (E_RNA)
where:
Base-Base interactions energy: -116.737
where: short stacking energy: -106.815
Base-Backbone interact. energy: -0.594
local terms energy: -271.992964
where:
bonds (distance) C4'-P energy: -78.180
bonds (distance) P-C4' energy: -91.930
flat angles C4'-P-C4' energy: -61.549
flat angles P-C4'-P energy: -49.576
tors. eta vs tors. theta energy: 9.242
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: 414
Temperature: 1.350000
Total energy: -348.910588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.910588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.910588 (E_RNA)
where:
Base-Base interactions energy: -117.854
where: short stacking energy: -103.930
Base-Backbone interact. energy: 3.644
local terms energy: -234.700433
where:
bonds (distance) C4'-P energy: -53.220
bonds (distance) P-C4' energy: -80.282
flat angles C4'-P-C4' energy: -69.128
flat angles P-C4'-P energy: -49.684
tors. eta vs tors. theta energy: 17.613
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: 1
=====================================
Write number: 415
Temperature: 0.900000
Total energy: -1276.428322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1276.428322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1276.428322 (E_RNA)
where:
Base-Base interactions energy: -787.830
where: short stacking energy: -444.031
Base-Backbone interact. energy: -1.842
local terms energy: -486.756598
where:
bonds (distance) C4'-P energy: -93.632
bonds (distance) P-C4' energy: -89.134
flat angles C4'-P-C4' energy: -107.645
flat angles P-C4'-P energy: -64.234
tors. eta vs tors. theta energy: -132.112
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: 4
=====================================
Write number: 415
Temperature: 0.950000
Total energy: -1077.827994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1077.827994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1077.827994 (E_RNA)
where:
Base-Base interactions energy: -605.540
where: short stacking energy: -367.890
Base-Backbone interact. energy: 2.114
local terms energy: -474.402005
where:
bonds (distance) C4'-P energy: -91.448
bonds (distance) P-C4' energy: -93.768
flat angles C4'-P-C4' energy: -98.285
flat angles P-C4'-P energy: -75.367
tors. eta vs tors. theta energy: -115.533
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: 3, replica: 7
=====================================
Write number: 415
Temperature: 1.000000
Total energy: -915.722418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -915.722418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -915.722418 (E_RNA)
where:
Base-Base interactions energy: -519.994
where: short stacking energy: -332.674
Base-Backbone interact. energy: 0.698
local terms energy: -396.426341
where:
bonds (distance) C4'-P energy: -89.558
bonds (distance) P-C4' energy: -88.773
flat angles C4'-P-C4' energy: -86.574
flat angles P-C4'-P energy: -41.310
tors. eta vs tors. theta energy: -90.211
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: 4, replica: 3
=====================================
Write number: 415
Temperature: 1.050000
Total energy: -773.906234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -773.906234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -773.906234 (E_RNA)
where:
Base-Base interactions energy: -383.296
where: short stacking energy: -236.677
Base-Backbone interact. energy: -0.361
local terms energy: -390.249016
where:
bonds (distance) C4'-P energy: -93.265
bonds (distance) P-C4' energy: -97.208
flat angles C4'-P-C4' energy: -97.048
flat angles P-C4'-P energy: -52.337
tors. eta vs tors. theta energy: -50.391
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 415
Temperature: 1.100000
Total energy: -688.892716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -688.892716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -688.892716 (E_RNA)
where:
Base-Base interactions energy: -333.707
where: short stacking energy: -217.493
Base-Backbone interact. energy: -1.348
local terms energy: -353.837530
where:
bonds (distance) C4'-P energy: -88.221
bonds (distance) P-C4' energy: -92.635
flat angles C4'-P-C4' energy: -75.700
flat angles P-C4'-P energy: -60.080
tors. eta vs tors. theta energy: -37.202
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 415
Temperature: 1.150000
Total energy: -575.898790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -575.898790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -575.898790 (E_RNA)
where:
Base-Base interactions energy: -245.198
where: short stacking energy: -177.784
Base-Backbone interact. energy: -0.662
local terms energy: -330.038844
where:
bonds (distance) C4'-P energy: -92.027
bonds (distance) P-C4' energy: -88.773
flat angles C4'-P-C4' energy: -75.856
flat angles P-C4'-P energy: -47.284
tors. eta vs tors. theta energy: -26.098
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 415
Temperature: 1.200000
Total energy: -447.483868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -447.483868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -447.483868 (E_RNA)
where:
Base-Base interactions energy: -150.479
where: short stacking energy: -147.390
Base-Backbone interact. energy: -0.526
local terms energy: -296.478864
where:
bonds (distance) C4'-P energy: -79.891
bonds (distance) P-C4' energy: -89.486
flat angles C4'-P-C4' energy: -68.238
flat angles P-C4'-P energy: -46.706
tors. eta vs tors. theta energy: -12.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 415
Temperature: 1.250000
Total energy: -413.415287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.415287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -413.415287 (E_RNA)
where:
Base-Base interactions energy: -165.227
where: short stacking energy: -131.106
Base-Backbone interact. energy: -0.353
local terms energy: -247.835398
where:
bonds (distance) C4'-P energy: -77.991
bonds (distance) P-C4' energy: -77.586
flat angles C4'-P-C4' energy: -51.471
flat angles P-C4'-P energy: -35.928
tors. eta vs tors. theta energy: -4.860
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 415
Temperature: 1.300000
Total energy: -382.856080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -382.856080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -382.856080 (E_RNA)
where:
Base-Base interactions energy: -124.820
where: short stacking energy: -101.955
Base-Backbone interact. energy: -0.811
local terms energy: -257.224996
where:
bonds (distance) C4'-P energy: -61.427
bonds (distance) P-C4' energy: -77.669
flat angles C4'-P-C4' energy: -79.398
flat angles P-C4'-P energy: -43.965
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: 10, replica: 10
=====================================
Write number: 415
Temperature: 1.350000
Total energy: -359.186822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.186822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.186822 (E_RNA)
where:
Base-Base interactions energy: -126.584
where: short stacking energy: -113.920
Base-Backbone interact. energy: 5.023
local terms energy: -237.625689
where:
bonds (distance) C4'-P energy: -71.178
bonds (distance) P-C4' energy: -67.350
flat angles C4'-P-C4' energy: -76.004
flat angles P-C4'-P energy: -34.424
tors. eta vs tors. theta energy: 11.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 416
Temperature: 0.900000
Total energy: -1287.260342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1287.260342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1287.260342 (E_RNA)
where:
Base-Base interactions energy: -807.027
where: short stacking energy: -444.606
Base-Backbone interact. energy: 0.936
local terms energy: -481.169229
where:
bonds (distance) C4'-P energy: -89.529
bonds (distance) P-C4' energy: -98.211
flat angles C4'-P-C4' energy: -99.921
flat angles P-C4'-P energy: -53.386
tors. eta vs tors. theta energy: -140.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 416
Temperature: 0.950000
Total energy: -1051.115214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1051.115214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1051.115214 (E_RNA)
where:
Base-Base interactions energy: -614.024
where: short stacking energy: -380.928
Base-Backbone interact. energy: -1.709
local terms energy: -435.382900
where:
bonds (distance) C4'-P energy: -84.009
bonds (distance) P-C4' energy: -93.507
flat angles C4'-P-C4' energy: -94.119
flat angles P-C4'-P energy: -57.808
tors. eta vs tors. theta energy: -105.939
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: 7
=====================================
Write number: 416
Temperature: 1.000000
Total energy: -964.384051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -964.384051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -964.384051 (E_RNA)
where:
Base-Base interactions energy: -515.155
where: short stacking energy: -332.014
Base-Backbone interact. energy: -3.006
local terms energy: -446.222497
where:
bonds (distance) C4'-P energy: -92.554
bonds (distance) P-C4' energy: -89.325
flat angles C4'-P-C4' energy: -94.559
flat angles P-C4'-P energy: -64.212
tors. eta vs tors. theta energy: -105.573
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 416
Temperature: 1.050000
Total energy: -798.397667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -798.397667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -798.397667 (E_RNA)
where:
Base-Base interactions energy: -416.282
where: short stacking energy: -277.077
Base-Backbone interact. energy: -0.017
local terms energy: -382.098193
where:
bonds (distance) C4'-P energy: -83.947
bonds (distance) P-C4' energy: -101.005
flat angles C4'-P-C4' energy: -82.770
flat angles P-C4'-P energy: -62.158
tors. eta vs tors. theta energy: -52.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 416
Temperature: 1.100000
Total energy: -661.478529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -661.478529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -661.478529 (E_RNA)
where:
Base-Base interactions energy: -340.185
where: short stacking energy: -200.937
Base-Backbone interact. energy: -2.880
local terms energy: -318.413806
where:
bonds (distance) C4'-P energy: -70.638
bonds (distance) P-C4' energy: -92.483
flat angles C4'-P-C4' energy: -68.420
flat angles P-C4'-P energy: -65.291
tors. eta vs tors. theta energy: -21.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 416
Temperature: 1.150000
Total energy: -586.717809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -586.717809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -586.717809 (E_RNA)
where:
Base-Base interactions energy: -257.490
where: short stacking energy: -188.245
Base-Backbone interact. energy: 3.505
local terms energy: -332.731997
where:
bonds (distance) C4'-P energy: -87.355
bonds (distance) P-C4' energy: -91.753
flat angles C4'-P-C4' energy: -78.985
flat angles P-C4'-P energy: -48.276
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: 7, replica: 9
=====================================
Write number: 416
Temperature: 1.200000
Total energy: -446.526474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -446.526474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -446.526474 (E_RNA)
where:
Base-Base interactions energy: -178.673
where: short stacking energy: -138.973
Base-Backbone interact. energy: 0.055
local terms energy: -267.909289
where:
bonds (distance) C4'-P energy: -66.220
bonds (distance) P-C4' energy: -78.806
flat angles C4'-P-C4' energy: -75.740
flat angles P-C4'-P energy: -48.590
tors. eta vs tors. theta energy: 1.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 416
Temperature: 1.250000
Total energy: -414.932505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.932505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.932505 (E_RNA)
where:
Base-Base interactions energy: -120.908
where: short stacking energy: -105.133
Base-Backbone interact. energy: 1.948
local terms energy: -295.972260
where:
bonds (distance) C4'-P energy: -71.842
bonds (distance) P-C4' energy: -89.061
flat angles C4'-P-C4' energy: -85.763
flat angles P-C4'-P energy: -49.295
tors. eta vs tors. theta energy: -0.011
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 416
Temperature: 1.300000
Total energy: -376.384675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -376.384675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -376.384675 (E_RNA)
where:
Base-Base interactions energy: -125.903
where: short stacking energy: -118.682
Base-Backbone interact. energy: 4.323
local terms energy: -254.804939
where:
bonds (distance) C4'-P energy: -70.850
bonds (distance) P-C4' energy: -75.910
flat angles C4'-P-C4' energy: -70.442
flat angles P-C4'-P energy: -49.440
tors. eta vs tors. theta energy: 11.837
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 416
Temperature: 1.350000
Total energy: -347.851216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.851216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.851216 (E_RNA)
where:
Base-Base interactions energy: -127.703
where: short stacking energy: -93.687
Base-Backbone interact. energy: -0.068
local terms energy: -220.080922
where:
bonds (distance) C4'-P energy: -86.576
bonds (distance) P-C4' energy: -76.192
flat angles C4'-P-C4' energy: -55.607
flat angles P-C4'-P energy: -26.754
tors. eta vs tors. theta energy: 25.048
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 417
Temperature: 0.900000
Total energy: -1282.850128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1282.850128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1282.850128 (E_RNA)
where:
Base-Base interactions energy: -767.916
where: short stacking energy: -425.858
Base-Backbone interact. energy: -0.550
local terms energy: -514.383274
where:
bonds (distance) C4'-P energy: -98.412
bonds (distance) P-C4' energy: -103.011
flat angles C4'-P-C4' energy: -112.081
flat angles P-C4'-P energy: -63.316
tors. eta vs tors. theta energy: -137.563
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 417
Temperature: 0.950000
Total energy: -1077.064540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1077.064540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1077.064540 (E_RNA)
where:
Base-Base interactions energy: -618.846
where: short stacking energy: -396.732
Base-Backbone interact. energy: -0.885
local terms energy: -457.333373
where:
bonds (distance) C4'-P energy: -89.036
bonds (distance) P-C4' energy: -95.202
flat angles C4'-P-C4' energy: -91.843
flat angles P-C4'-P energy: -68.133
tors. eta vs tors. theta energy: -113.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 417
Temperature: 1.000000
Total energy: -908.533420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -908.533420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -908.533420 (E_RNA)
where:
Base-Base interactions energy: -502.842
where: short stacking energy: -333.829
Base-Backbone interact. energy: 0.274
local terms energy: -405.964866
where:
bonds (distance) C4'-P energy: -87.784
bonds (distance) P-C4' energy: -86.366
flat angles C4'-P-C4' energy: -92.107
flat angles P-C4'-P energy: -55.528
tors. eta vs tors. theta energy: -84.179
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: 3
=====================================
Write number: 417
Temperature: 1.050000
Total energy: -757.730821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -757.730821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -757.730821 (E_RNA)
where:
Base-Base interactions energy: -403.135
where: short stacking energy: -259.622
Base-Backbone interact. energy: -0.466
local terms energy: -354.129702
where:
bonds (distance) C4'-P energy: -92.948
bonds (distance) P-C4' energy: -82.222
flat angles C4'-P-C4' energy: -90.942
flat angles P-C4'-P energy: -48.990
tors. eta vs tors. theta energy: -39.028
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: 6
=====================================
Write number: 417
Temperature: 1.100000
Total energy: -676.223372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -676.223372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -676.223372 (E_RNA)
where:
Base-Base interactions energy: -333.113
where: short stacking energy: -212.493
Base-Backbone interact. energy: -1.749
local terms energy: -341.361425
where:
bonds (distance) C4'-P energy: -81.524
bonds (distance) P-C4' energy: -79.262
flat angles C4'-P-C4' energy: -77.482
flat angles P-C4'-P energy: -70.108
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: 6, replica: 5
=====================================
Write number: 417
Temperature: 1.150000
Total energy: -577.366282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -577.366282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -577.366282 (E_RNA)
where:
Base-Base interactions energy: -245.847
where: short stacking energy: -186.300
Base-Backbone interact. energy: -0.967
local terms energy: -330.552525
where:
bonds (distance) C4'-P energy: -82.593
bonds (distance) P-C4' energy: -85.854
flat angles C4'-P-C4' energy: -83.995
flat angles P-C4'-P energy: -50.033
tors. eta vs tors. theta energy: -28.078
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 417
Temperature: 1.200000
Total energy: -462.181174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.181174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -462.181174 (E_RNA)
where:
Base-Base interactions energy: -170.715
where: short stacking energy: -145.911
Base-Backbone interact. energy: -0.145
local terms energy: -291.321987
where:
bonds (distance) C4'-P energy: -64.607
bonds (distance) P-C4' energy: -85.091
flat angles C4'-P-C4' energy: -77.495
flat angles P-C4'-P energy: -56.700
tors. eta vs tors. theta energy: -7.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 417
Temperature: 1.250000
Total energy: -415.768864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -415.768864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -415.768864 (E_RNA)
where:
Base-Base interactions energy: -154.048
where: short stacking energy: -127.136
Base-Backbone interact. energy: -1.294
local terms energy: -260.426969
where:
bonds (distance) C4'-P energy: -73.090
bonds (distance) P-C4' energy: -70.968
flat angles C4'-P-C4' energy: -74.289
flat angles P-C4'-P energy: -44.084
tors. eta vs tors. theta energy: 2.004
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 417
Temperature: 1.300000
Total energy: -407.144417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.144417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -407.144417 (E_RNA)
where:
Base-Base interactions energy: -123.451
where: short stacking energy: -122.410
Base-Backbone interact. energy: 0.237
local terms energy: -283.930533
where:
bonds (distance) C4'-P energy: -81.368
bonds (distance) P-C4' energy: -77.912
flat angles C4'-P-C4' energy: -67.035
flat angles P-C4'-P energy: -38.419
tors. eta vs tors. theta energy: -19.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 417
Temperature: 1.350000
Total energy: -343.042744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.042744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.042744 (E_RNA)
where:
Base-Base interactions energy: -116.634
where: short stacking energy: -113.550
Base-Backbone interact. energy: -1.398
local terms energy: -225.010363
where:
bonds (distance) C4'-P energy: -72.233
bonds (distance) P-C4' energy: -77.477
flat angles C4'-P-C4' energy: -54.375
flat angles P-C4'-P energy: -35.695
tors. eta vs tors. theta energy: 14.771
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: 1
=====================================
Write number: 418
Temperature: 0.900000
Total energy: -1292.373892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1292.373892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1292.373892 (E_RNA)
where:
Base-Base interactions energy: -777.418
where: short stacking energy: -432.534
Base-Backbone interact. energy: -3.344
local terms energy: -511.611836
where:
bonds (distance) C4'-P energy: -98.855
bonds (distance) P-C4' energy: -87.042
flat angles C4'-P-C4' energy: -115.497
flat angles P-C4'-P energy: -71.592
tors. eta vs tors. theta energy: -138.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 418
Temperature: 0.950000
Total energy: -1086.093006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1086.093006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1086.093006 (E_RNA)
where:
Base-Base interactions energy: -649.297
where: short stacking energy: -396.113
Base-Backbone interact. energy: 0.404
local terms energy: -437.200275
where:
bonds (distance) C4'-P energy: -75.933
bonds (distance) P-C4' energy: -82.409
flat angles C4'-P-C4' energy: -96.410
flat angles P-C4'-P energy: -65.565
tors. eta vs tors. theta energy: -116.883
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: 7
=====================================
Write number: 418
Temperature: 1.000000
Total energy: -931.787846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -931.787846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -931.787846 (E_RNA)
where:
Base-Base interactions energy: -518.340
where: short stacking energy: -304.570
Base-Backbone interact. energy: -2.031
local terms energy: -411.417028
where:
bonds (distance) C4'-P energy: -90.257
bonds (distance) P-C4' energy: -94.216
flat angles C4'-P-C4' energy: -90.462
flat angles P-C4'-P energy: -53.224
tors. eta vs tors. theta energy: -83.258
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: 418
Temperature: 1.050000
Total energy: -802.448134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -802.448134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -802.448134 (E_RNA)
where:
Base-Base interactions energy: -447.271
where: short stacking energy: -244.970
Base-Backbone interact. energy: 0.248
local terms energy: -355.425243
where:
bonds (distance) C4'-P energy: -99.319
bonds (distance) P-C4' energy: -80.786
flat angles C4'-P-C4' energy: -68.554
flat angles P-C4'-P energy: -57.712
tors. eta vs tors. theta energy: -49.054
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 418
Temperature: 1.100000
Total energy: -700.690178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -700.690178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -700.690178 (E_RNA)
where:
Base-Base interactions energy: -354.241
where: short stacking energy: -236.927
Base-Backbone interact. energy: 1.045
local terms energy: -347.494307
where:
bonds (distance) C4'-P energy: -83.051
bonds (distance) P-C4' energy: -85.811
flat angles C4'-P-C4' energy: -81.485
flat angles P-C4'-P energy: -56.575
tors. eta vs tors. theta energy: -40.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 418
Temperature: 1.150000
Total energy: -616.787848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -616.787848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -616.787848 (E_RNA)
where:
Base-Base interactions energy: -310.093
where: short stacking energy: -178.845
Base-Backbone interact. energy: 0.184
local terms energy: -306.878411
where:
bonds (distance) C4'-P energy: -85.523
bonds (distance) P-C4' energy: -88.268
flat angles C4'-P-C4' energy: -75.816
flat angles P-C4'-P energy: -44.143
tors. eta vs tors. theta energy: -13.128
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: 418
Temperature: 1.200000
Total energy: -444.855124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -444.855124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -444.855124 (E_RNA)
where:
Base-Base interactions energy: -146.657
where: short stacking energy: -135.437
Base-Backbone interact. energy: -1.066
local terms energy: -297.131988
where:
bonds (distance) C4'-P energy: -81.145
bonds (distance) P-C4' energy: -82.026
flat angles C4'-P-C4' energy: -80.453
flat angles P-C4'-P energy: -53.801
tors. eta vs tors. theta energy: 0.293
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 418
Temperature: 1.250000
Total energy: -410.659809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.659809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -410.659809 (E_RNA)
where:
Base-Base interactions energy: -137.133
where: short stacking energy: -122.387
Base-Backbone interact. energy: -0.156
local terms energy: -273.371672
where:
bonds (distance) C4'-P energy: -73.398
bonds (distance) P-C4' energy: -83.644
flat angles C4'-P-C4' energy: -69.426
flat angles P-C4'-P energy: -45.407
tors. eta vs tors. theta energy: -1.496
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: 10
=====================================
Write number: 418
Temperature: 1.300000
Total energy: -368.784652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.784652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.784652 (E_RNA)
where:
Base-Base interactions energy: -123.775
where: short stacking energy: -110.598
Base-Backbone interact. energy: 2.108
local terms energy: -247.117288
where:
bonds (distance) C4'-P energy: -77.290
bonds (distance) P-C4' energy: -75.756
flat angles C4'-P-C4' energy: -65.812
flat angles P-C4'-P energy: -29.911
tors. eta vs tors. theta energy: 1.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 418
Temperature: 1.350000
Total energy: -334.827710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.827710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.827710 (E_RNA)
where:
Base-Base interactions energy: -99.815
where: short stacking energy: -85.698
Base-Backbone interact. energy: 0.005
local terms energy: -235.018161
where:
bonds (distance) C4'-P energy: -85.459
bonds (distance) P-C4' energy: -86.324
flat angles C4'-P-C4' energy: -51.603
flat angles P-C4'-P energy: -38.209
tors. eta vs tors. theta energy: 26.577
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: 1
=====================================
Write number: 419
Temperature: 0.900000
Total energy: -1282.137041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1282.137041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1282.137041 (E_RNA)
where:
Base-Base interactions energy: -790.387
where: short stacking energy: -431.340
Base-Backbone interact. energy: -1.911
local terms energy: -489.839445
where:
bonds (distance) C4'-P energy: -95.766
bonds (distance) P-C4' energy: -94.185
flat angles C4'-P-C4' energy: -101.129
flat angles P-C4'-P energy: -60.530
tors. eta vs tors. theta energy: -138.229
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: 419
Temperature: 0.950000
Total energy: -1139.043293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1139.043293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1139.043293 (E_RNA)
where:
Base-Base interactions energy: -646.871
where: short stacking energy: -405.158
Base-Backbone interact. energy: -1.002
local terms energy: -491.170168
where:
bonds (distance) C4'-P energy: -90.481
bonds (distance) P-C4' energy: -92.266
flat angles C4'-P-C4' energy: -102.899
flat angles P-C4'-P energy: -69.716
tors. eta vs tors. theta energy: -135.808
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 419
Temperature: 1.000000
Total energy: -939.518356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -939.518356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -939.518356 (E_RNA)
where:
Base-Base interactions energy: -543.870
where: short stacking energy: -334.102
Base-Backbone interact. energy: -0.687
local terms energy: -394.961200
where:
bonds (distance) C4'-P energy: -81.183
bonds (distance) P-C4' energy: -92.249
flat angles C4'-P-C4' energy: -84.808
flat angles P-C4'-P energy: -57.709
tors. eta vs tors. theta energy: -79.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 419
Temperature: 1.050000
Total energy: -796.792307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -796.792307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -796.792307 (E_RNA)
where:
Base-Base interactions energy: -411.391
where: short stacking energy: -272.290
Base-Backbone interact. energy: -0.528
local terms energy: -384.873632
where:
bonds (distance) C4'-P energy: -79.134
bonds (distance) P-C4' energy: -87.715
flat angles C4'-P-C4' energy: -88.161
flat angles P-C4'-P energy: -55.417
tors. eta vs tors. theta energy: -74.447
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: 5
=====================================
Write number: 419
Temperature: 1.100000
Total energy: -712.170275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -712.170275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -712.170275 (E_RNA)
where:
Base-Base interactions energy: -367.362
where: short stacking energy: -249.662
Base-Backbone interact. energy: -1.486
local terms energy: -343.322859
where:
bonds (distance) C4'-P energy: -70.032
bonds (distance) P-C4' energy: -90.347
flat angles C4'-P-C4' energy: -80.748
flat angles P-C4'-P energy: -51.579
tors. eta vs tors. theta energy: -50.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 419
Temperature: 1.150000
Total energy: -620.164437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -620.164437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -620.164437 (E_RNA)
where:
Base-Base interactions energy: -282.287
where: short stacking energy: -187.534
Base-Backbone interact. energy: -1.163
local terms energy: -336.714937
where:
bonds (distance) C4'-P energy: -74.260
bonds (distance) P-C4' energy: -87.024
flat angles C4'-P-C4' energy: -80.166
flat angles P-C4'-P energy: -53.707
tors. eta vs tors. theta energy: -41.557
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 419
Temperature: 1.200000
Total energy: -449.062401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -449.062401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -449.062401 (E_RNA)
where:
Base-Base interactions energy: -151.473
where: short stacking energy: -143.751
Base-Backbone interact. energy: 2.831
local terms energy: -300.420410
where:
bonds (distance) C4'-P energy: -76.747
bonds (distance) P-C4' energy: -95.191
flat angles C4'-P-C4' energy: -78.744
flat angles P-C4'-P energy: -34.273
tors. eta vs tors. theta energy: -15.465
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: 8
=====================================
Write number: 419
Temperature: 1.250000
Total energy: -417.564970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.564970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.564970 (E_RNA)
where:
Base-Base interactions energy: -147.108
where: short stacking energy: -122.795
Base-Backbone interact. energy: -0.911
local terms energy: -269.545368
where:
bonds (distance) C4'-P energy: -76.129
bonds (distance) P-C4' energy: -84.457
flat angles C4'-P-C4' energy: -65.365
flat angles P-C4'-P energy: -52.801
tors. eta vs tors. theta energy: 9.206
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: 419
Temperature: 1.300000
Total energy: -384.203266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -384.203266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -384.203266 (E_RNA)
where:
Base-Base interactions energy: -133.624
where: short stacking energy: -112.547
Base-Backbone interact. energy: 4.349
local terms energy: -254.928230
where:
bonds (distance) C4'-P energy: -69.286
bonds (distance) P-C4' energy: -83.869
flat angles C4'-P-C4' energy: -68.602
flat angles P-C4'-P energy: -37.045
tors. eta vs tors. theta energy: 3.873
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: 2
=====================================
Write number: 419
Temperature: 1.350000
Total energy: -360.419708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.419708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.419708 (E_RNA)
where:
Base-Base interactions energy: -111.642
where: short stacking energy: -111.528
Base-Backbone interact. energy: 0.166
local terms energy: -248.943538
where:
bonds (distance) C4'-P energy: -64.786
bonds (distance) P-C4' energy: -85.272
flat angles C4'-P-C4' energy: -67.411
flat angles P-C4'-P energy: -42.618
tors. eta vs tors. theta energy: 11.143
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: 1
=====================================
Write number: 420
Temperature: 0.900000
Total energy: -1293.231592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1293.231592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1293.231592 (E_RNA)
where:
Base-Base interactions energy: -788.250
where: short stacking energy: -445.965
Base-Backbone interact. energy: -0.266
local terms energy: -504.714807
where:
bonds (distance) C4'-P energy: -98.134
bonds (distance) P-C4' energy: -93.637
flat angles C4'-P-C4' energy: -114.504
flat angles P-C4'-P energy: -63.508
tors. eta vs tors. theta energy: -134.932
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: 2, replica: 4
=====================================
Write number: 420
Temperature: 0.950000
Total energy: -1104.308535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1104.308535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1104.308535 (E_RNA)
where:
Base-Base interactions energy: -642.041
where: short stacking energy: -403.732
Base-Backbone interact. energy: -0.169
local terms energy: -462.098405
where:
bonds (distance) C4'-P energy: -89.036
bonds (distance) P-C4' energy: -88.694
flat angles C4'-P-C4' energy: -107.622
flat angles P-C4'-P energy: -61.827
tors. eta vs tors. theta energy: -114.919
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 420
Temperature: 1.000000
Total energy: -951.065391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -951.065391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -951.065391 (E_RNA)
where:
Base-Base interactions energy: -516.840
where: short stacking energy: -318.470
Base-Backbone interact. energy: -1.759
local terms energy: -432.466169
where:
bonds (distance) C4'-P energy: -84.936
bonds (distance) P-C4' energy: -97.682
flat angles C4'-P-C4' energy: -101.597
flat angles P-C4'-P energy: -62.239
tors. eta vs tors. theta energy: -86.013
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: 3
=====================================
Write number: 420
Temperature: 1.050000
Total energy: -780.540681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -780.540681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -780.540681 (E_RNA)
where:
Base-Base interactions energy: -415.404
where: short stacking energy: -266.842
Base-Backbone interact. energy: -2.635
local terms energy: -362.501999
where:
bonds (distance) C4'-P energy: -75.586
bonds (distance) P-C4' energy: -83.289
flat angles C4'-P-C4' energy: -88.098
flat angles P-C4'-P energy: -60.070
tors. eta vs tors. theta energy: -55.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 420
Temperature: 1.100000
Total energy: -700.994416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -700.994416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -700.994416 (E_RNA)
where:
Base-Base interactions energy: -344.755
where: short stacking energy: -249.410
Base-Backbone interact. energy: -0.922
local terms energy: -355.316905
where:
bonds (distance) C4'-P energy: -81.589
bonds (distance) P-C4' energy: -79.462
flat angles C4'-P-C4' energy: -82.530
flat angles P-C4'-P energy: -54.619
tors. eta vs tors. theta energy: -57.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 420
Temperature: 1.150000
Total energy: -620.009654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -620.009654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -620.009654 (E_RNA)
where:
Base-Base interactions energy: -303.278
where: short stacking energy: -191.636
Base-Backbone interact. energy: -0.475
local terms energy: -316.256199
where:
bonds (distance) C4'-P energy: -71.522
bonds (distance) P-C4' energy: -88.191
flat angles C4'-P-C4' energy: -69.649
flat angles P-C4'-P energy: -59.650
tors. eta vs tors. theta energy: -27.243
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 420
Temperature: 1.200000
Total energy: -467.884883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -467.884883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -467.884883 (E_RNA)
where:
Base-Base interactions energy: -162.915
where: short stacking energy: -142.571
Base-Backbone interact. energy: 0.614
local terms energy: -305.583621
where:
bonds (distance) C4'-P energy: -79.724
bonds (distance) P-C4' energy: -89.651
flat angles C4'-P-C4' energy: -77.449
flat angles P-C4'-P energy: -38.551
tors. eta vs tors. theta energy: -20.209
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 420
Temperature: 1.250000
Total energy: -411.545352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.545352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.545352 (E_RNA)
where:
Base-Base interactions energy: -130.606
where: short stacking energy: -122.825
Base-Backbone interact. energy: 0.861
local terms energy: -281.800036
where:
bonds (distance) C4'-P energy: -73.456
bonds (distance) P-C4' energy: -94.890
flat angles C4'-P-C4' energy: -72.776
flat angles P-C4'-P energy: -37.229
tors. eta vs tors. theta energy: -3.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 420
Temperature: 1.300000
Total energy: -399.190123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -399.190123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -399.190123 (E_RNA)
where:
Base-Base interactions energy: -129.962
where: short stacking energy: -113.936
Base-Backbone interact. energy: -0.614
local terms energy: -268.614636
where:
bonds (distance) C4'-P energy: -78.993
bonds (distance) P-C4' energy: -82.858
flat angles C4'-P-C4' energy: -67.221
flat angles P-C4'-P energy: -35.658
tors. eta vs tors. theta energy: -3.884
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 420
Temperature: 1.350000
Total energy: -361.556427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.556427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.556427 (E_RNA)
where:
Base-Base interactions energy: -125.658
where: short stacking energy: -104.517
Base-Backbone interact. energy: 0.950
local terms energy: -236.848375
where:
bonds (distance) C4'-P energy: -53.721
bonds (distance) P-C4' energy: -79.374
flat angles C4'-P-C4' energy: -79.839
flat angles P-C4'-P energy: -35.505
tors. eta vs tors. theta energy: 11.591
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 421
Temperature: 0.900000
Total energy: -1287.580998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1287.580998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1287.580998 (E_RNA)
where:
Base-Base interactions energy: -771.495
where: short stacking energy: -432.733
Base-Backbone interact. energy: -2.200
local terms energy: -513.885714
where:
bonds (distance) C4'-P energy: -102.836
bonds (distance) P-C4' energy: -97.704
flat angles C4'-P-C4' energy: -103.567
flat angles P-C4'-P energy: -66.902
tors. eta vs tors. theta energy: -142.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 421
Temperature: 0.950000
Total energy: -1102.533138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1102.533138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1102.533138 (E_RNA)
where:
Base-Base interactions energy: -638.773
where: short stacking energy: -398.360
Base-Backbone interact. energy: -0.929
local terms energy: -462.830931
where:
bonds (distance) C4'-P energy: -100.313
bonds (distance) P-C4' energy: -96.612
flat angles C4'-P-C4' energy: -98.200
flat angles P-C4'-P energy: -66.013
tors. eta vs tors. theta energy: -101.694
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 421
Temperature: 1.000000
Total energy: -944.641002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -944.641002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -944.641002 (E_RNA)
where:
Base-Base interactions energy: -535.812
where: short stacking energy: -319.749
Base-Backbone interact. energy: 0.873
local terms energy: -409.701968
where:
bonds (distance) C4'-P energy: -84.373
bonds (distance) P-C4' energy: -89.735
flat angles C4'-P-C4' energy: -96.185
flat angles P-C4'-P energy: -62.753
tors. eta vs tors. theta energy: -76.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 421
Temperature: 1.050000
Total energy: -779.008599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -779.008599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -779.008599 (E_RNA)
where:
Base-Base interactions energy: -394.404
where: short stacking energy: -251.915
Base-Backbone interact. energy: -0.098
local terms energy: -384.507123
where:
bonds (distance) C4'-P energy: -93.426
bonds (distance) P-C4' energy: -89.588
flat angles C4'-P-C4' energy: -94.846
flat angles P-C4'-P energy: -50.276
tors. eta vs tors. theta energy: -56.370
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 421
Temperature: 1.100000
Total energy: -678.023541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -678.023541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -678.023541 (E_RNA)
where:
Base-Base interactions energy: -324.509
where: short stacking energy: -215.120
Base-Backbone interact. energy: -0.712
local terms energy: -352.802481
where:
bonds (distance) C4'-P energy: -91.509
bonds (distance) P-C4' energy: -95.911
flat angles C4'-P-C4' energy: -83.468
flat angles P-C4'-P energy: -48.624
tors. eta vs tors. theta energy: -33.291
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 421
Temperature: 1.150000
Total energy: -612.033894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -612.033894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -612.033894 (E_RNA)
where:
Base-Base interactions energy: -293.721
where: short stacking energy: -195.057
Base-Backbone interact. energy: 1.263
local terms energy: -319.575362
where:
bonds (distance) C4'-P energy: -77.935
bonds (distance) P-C4' energy: -87.946
flat angles C4'-P-C4' energy: -82.229
flat angles P-C4'-P energy: -45.031
tors. eta vs tors. theta energy: -26.434
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 421
Temperature: 1.200000
Total energy: -439.569221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -439.569221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -439.569221 (E_RNA)
where:
Base-Base interactions energy: -168.017
where: short stacking energy: -139.456
Base-Backbone interact. energy: -2.257
local terms energy: -269.295964
where:
bonds (distance) C4'-P energy: -59.921
bonds (distance) P-C4' energy: -90.476
flat angles C4'-P-C4' energy: -70.918
flat angles P-C4'-P energy: -41.549
tors. eta vs tors. theta energy: -6.432
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 421
Temperature: 1.250000
Total energy: -413.479142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.479142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -413.479142 (E_RNA)
where:
Base-Base interactions energy: -121.872
where: short stacking energy: -106.546
Base-Backbone interact. energy: 1.295
local terms energy: -292.902313
where:
bonds (distance) C4'-P energy: -75.418
bonds (distance) P-C4' energy: -93.995
flat angles C4'-P-C4' energy: -77.474
flat angles P-C4'-P energy: -53.851
tors. eta vs tors. theta energy: 7.835
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: 421
Temperature: 1.300000
Total energy: -392.996278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.996278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -392.996278 (E_RNA)
where:
Base-Base interactions energy: -124.719
where: short stacking energy: -105.247
Base-Backbone interact. energy: 3.184
local terms energy: -271.460838
where:
bonds (distance) C4'-P energy: -79.443
bonds (distance) P-C4' energy: -82.097
flat angles C4'-P-C4' energy: -71.907
flat angles P-C4'-P energy: -50.876
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: 10, replica: 10
=====================================
Write number: 421
Temperature: 1.350000
Total energy: -358.655893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.655893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.655893 (E_RNA)
where:
Base-Base interactions energy: -111.624
where: short stacking energy: -97.164
Base-Backbone interact. energy: 2.150
local terms energy: -249.182095
where:
bonds (distance) C4'-P energy: -90.495
bonds (distance) P-C4' energy: -80.697
flat angles C4'-P-C4' energy: -54.513
flat angles P-C4'-P energy: -40.205
tors. eta vs tors. theta energy: 16.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 422
Temperature: 0.900000
Total energy: -1307.870523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1307.870523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1307.870523 (E_RNA)
where:
Base-Base interactions energy: -797.583
where: short stacking energy: -445.769
Base-Backbone interact. energy: -1.846
local terms energy: -508.442275
where:
bonds (distance) C4'-P energy: -93.530
bonds (distance) P-C4' energy: -104.978
flat angles C4'-P-C4' energy: -102.893
flat angles P-C4'-P energy: -67.832
tors. eta vs tors. theta energy: -139.209
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 422
Temperature: 0.950000
Total energy: -1074.639789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1074.639789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1074.639789 (E_RNA)
where:
Base-Base interactions energy: -630.216
where: short stacking energy: -399.917
Base-Backbone interact. energy: -0.235
local terms energy: -444.188741
where:
bonds (distance) C4'-P energy: -92.753
bonds (distance) P-C4' energy: -98.118
flat angles C4'-P-C4' energy: -103.140
flat angles P-C4'-P energy: -53.016
tors. eta vs tors. theta energy: -97.162
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 422
Temperature: 1.000000
Total energy: -948.021426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -948.021426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -948.021426 (E_RNA)
where:
Base-Base interactions energy: -529.152
where: short stacking energy: -328.238
Base-Backbone interact. energy: -0.845
local terms energy: -418.023886
where:
bonds (distance) C4'-P energy: -89.431
bonds (distance) P-C4' energy: -96.154
flat angles C4'-P-C4' energy: -90.853
flat angles P-C4'-P energy: -59.479
tors. eta vs tors. theta energy: -82.108
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 422
Temperature: 1.050000
Total energy: -810.524131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -810.524131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -810.524131 (E_RNA)
where:
Base-Base interactions energy: -417.079
where: short stacking energy: -279.398
Base-Backbone interact. energy: -1.686
local terms energy: -391.759422
where:
bonds (distance) C4'-P energy: -80.929
bonds (distance) P-C4' energy: -84.480
flat angles C4'-P-C4' energy: -86.809
flat angles P-C4'-P energy: -63.853
tors. eta vs tors. theta energy: -75.688
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: 5
=====================================
Write number: 422
Temperature: 1.100000
Total energy: -673.079833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -673.079833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -673.079833 (E_RNA)
where:
Base-Base interactions energy: -334.265
where: short stacking energy: -210.468
Base-Backbone interact. energy: -0.964
local terms energy: -337.850609
where:
bonds (distance) C4'-P energy: -82.923
bonds (distance) P-C4' energy: -86.596
flat angles C4'-P-C4' energy: -90.710
flat angles P-C4'-P energy: -41.425
tors. eta vs tors. theta energy: -36.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 422
Temperature: 1.150000
Total energy: -596.402443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -596.402443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -596.402443 (E_RNA)
where:
Base-Base interactions energy: -273.705
where: short stacking energy: -179.899
Base-Backbone interact. energy: -1.699
local terms energy: -320.998852
where:
bonds (distance) C4'-P energy: -81.688
bonds (distance) P-C4' energy: -86.300
flat angles C4'-P-C4' energy: -78.995
flat angles P-C4'-P energy: -51.847
tors. eta vs tors. theta energy: -22.168
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 422
Temperature: 1.200000
Total energy: -434.445420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -434.445420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -434.445420 (E_RNA)
where:
Base-Base interactions energy: -133.218
where: short stacking energy: -128.470
Base-Backbone interact. energy: 0.291
local terms energy: -301.518326
where:
bonds (distance) C4'-P energy: -97.384
bonds (distance) P-C4' energy: -71.757
flat angles C4'-P-C4' energy: -77.779
flat angles P-C4'-P energy: -50.564
tors. eta vs tors. theta energy: -4.034
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: 422
Temperature: 1.250000
Total energy: -435.268512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -435.268512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -435.268512 (E_RNA)
where:
Base-Base interactions energy: -145.597
where: short stacking energy: -137.811
Base-Backbone interact. energy: -0.062
local terms energy: -289.609671
where:
bonds (distance) C4'-P energy: -77.281
bonds (distance) P-C4' energy: -84.956
flat angles C4'-P-C4' energy: -89.134
flat angles P-C4'-P energy: -39.716
tors. eta vs tors. theta energy: 1.477
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 422
Temperature: 1.300000
Total energy: -405.292153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -405.292153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -405.292153 (E_RNA)
where:
Base-Base interactions energy: -138.895
where: short stacking energy: -135.877
Base-Backbone interact. energy: -0.741
local terms energy: -265.655739
where:
bonds (distance) C4'-P energy: -77.006
bonds (distance) P-C4' energy: -89.501
flat angles C4'-P-C4' energy: -65.211
flat angles P-C4'-P energy: -39.234
tors. eta vs tors. theta energy: 5.297
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: 8
=====================================
Write number: 422
Temperature: 1.350000
Total energy: -350.376877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.376877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.376877 (E_RNA)
where:
Base-Base interactions energy: -94.462
where: short stacking energy: -81.955
Base-Backbone interact. energy: 1.847
local terms energy: -257.761460
where:
bonds (distance) C4'-P energy: -75.995
bonds (distance) P-C4' energy: -98.878
flat angles C4'-P-C4' energy: -56.683
flat angles P-C4'-P energy: -39.825
tors. eta vs tors. theta energy: 13.620
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 423
Temperature: 0.900000
Total energy: -1308.636976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1308.636976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1308.636976 (E_RNA)
where:
Base-Base interactions energy: -820.053
where: short stacking energy: -455.779
Base-Backbone interact. energy: -1.524
local terms energy: -487.060301
where:
bonds (distance) C4'-P energy: -88.698
bonds (distance) P-C4' energy: -78.797
flat angles C4'-P-C4' energy: -104.124
flat angles P-C4'-P energy: -69.757
tors. eta vs tors. theta energy: -145.684
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: 4
=====================================
Write number: 423
Temperature: 0.950000
Total energy: -1091.625269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1091.625269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1091.625269 (E_RNA)
where:
Base-Base interactions energy: -622.802
where: short stacking energy: -384.925
Base-Backbone interact. energy: -0.903
local terms energy: -467.920462
where:
bonds (distance) C4'-P energy: -87.544
bonds (distance) P-C4' energy: -90.155
flat angles C4'-P-C4' energy: -106.474
flat angles P-C4'-P energy: -66.377
tors. eta vs tors. theta energy: -117.370
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 423
Temperature: 1.000000
Total energy: -951.880770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -951.880770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -951.880770 (E_RNA)
where:
Base-Base interactions energy: -510.825
where: short stacking energy: -342.097
Base-Backbone interact. energy: -0.110
local terms energy: -440.945968
where:
bonds (distance) C4'-P energy: -85.495
bonds (distance) P-C4' energy: -96.970
flat angles C4'-P-C4' energy: -99.297
flat angles P-C4'-P energy: -57.411
tors. eta vs tors. theta energy: -101.773
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: 423
Temperature: 1.050000
Total energy: -748.415030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -748.415030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -748.415030 (E_RNA)
where:
Base-Base interactions energy: -390.295
where: short stacking energy: -265.353
Base-Backbone interact. energy: -1.190
local terms energy: -356.929703
where:
bonds (distance) C4'-P energy: -66.814
bonds (distance) P-C4' energy: -83.520
flat angles C4'-P-C4' energy: -84.552
flat angles P-C4'-P energy: -61.399
tors. eta vs tors. theta energy: -60.643
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 423
Temperature: 1.100000
Total energy: -670.507224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -670.507224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -670.507224 (E_RNA)
where:
Base-Base interactions energy: -323.688
where: short stacking energy: -209.717
Base-Backbone interact. energy: -0.533
local terms energy: -346.287120
where:
bonds (distance) C4'-P energy: -84.017
bonds (distance) P-C4' energy: -98.164
flat angles C4'-P-C4' energy: -90.898
flat angles P-C4'-P energy: -48.515
tors. eta vs tors. theta energy: -24.693
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: 6
=====================================
Write number: 423
Temperature: 1.150000
Total energy: -610.671406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -610.671406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -610.671406 (E_RNA)
where:
Base-Base interactions energy: -286.251
where: short stacking energy: -175.529
Base-Backbone interact. energy: -0.455
local terms energy: -323.965546
where:
bonds (distance) C4'-P energy: -76.043
bonds (distance) P-C4' energy: -87.880
flat angles C4'-P-C4' energy: -84.143
flat angles P-C4'-P energy: -54.975
tors. eta vs tors. theta energy: -20.924
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 423
Temperature: 1.200000
Total energy: -483.940831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.940831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -483.940831 (E_RNA)
where:
Base-Base interactions energy: -186.828
where: short stacking energy: -163.081
Base-Backbone interact. energy: -1.737
local terms energy: -295.375982
where:
bonds (distance) C4'-P energy: -74.156
bonds (distance) P-C4' energy: -81.937
flat angles C4'-P-C4' energy: -87.996
flat angles P-C4'-P energy: -40.341
tors. eta vs tors. theta energy: -10.946
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: 2
=====================================
Write number: 423
Temperature: 1.250000
Total energy: -412.162448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.162448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.162448 (E_RNA)
where:
Base-Base interactions energy: -138.151
where: short stacking energy: -122.490
Base-Backbone interact. energy: 5.155
local terms energy: -279.167079
where:
bonds (distance) C4'-P energy: -77.429
bonds (distance) P-C4' energy: -83.512
flat angles C4'-P-C4' energy: -74.005
flat angles P-C4'-P energy: -52.187
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: 10
=====================================
Write number: 423
Temperature: 1.300000
Total energy: -360.525315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.525315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.525315 (E_RNA)
where:
Base-Base interactions energy: -119.643
where: short stacking energy: -101.644
Base-Backbone interact. energy: -1.016
local terms energy: -239.865946
where:
bonds (distance) C4'-P energy: -68.698
bonds (distance) P-C4' energy: -76.816
flat angles C4'-P-C4' energy: -56.351
flat angles P-C4'-P energy: -52.376
tors. eta vs tors. theta energy: 14.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 423
Temperature: 1.350000
Total energy: -357.321353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.321353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.321353 (E_RNA)
where:
Base-Base interactions energy: -109.702
where: short stacking energy: -101.122
Base-Backbone interact. energy: -0.266
local terms energy: -247.353086
where:
bonds (distance) C4'-P energy: -68.625
bonds (distance) P-C4' energy: -70.040
flat angles C4'-P-C4' energy: -78.800
flat angles P-C4'-P energy: -41.262
tors. eta vs tors. theta energy: 11.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 424
Temperature: 0.900000
Total energy: -1301.467673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1301.467673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1301.467673 (E_RNA)
where:
Base-Base interactions energy: -803.874
where: short stacking energy: -450.954
Base-Backbone interact. energy: -0.799
local terms energy: -496.795263
where:
bonds (distance) C4'-P energy: -91.225
bonds (distance) P-C4' energy: -98.466
flat angles C4'-P-C4' energy: -94.425
flat angles P-C4'-P energy: -72.426
tors. eta vs tors. theta energy: -140.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 424
Temperature: 0.950000
Total energy: -1090.572580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1090.572580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1090.572580 (E_RNA)
where:
Base-Base interactions energy: -628.384
where: short stacking energy: -408.002
Base-Backbone interact. energy: -0.610
local terms energy: -461.577697
where:
bonds (distance) C4'-P energy: -90.715
bonds (distance) P-C4' energy: -95.822
flat angles C4'-P-C4' energy: -92.504
flat angles P-C4'-P energy: -65.785
tors. eta vs tors. theta energy: -116.751
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: 3, replica: 7
=====================================
Write number: 424
Temperature: 1.000000
Total energy: -920.962307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -920.962307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -920.962307 (E_RNA)
where:
Base-Base interactions energy: -500.324
where: short stacking energy: -305.921
Base-Backbone interact. energy: 1.851
local terms energy: -422.489824
where:
bonds (distance) C4'-P energy: -93.915
bonds (distance) P-C4' energy: -91.926
flat angles C4'-P-C4' energy: -92.406
flat angles P-C4'-P energy: -52.156
tors. eta vs tors. theta energy: -92.087
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: 4, replica: 3
=====================================
Write number: 424
Temperature: 1.050000
Total energy: -739.832843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -739.832843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -739.832843 (E_RNA)
where:
Base-Base interactions energy: -377.757
where: short stacking energy: -239.852
Base-Backbone interact. energy: 0.076
local terms energy: -362.152080
where:
bonds (distance) C4'-P energy: -86.310
bonds (distance) P-C4' energy: -86.644
flat angles C4'-P-C4' energy: -75.305
flat angles P-C4'-P energy: -46.643
tors. eta vs tors. theta energy: -67.251
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 424
Temperature: 1.100000
Total energy: -686.826849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -686.826849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -686.826849 (E_RNA)
where:
Base-Base interactions energy: -346.861
where: short stacking energy: -215.217
Base-Backbone interact. energy: -0.041
local terms energy: -339.924022
where:
bonds (distance) C4'-P energy: -86.205
bonds (distance) P-C4' energy: -78.063
flat angles C4'-P-C4' energy: -81.815
flat angles P-C4'-P energy: -48.946
tors. eta vs tors. theta energy: -44.894
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: 6
=====================================
Write number: 424
Temperature: 1.150000
Total energy: -619.040167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -619.040167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -619.040167 (E_RNA)
where:
Base-Base interactions energy: -308.681
where: short stacking energy: -200.498
Base-Backbone interact. energy: -1.747
local terms energy: -308.611835
where:
bonds (distance) C4'-P energy: -80.604
bonds (distance) P-C4' energy: -72.254
flat angles C4'-P-C4' energy: -72.016
flat angles P-C4'-P energy: -58.994
tors. eta vs tors. theta energy: -24.744
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 424
Temperature: 1.200000
Total energy: -480.693815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -480.693815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -480.693815 (E_RNA)
where:
Base-Base interactions energy: -184.162
where: short stacking energy: -150.082
Base-Backbone interact. energy: -0.545
local terms energy: -295.987585
where:
bonds (distance) C4'-P energy: -57.939
bonds (distance) P-C4' energy: -76.927
flat angles C4'-P-C4' energy: -78.981
flat angles P-C4'-P energy: -60.231
tors. eta vs tors. theta energy: -21.910
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 424
Temperature: 1.250000
Total energy: -428.013761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -428.013761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -428.013761 (E_RNA)
where:
Base-Base interactions energy: -150.839
where: short stacking energy: -132.016
Base-Backbone interact. energy: 4.358
local terms energy: -281.533380
where:
bonds (distance) C4'-P energy: -98.912
bonds (distance) P-C4' energy: -75.955
flat angles C4'-P-C4' energy: -55.377
flat angles P-C4'-P energy: -51.845
tors. eta vs tors. theta energy: 0.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 424
Temperature: 1.300000
Total energy: -365.942821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.942821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.942821 (E_RNA)
where:
Base-Base interactions energy: -107.794
where: short stacking energy: -105.746
Base-Backbone interact. energy: 2.215
local terms energy: -260.363626
where:
bonds (distance) C4'-P energy: -73.473
bonds (distance) P-C4' energy: -86.373
flat angles C4'-P-C4' energy: -77.410
flat angles P-C4'-P energy: -39.857
tors. eta vs tors. theta energy: 16.749
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 424
Temperature: 1.350000
Total energy: -347.891996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.891996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.891996 (E_RNA)
where:
Base-Base interactions energy: -112.374
where: short stacking energy: -102.342
Base-Backbone interact. energy: 0.629
local terms energy: -236.147442
where:
bonds (distance) C4'-P energy: -78.472
bonds (distance) P-C4' energy: -73.232
flat angles C4'-P-C4' energy: -72.352
flat angles P-C4'-P energy: -33.834
tors. eta vs tors. theta energy: 21.742
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 425
Temperature: 0.900000
Total energy: -1317.324767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1317.324767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1317.324767 (E_RNA)
where:
Base-Base interactions energy: -807.172
where: short stacking energy: -454.217
Base-Backbone interact. energy: 0.283
local terms energy: -510.435911
where:
bonds (distance) C4'-P energy: -92.652
bonds (distance) P-C4' energy: -100.420
flat angles C4'-P-C4' energy: -107.326
flat angles P-C4'-P energy: -72.749
tors. eta vs tors. theta energy: -137.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 425
Temperature: 0.950000
Total energy: -1092.227847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1092.227847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1092.227847 (E_RNA)
where:
Base-Base interactions energy: -656.881
where: short stacking energy: -368.717
Base-Backbone interact. energy: 0.059
local terms energy: -435.405614
where:
bonds (distance) C4'-P energy: -91.884
bonds (distance) P-C4' energy: -72.806
flat angles C4'-P-C4' energy: -98.753
flat angles P-C4'-P energy: -73.121
tors. eta vs tors. theta energy: -98.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 425
Temperature: 1.000000
Total energy: -882.666817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -882.666817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -882.666817 (E_RNA)
where:
Base-Base interactions energy: -491.798
where: short stacking energy: -302.546
Base-Backbone interact. energy: -1.979
local terms energy: -388.889717
where:
bonds (distance) C4'-P energy: -85.988
bonds (distance) P-C4' energy: -92.322
flat angles C4'-P-C4' energy: -76.015
flat angles P-C4'-P energy: -53.665
tors. eta vs tors. theta energy: -80.900
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 425
Temperature: 1.050000
Total energy: -753.342517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -753.342517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -753.342517 (E_RNA)
where:
Base-Base interactions energy: -401.096
where: short stacking energy: -258.309
Base-Backbone interact. energy: 1.179
local terms energy: -353.424776
where:
bonds (distance) C4'-P energy: -91.322
bonds (distance) P-C4' energy: -90.324
flat angles C4'-P-C4' energy: -79.006
flat angles P-C4'-P energy: -50.973
tors. eta vs tors. theta energy: -41.799
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 425
Temperature: 1.100000
Total energy: -611.573689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -611.573689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -611.573689 (E_RNA)
where:
Base-Base interactions energy: -275.054
where: short stacking energy: -204.081
Base-Backbone interact. energy: -0.074
local terms energy: -336.445891
where:
bonds (distance) C4'-P energy: -89.760
bonds (distance) P-C4' energy: -87.740
flat angles C4'-P-C4' energy: -80.089
flat angles P-C4'-P energy: -35.540
tors. eta vs tors. theta energy: -43.317
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: 425
Temperature: 1.150000
Total energy: -625.516220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -625.516220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -625.516220 (E_RNA)
where:
Base-Base interactions energy: -305.630
where: short stacking energy: -196.954
Base-Backbone interact. energy: -0.368
local terms energy: -319.518903
where:
bonds (distance) C4'-P energy: -83.224
bonds (distance) P-C4' energy: -73.433
flat angles C4'-P-C4' energy: -81.056
flat angles P-C4'-P energy: -46.933
tors. eta vs tors. theta energy: -34.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 425
Temperature: 1.200000
Total energy: -465.550436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -465.550436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -465.550436 (E_RNA)
where:
Base-Base interactions energy: -175.069
where: short stacking energy: -161.698
Base-Backbone interact. energy: 4.112
local terms energy: -294.594035
where:
bonds (distance) C4'-P energy: -78.724
bonds (distance) P-C4' energy: -86.588
flat angles C4'-P-C4' energy: -73.452
flat angles P-C4'-P energy: -48.123
tors. eta vs tors. theta energy: -7.707
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 425
Temperature: 1.250000
Total energy: -421.276698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.276698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -421.276698 (E_RNA)
where:
Base-Base interactions energy: -156.574
where: short stacking energy: -124.634
Base-Backbone interact. energy: -1.391
local terms energy: -263.311168
where:
bonds (distance) C4'-P energy: -70.145
bonds (distance) P-C4' energy: -88.552
flat angles C4'-P-C4' energy: -68.119
flat angles P-C4'-P energy: -46.982
tors. eta vs tors. theta energy: 10.487
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 425
Temperature: 1.300000
Total energy: -384.573231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -384.573231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -384.573231 (E_RNA)
where:
Base-Base interactions energy: -117.082
where: short stacking energy: -84.617
Base-Backbone interact. energy: -2.262
local terms energy: -265.228572
where:
bonds (distance) C4'-P energy: -81.917
bonds (distance) P-C4' energy: -69.158
flat angles C4'-P-C4' energy: -70.088
flat angles P-C4'-P energy: -42.952
tors. eta vs tors. theta energy: -1.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 425
Temperature: 1.350000
Total energy: -380.860239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -380.860239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -380.860239 (E_RNA)
where:
Base-Base interactions energy: -116.265
where: short stacking energy: -97.195
Base-Backbone interact. energy: -0.463
local terms energy: -264.132093
where:
bonds (distance) C4'-P energy: -76.357
bonds (distance) P-C4' energy: -78.563
flat angles C4'-P-C4' energy: -57.629
flat angles P-C4'-P energy: -51.973
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: 1, replica: 1
=====================================
Write number: 426
Temperature: 0.900000
Total energy: -1302.458066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1302.458066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1302.458066 (E_RNA)
where:
Base-Base interactions energy: -787.300
where: short stacking energy: -451.518
Base-Backbone interact. energy: -2.491
local terms energy: -512.667205
where:
bonds (distance) C4'-P energy: -85.904
bonds (distance) P-C4' energy: -107.438
flat angles C4'-P-C4' energy: -110.260
flat angles P-C4'-P energy: -70.959
tors. eta vs tors. theta energy: -138.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 426
Temperature: 0.950000
Total energy: -1079.392080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1079.392080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1079.392080 (E_RNA)
where:
Base-Base interactions energy: -619.989
where: short stacking energy: -385.013
Base-Backbone interact. energy: -0.501
local terms energy: -458.902133
where:
bonds (distance) C4'-P energy: -94.969
bonds (distance) P-C4' energy: -94.199
flat angles C4'-P-C4' energy: -96.686
flat angles P-C4'-P energy: -59.343
tors. eta vs tors. theta energy: -113.704
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 426
Temperature: 1.000000
Total energy: -926.735950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -926.735950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -926.735950 (E_RNA)
where:
Base-Base interactions energy: -504.463
where: short stacking energy: -308.323
Base-Backbone interact. energy: -0.255
local terms energy: -422.017835
where:
bonds (distance) C4'-P energy: -88.749
bonds (distance) P-C4' energy: -89.443
flat angles C4'-P-C4' energy: -88.270
flat angles P-C4'-P energy: -70.334
tors. eta vs tors. theta energy: -85.222
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: 426
Temperature: 1.050000
Total energy: -747.208464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -747.208464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -747.208464 (E_RNA)
where:
Base-Base interactions energy: -369.420
where: short stacking energy: -253.166
Base-Backbone interact. energy: -0.924
local terms energy: -376.864366
where:
bonds (distance) C4'-P energy: -95.446
bonds (distance) P-C4' energy: -80.598
flat angles C4'-P-C4' energy: -91.182
flat angles P-C4'-P energy: -60.677
tors. eta vs tors. theta energy: -48.961
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: 5, replica: 6
=====================================
Write number: 426
Temperature: 1.100000
Total energy: -709.051333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -709.051333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -709.051333 (E_RNA)
where:
Base-Base interactions energy: -369.124
where: short stacking energy: -246.761
Base-Backbone interact. energy: -2.419
local terms energy: -337.508362
where:
bonds (distance) C4'-P energy: -74.178
bonds (distance) P-C4' energy: -87.347
flat angles C4'-P-C4' energy: -81.156
flat angles P-C4'-P energy: -48.438
tors. eta vs tors. theta energy: -46.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 426
Temperature: 1.150000
Total energy: -558.202957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -558.202957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -558.202957 (E_RNA)
where:
Base-Base interactions energy: -238.543
where: short stacking energy: -176.904
Base-Backbone interact. energy: 2.792
local terms energy: -322.451990
where:
bonds (distance) C4'-P energy: -79.993
bonds (distance) P-C4' energy: -85.306
flat angles C4'-P-C4' energy: -72.511
flat angles P-C4'-P energy: -57.427
tors. eta vs tors. theta energy: -27.215
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: 8
=====================================
Write number: 426
Temperature: 1.200000
Total energy: -435.208476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -435.208476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -435.208476 (E_RNA)
where:
Base-Base interactions energy: -175.054
where: short stacking energy: -135.023
Base-Backbone interact. energy: -2.376
local terms energy: -257.778726
where:
bonds (distance) C4'-P energy: -84.991
bonds (distance) P-C4' energy: -97.419
flat angles C4'-P-C4' energy: -57.866
flat angles P-C4'-P energy: -28.878
tors. eta vs tors. theta energy: 11.376
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 426
Temperature: 1.250000
Total energy: -468.018999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -468.018999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -468.018999 (E_RNA)
where:
Base-Base interactions energy: -187.826
where: short stacking energy: -115.242
Base-Backbone interact. energy: 0.304
local terms energy: -280.496565
where:
bonds (distance) C4'-P energy: -78.527
bonds (distance) P-C4' energy: -90.837
flat angles C4'-P-C4' energy: -70.117
flat angles P-C4'-P energy: -39.101
tors. eta vs tors. theta energy: -1.915
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: 9, replica: 10
=====================================
Write number: 426
Temperature: 1.300000
Total energy: -393.103698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.103698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -393.103698 (E_RNA)
where:
Base-Base interactions energy: -138.174
where: short stacking energy: -110.006
Base-Backbone interact. energy: 4.249
local terms energy: -259.178978
where:
bonds (distance) C4'-P energy: -71.445
bonds (distance) P-C4' energy: -84.798
flat angles C4'-P-C4' energy: -70.502
flat angles P-C4'-P energy: -36.414
tors. eta vs tors. theta energy: 3.981
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: 2
=====================================
Write number: 426
Temperature: 1.350000
Total energy: -347.054749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.054749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.054749 (E_RNA)
where:
Base-Base interactions energy: -114.824
where: short stacking energy: -92.158
Base-Backbone interact. energy: 0.090
local terms energy: -232.320478
where:
bonds (distance) C4'-P energy: -81.136
bonds (distance) P-C4' energy: -73.937
flat angles C4'-P-C4' energy: -68.730
flat angles P-C4'-P energy: -29.795
tors. eta vs tors. theta energy: 21.278
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: 1
=====================================
Write number: 427
Temperature: 0.900000
Total energy: -1311.404979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1311.404979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1311.404979 (E_RNA)
where:
Base-Base interactions energy: -805.488
where: short stacking energy: -470.950
Base-Backbone interact. energy: -1.883
local terms energy: -504.033601
where:
bonds (distance) C4'-P energy: -87.827
bonds (distance) P-C4' energy: -91.308
flat angles C4'-P-C4' energy: -107.201
flat angles P-C4'-P energy: -71.429
tors. eta vs tors. theta energy: -146.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 427
Temperature: 0.950000
Total energy: -1066.716689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1066.716689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1066.716689 (E_RNA)
where:
Base-Base interactions energy: -604.509
where: short stacking energy: -381.507
Base-Backbone interact. energy: -0.612
local terms energy: -461.596187
where:
bonds (distance) C4'-P energy: -93.928
bonds (distance) P-C4' energy: -95.419
flat angles C4'-P-C4' energy: -99.241
flat angles P-C4'-P energy: -63.057
tors. eta vs tors. theta energy: -109.950
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: 3, replica: 7
=====================================
Write number: 427
Temperature: 1.000000
Total energy: -891.408224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -891.408224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -891.408224 (E_RNA)
where:
Base-Base interactions energy: -478.896
where: short stacking energy: -284.246
Base-Backbone interact. energy: 1.304
local terms energy: -413.816086
where:
bonds (distance) C4'-P energy: -93.109
bonds (distance) P-C4' energy: -96.969
flat angles C4'-P-C4' energy: -101.979
flat angles P-C4'-P energy: -56.942
tors. eta vs tors. theta energy: -64.817
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: 6
=====================================
Write number: 427
Temperature: 1.050000
Total energy: -742.601660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -742.601660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -742.601660 (E_RNA)
where:
Base-Base interactions energy: -365.135
where: short stacking energy: -234.725
Base-Backbone interact. energy: -0.619
local terms energy: -376.847670
where:
bonds (distance) C4'-P energy: -96.606
bonds (distance) P-C4' energy: -81.564
flat angles C4'-P-C4' energy: -85.852
flat angles P-C4'-P energy: -60.482
tors. eta vs tors. theta energy: -52.343
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 427
Temperature: 1.100000
Total energy: -694.742755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -694.742755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -694.742755 (E_RNA)
where:
Base-Base interactions energy: -324.634
where: short stacking energy: -214.796
Base-Backbone interact. energy: -0.426
local terms energy: -369.683319
where:
bonds (distance) C4'-P energy: -85.371
bonds (distance) P-C4' energy: -100.656
flat angles C4'-P-C4' energy: -86.676
flat angles P-C4'-P energy: -59.615
tors. eta vs tors. theta energy: -37.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 427
Temperature: 1.150000
Total energy: -604.600074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -604.600074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -604.600074 (E_RNA)
where:
Base-Base interactions energy: -303.361
where: short stacking energy: -180.178
Base-Backbone interact. energy: -1.192
local terms energy: -300.046791
where:
bonds (distance) C4'-P energy: -87.004
bonds (distance) P-C4' energy: -74.573
flat angles C4'-P-C4' energy: -68.581
flat angles P-C4'-P energy: -51.443
tors. eta vs tors. theta energy: -18.445
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 427
Temperature: 1.200000
Total energy: -439.699272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -439.699272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -439.699272 (E_RNA)
where:
Base-Base interactions energy: -153.361
where: short stacking energy: -142.205
Base-Backbone interact. energy: -1.246
local terms energy: -285.092223
where:
bonds (distance) C4'-P energy: -74.596
bonds (distance) P-C4' energy: -85.298
flat angles C4'-P-C4' energy: -63.511
flat angles P-C4'-P energy: -51.523
tors. eta vs tors. theta energy: -10.163
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 427
Temperature: 1.250000
Total energy: -456.584930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -456.584930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -456.584930 (E_RNA)
where:
Base-Base interactions energy: -196.576
where: short stacking energy: -152.042
Base-Backbone interact. energy: 0.145
local terms energy: -260.153950
where:
bonds (distance) C4'-P energy: -61.234
bonds (distance) P-C4' energy: -82.028
flat angles C4'-P-C4' energy: -72.280
flat angles P-C4'-P energy: -32.701
tors. eta vs tors. theta energy: -11.911
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 427
Temperature: 1.300000
Total energy: -375.740463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -375.740463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -375.740463 (E_RNA)
where:
Base-Base interactions energy: -101.732
where: short stacking energy: -82.674
Base-Backbone interact. energy: -0.791
local terms energy: -273.217249
where:
bonds (distance) C4'-P energy: -92.715
bonds (distance) P-C4' energy: -80.612
flat angles C4'-P-C4' energy: -73.126
flat angles P-C4'-P energy: -44.940
tors. eta vs tors. theta energy: 18.176
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 427
Temperature: 1.350000
Total energy: -376.318621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -376.318621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -376.318621 (E_RNA)
where:
Base-Base interactions energy: -140.039
where: short stacking energy: -132.172
Base-Backbone interact. energy: 0.808
local terms energy: -237.086994
where:
bonds (distance) C4'-P energy: -67.485
bonds (distance) P-C4' energy: -83.294
flat angles C4'-P-C4' energy: -55.697
flat angles P-C4'-P energy: -42.258
tors. eta vs tors. theta energy: 11.646
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 428
Temperature: 0.900000
Total energy: -1306.163929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1306.163929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1306.163929 (E_RNA)
where:
Base-Base interactions energy: -809.012
where: short stacking energy: -451.246
Base-Backbone interact. energy: -1.289
local terms energy: -495.863016
where:
bonds (distance) C4'-P energy: -91.922
bonds (distance) P-C4' energy: -96.232
flat angles C4'-P-C4' energy: -101.652
flat angles P-C4'-P energy: -62.544
tors. eta vs tors. theta energy: -143.513
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 428
Temperature: 0.950000
Total energy: -1085.952936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1085.952936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1085.952936 (E_RNA)
where:
Base-Base interactions energy: -629.797
where: short stacking energy: -366.069
Base-Backbone interact. energy: 0.734
local terms energy: -456.890337
where:
bonds (distance) C4'-P energy: -91.276
bonds (distance) P-C4' energy: -85.191
flat angles C4'-P-C4' energy: -105.463
flat angles P-C4'-P energy: -69.126
tors. eta vs tors. theta energy: -105.834
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 428
Temperature: 1.000000
Total energy: -918.473089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -918.473089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -918.473089 (E_RNA)
where:
Base-Base interactions energy: -497.901
where: short stacking energy: -331.358
Base-Backbone interact. energy: -0.825
local terms energy: -419.747721
where:
bonds (distance) C4'-P energy: -78.485
bonds (distance) P-C4' energy: -92.094
flat angles C4'-P-C4' energy: -91.922
flat angles P-C4'-P energy: -64.365
tors. eta vs tors. theta energy: -92.882
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 428
Temperature: 1.050000
Total energy: -728.154081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -728.154081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -728.154081 (E_RNA)
where:
Base-Base interactions energy: -358.450
where: short stacking energy: -218.649
Base-Backbone interact. energy: -2.378
local terms energy: -367.325667
where:
bonds (distance) C4'-P energy: -84.320
bonds (distance) P-C4' energy: -86.773
flat angles C4'-P-C4' energy: -91.647
flat angles P-C4'-P energy: -55.746
tors. eta vs tors. theta energy: -48.840
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 428
Temperature: 1.100000
Total energy: -690.003597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -690.003597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -690.003597 (E_RNA)
where:
Base-Base interactions energy: -366.126
where: short stacking energy: -235.340
Base-Backbone interact. energy: 0.737
local terms energy: -324.614377
where:
bonds (distance) C4'-P energy: -62.455
bonds (distance) P-C4' energy: -95.746
flat angles C4'-P-C4' energy: -78.187
flat angles P-C4'-P energy: -45.668
tors. eta vs tors. theta energy: -42.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 428
Temperature: 1.150000
Total energy: -624.652626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -624.652626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -624.652626 (E_RNA)
where:
Base-Base interactions energy: -290.203
where: short stacking energy: -190.054
Base-Backbone interact. energy: -0.366
local terms energy: -334.084328
where:
bonds (distance) C4'-P energy: -94.151
bonds (distance) P-C4' energy: -92.663
flat angles C4'-P-C4' energy: -77.925
flat angles P-C4'-P energy: -44.920
tors. eta vs tors. theta energy: -24.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 428
Temperature: 1.200000
Total energy: -448.410514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -448.410514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -448.410514 (E_RNA)
where:
Base-Base interactions energy: -160.943
where: short stacking energy: -129.399
Base-Backbone interact. energy: 1.293
local terms energy: -288.760012
where:
bonds (distance) C4'-P energy: -82.945
bonds (distance) P-C4' energy: -94.613
flat angles C4'-P-C4' energy: -74.147
flat angles P-C4'-P energy: -38.985
tors. eta vs tors. theta energy: 1.930
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 428
Temperature: 1.250000
Total energy: -410.792288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.792288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -410.792288 (E_RNA)
where:
Base-Base interactions energy: -135.100
where: short stacking energy: -129.028
Base-Backbone interact. energy: 2.126
local terms energy: -277.817881
where:
bonds (distance) C4'-P energy: -73.512
bonds (distance) P-C4' energy: -75.838
flat angles C4'-P-C4' energy: -69.936
flat angles P-C4'-P energy: -49.310
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: 9, replica: 10
=====================================
Write number: 428
Temperature: 1.300000
Total energy: -391.114283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.114283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -391.114283 (E_RNA)
where:
Base-Base interactions energy: -154.587
where: short stacking energy: -147.585
Base-Backbone interact. energy: -1.280
local terms energy: -235.247176
where:
bonds (distance) C4'-P energy: -74.496
bonds (distance) P-C4' energy: -75.502
flat angles C4'-P-C4' energy: -67.085
flat angles P-C4'-P energy: -19.363
tors. eta vs tors. theta energy: 1.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 428
Temperature: 1.350000
Total energy: -361.701308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.701308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.701308 (E_RNA)
where:
Base-Base interactions energy: -103.086
where: short stacking energy: -90.428
Base-Backbone interact. energy: 0.028
local terms energy: -258.643279
where:
bonds (distance) C4'-P energy: -77.058
bonds (distance) P-C4' energy: -78.753
flat angles C4'-P-C4' energy: -75.196
flat angles P-C4'-P energy: -41.493
tors. eta vs tors. theta energy: 13.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 429
Temperature: 0.900000
Total energy: -1312.996928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1312.996928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1312.996928 (E_RNA)
where:
Base-Base interactions energy: -806.849
where: short stacking energy: -460.849
Base-Backbone interact. energy: -2.241
local terms energy: -503.907072
where:
bonds (distance) C4'-P energy: -94.463
bonds (distance) P-C4' energy: -83.380
flat angles C4'-P-C4' energy: -104.128
flat angles P-C4'-P energy: -78.517
tors. eta vs tors. theta energy: -143.418
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: 4
=====================================
Write number: 429
Temperature: 0.950000
Total energy: -1073.589288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1073.589288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1073.589288 (E_RNA)
where:
Base-Base interactions energy: -608.817
where: short stacking energy: -366.448
Base-Backbone interact. energy: -0.391
local terms energy: -464.381257
where:
bonds (distance) C4'-P energy: -90.664
bonds (distance) P-C4' energy: -98.967
flat angles C4'-P-C4' energy: -98.100
flat angles P-C4'-P energy: -71.131
tors. eta vs tors. theta energy: -105.520
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 429
Temperature: 1.000000
Total energy: -893.565865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -893.565865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -893.565865 (E_RNA)
where:
Base-Base interactions energy: -485.022
where: short stacking energy: -314.650
Base-Backbone interact. energy: -1.573
local terms energy: -406.970698
where:
bonds (distance) C4'-P energy: -76.559
bonds (distance) P-C4' energy: -87.619
flat angles C4'-P-C4' energy: -91.530
flat angles P-C4'-P energy: -58.913
tors. eta vs tors. theta energy: -92.349
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 429
Temperature: 1.050000
Total energy: -727.006902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -727.006902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -727.006902 (E_RNA)
where:
Base-Base interactions energy: -359.803
where: short stacking energy: -238.278
Base-Backbone interact. energy: -0.723
local terms energy: -366.481377
where:
bonds (distance) C4'-P energy: -83.413
bonds (distance) P-C4' energy: -90.998
flat angles C4'-P-C4' energy: -92.021
flat angles P-C4'-P energy: -58.123
tors. eta vs tors. theta energy: -41.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 429
Temperature: 1.100000
Total energy: -642.915202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -642.915202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -642.915202 (E_RNA)
where:
Base-Base interactions energy: -304.701
where: short stacking energy: -200.132
Base-Backbone interact. energy: -2.110
local terms energy: -336.104265
where:
bonds (distance) C4'-P energy: -80.237
bonds (distance) P-C4' energy: -87.335
flat angles C4'-P-C4' energy: -85.863
flat angles P-C4'-P energy: -54.949
tors. eta vs tors. theta energy: -27.721
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: 5
=====================================
Write number: 429
Temperature: 1.150000
Total energy: -600.219684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -600.219684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -600.219684 (E_RNA)
where:
Base-Base interactions energy: -259.883
where: short stacking energy: -187.165
Base-Backbone interact. energy: 0.064
local terms energy: -340.400545
where:
bonds (distance) C4'-P energy: -91.907
bonds (distance) P-C4' energy: -85.282
flat angles C4'-P-C4' energy: -73.355
flat angles P-C4'-P energy: -58.256
tors. eta vs tors. theta energy: -31.600
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: 8
=====================================
Write number: 429
Temperature: 1.200000
Total energy: -444.545273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -444.545273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -444.545273 (E_RNA)
where:
Base-Base interactions energy: -178.702
where: short stacking energy: -152.541
Base-Backbone interact. energy: 1.761
local terms energy: -267.604309
where:
bonds (distance) C4'-P energy: -69.217
bonds (distance) P-C4' energy: -83.214
flat angles C4'-P-C4' energy: -79.993
flat angles P-C4'-P energy: -30.479
tors. eta vs tors. theta energy: -4.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 429
Temperature: 1.250000
Total energy: -406.104098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.104098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -406.104098 (E_RNA)
where:
Base-Base interactions energy: -140.541
where: short stacking energy: -133.204
Base-Backbone interact. energy: -0.814
local terms energy: -264.748752
where:
bonds (distance) C4'-P energy: -84.566
bonds (distance) P-C4' energy: -90.489
flat angles C4'-P-C4' energy: -49.484
flat angles P-C4'-P energy: -41.986
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: 9, replica: 10
=====================================
Write number: 429
Temperature: 1.300000
Total energy: -364.084284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.084284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.084284 (E_RNA)
where:
Base-Base interactions energy: -127.293
where: short stacking energy: -121.270
Base-Backbone interact. energy: 10.551
local terms energy: -247.342130
where:
bonds (distance) C4'-P energy: -76.731
bonds (distance) P-C4' energy: -74.074
flat angles C4'-P-C4' energy: -75.400
flat angles P-C4'-P energy: -37.185
tors. eta vs tors. theta energy: 16.047
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: 2
=====================================
Write number: 429
Temperature: 1.350000
Total energy: -338.444413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.444413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.444413 (E_RNA)
where:
Base-Base interactions energy: -96.268
where: short stacking energy: -88.692
Base-Backbone interact. energy: 0.576
local terms energy: -242.753150
where:
bonds (distance) C4'-P energy: -68.008
bonds (distance) P-C4' energy: -86.022
flat angles C4'-P-C4' energy: -66.688
flat angles P-C4'-P energy: -41.809
tors. eta vs tors. theta energy: 19.774
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 430
Temperature: 0.900000
Total energy: -1316.979846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1316.979846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1316.979846 (E_RNA)
where:
Base-Base interactions energy: -818.750
where: short stacking energy: -448.801
Base-Backbone interact. energy: -0.194
local terms energy: -498.036204
where:
bonds (distance) C4'-P energy: -106.519
bonds (distance) P-C4' energy: -100.301
flat angles C4'-P-C4' energy: -102.503
flat angles P-C4'-P energy: -50.354
tors. eta vs tors. theta energy: -138.360
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: 4
=====================================
Write number: 430
Temperature: 0.950000
Total energy: -1032.393325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1032.393325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1032.393325 (E_RNA)
where:
Base-Base interactions energy: -600.932
where: short stacking energy: -359.548
Base-Backbone interact. energy: -0.354
local terms energy: -431.106808
where:
bonds (distance) C4'-P energy: -79.411
bonds (distance) P-C4' energy: -92.602
flat angles C4'-P-C4' energy: -99.465
flat angles P-C4'-P energy: -69.194
tors. eta vs tors. theta energy: -90.434
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: 7
=====================================
Write number: 430
Temperature: 1.000000
Total energy: -901.527136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -901.527136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -901.527136 (E_RNA)
where:
Base-Base interactions energy: -503.632
where: short stacking energy: -318.866
Base-Backbone interact. energy: -0.983
local terms energy: -396.911914
where:
bonds (distance) C4'-P energy: -97.235
bonds (distance) P-C4' energy: -79.210
flat angles C4'-P-C4' energy: -83.998
flat angles P-C4'-P energy: -63.680
tors. eta vs tors. theta energy: -72.789
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: 6
=====================================
Write number: 430
Temperature: 1.050000
Total energy: -791.157890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -791.157890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -791.157890 (E_RNA)
where:
Base-Base interactions energy: -401.232
where: short stacking energy: -268.420
Base-Backbone interact. energy: -1.112
local terms energy: -388.813692
where:
bonds (distance) C4'-P energy: -70.746
bonds (distance) P-C4' energy: -92.009
flat angles C4'-P-C4' energy: -100.638
flat angles P-C4'-P energy: -60.065
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: 5, replica: 5
=====================================
Write number: 430
Temperature: 1.100000
Total energy: -668.681295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -668.681295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -668.681295 (E_RNA)
where:
Base-Base interactions energy: -319.213
where: short stacking energy: -227.375
Base-Backbone interact. energy: -2.108
local terms energy: -347.359652
where:
bonds (distance) C4'-P energy: -85.554
bonds (distance) P-C4' energy: -78.470
flat angles C4'-P-C4' energy: -83.795
flat angles P-C4'-P energy: -64.992
tors. eta vs tors. theta energy: -34.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 430
Temperature: 1.150000
Total energy: -624.963779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -624.963779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -624.963779 (E_RNA)
where:
Base-Base interactions energy: -293.394
where: short stacking energy: -204.231
Base-Backbone interact. energy: -1.747
local terms energy: -329.822998
where:
bonds (distance) C4'-P energy: -76.143
bonds (distance) P-C4' energy: -90.316
flat angles C4'-P-C4' energy: -79.667
flat angles P-C4'-P energy: -43.069
tors. eta vs tors. theta energy: -40.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 430
Temperature: 1.200000
Total energy: -449.428655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -449.428655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -449.428655 (E_RNA)
where:
Base-Base interactions energy: -174.452
where: short stacking energy: -141.341
Base-Backbone interact. energy: 1.630
local terms energy: -276.606738
where:
bonds (distance) C4'-P energy: -82.586
bonds (distance) P-C4' energy: -73.781
flat angles C4'-P-C4' energy: -67.430
flat angles P-C4'-P energy: -48.423
tors. eta vs tors. theta energy: -4.386
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 430
Temperature: 1.250000
Total energy: -427.953891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -427.953891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -427.953891 (E_RNA)
where:
Base-Base interactions energy: -168.187
where: short stacking energy: -135.673
Base-Backbone interact. energy: -0.360
local terms energy: -259.406043
where:
bonds (distance) C4'-P energy: -68.183
bonds (distance) P-C4' energy: -81.157
flat angles C4'-P-C4' energy: -68.711
flat angles P-C4'-P energy: -40.257
tors. eta vs tors. theta energy: -1.098
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 430
Temperature: 1.300000
Total energy: -361.362357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.362357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.362357 (E_RNA)
where:
Base-Base interactions energy: -113.275
where: short stacking energy: -103.199
Base-Backbone interact. energy: -1.191
local terms energy: -246.896394
where:
bonds (distance) C4'-P energy: -73.636
bonds (distance) P-C4' energy: -85.265
flat angles C4'-P-C4' energy: -66.396
flat angles P-C4'-P energy: -29.994
tors. eta vs tors. theta energy: 8.394
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 430
Temperature: 1.350000
Total energy: -347.872102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.872102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.872102 (E_RNA)
where:
Base-Base interactions energy: -104.523
where: short stacking energy: -91.330
Base-Backbone interact. energy: 5.342
local terms energy: -248.690892
where:
bonds (distance) C4'-P energy: -74.506
bonds (distance) P-C4' energy: -88.693
flat angles C4'-P-C4' energy: -68.209
flat angles P-C4'-P energy: -39.095
tors. eta vs tors. theta energy: 21.812
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: 431
Temperature: 0.900000
Total energy: -1293.007268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1293.007268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1293.007268 (E_RNA)
where:
Base-Base interactions energy: -795.028
where: short stacking energy: -456.329
Base-Backbone interact. energy: -2.995
local terms energy: -494.983913
where:
bonds (distance) C4'-P energy: -89.395
bonds (distance) P-C4' energy: -91.782
flat angles C4'-P-C4' energy: -110.756
flat angles P-C4'-P energy: -67.830
tors. eta vs tors. theta energy: -135.220
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: 431
Temperature: 0.950000
Total energy: -1034.360503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1034.360503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1034.360503 (E_RNA)
where:
Base-Base interactions energy: -589.527
where: short stacking energy: -362.350
Base-Backbone interact. energy: -3.367
local terms energy: -441.466456
where:
bonds (distance) C4'-P energy: -85.981
bonds (distance) P-C4' energy: -103.194
flat angles C4'-P-C4' energy: -90.073
flat angles P-C4'-P energy: -59.670
tors. eta vs tors. theta energy: -102.548
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: 7
=====================================
Write number: 431
Temperature: 1.000000
Total energy: -954.667828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -954.667828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -954.667828 (E_RNA)
where:
Base-Base interactions energy: -533.838
where: short stacking energy: -313.444
Base-Backbone interact. energy: 0.342
local terms energy: -421.171889
where:
bonds (distance) C4'-P energy: -91.906
bonds (distance) P-C4' energy: -92.139
flat angles C4'-P-C4' energy: -96.958
flat angles P-C4'-P energy: -62.886
tors. eta vs tors. theta energy: -77.282
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 431
Temperature: 1.050000
Total energy: -807.520020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -807.520020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -807.520020 (E_RNA)
where:
Base-Base interactions energy: -410.065
where: short stacking energy: -270.562
Base-Backbone interact. energy: -0.631
local terms energy: -396.823683
where:
bonds (distance) C4'-P energy: -81.651
bonds (distance) P-C4' energy: -89.210
flat angles C4'-P-C4' energy: -85.649
flat angles P-C4'-P energy: -73.819
tors. eta vs tors. theta energy: -66.494
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 431
Temperature: 1.100000
Total energy: -676.272113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -676.272113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -676.272113 (E_RNA)
where:
Base-Base interactions energy: -334.337
where: short stacking energy: -229.722
Base-Backbone interact. energy: 0.906
local terms energy: -342.840683
where:
bonds (distance) C4'-P energy: -81.031
bonds (distance) P-C4' energy: -79.868
flat angles C4'-P-C4' energy: -94.648
flat angles P-C4'-P energy: -48.997
tors. eta vs tors. theta energy: -38.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 431
Temperature: 1.150000
Total energy: -548.989396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.989396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.989396 (E_RNA)
where:
Base-Base interactions energy: -226.992
where: short stacking energy: -169.452
Base-Backbone interact. energy: 0.454
local terms energy: -322.451608
where:
bonds (distance) C4'-P energy: -88.296
bonds (distance) P-C4' energy: -89.649
flat angles C4'-P-C4' energy: -78.086
flat angles P-C4'-P energy: -57.806
tors. eta vs tors. theta energy: -8.615
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 431
Temperature: 1.200000
Total energy: -453.703673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -453.703673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -453.703673 (E_RNA)
where:
Base-Base interactions energy: -145.071
where: short stacking energy: -122.823
Base-Backbone interact. energy: 0.336
local terms energy: -308.969035
where:
bonds (distance) C4'-P energy: -91.173
bonds (distance) P-C4' energy: -89.827
flat angles C4'-P-C4' energy: -73.190
flat angles P-C4'-P energy: -49.222
tors. eta vs tors. theta energy: -5.557
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 431
Temperature: 1.250000
Total energy: -410.888416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.888416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -410.888416 (E_RNA)
where:
Base-Base interactions energy: -165.554
where: short stacking energy: -148.366
Base-Backbone interact. energy: -1.468
local terms energy: -243.866153
where:
bonds (distance) C4'-P energy: -72.430
bonds (distance) P-C4' energy: -73.792
flat angles C4'-P-C4' energy: -68.431
flat angles P-C4'-P energy: -26.497
tors. eta vs tors. theta energy: -2.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 431
Temperature: 1.300000
Total energy: -360.486826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.486826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.486826 (E_RNA)
where:
Base-Base interactions energy: -130.796
where: short stacking energy: -111.481
Base-Backbone interact. energy: -2.549
local terms energy: -227.142197
where:
bonds (distance) C4'-P energy: -56.025
bonds (distance) P-C4' energy: -79.184
flat angles C4'-P-C4' energy: -73.402
flat angles P-C4'-P energy: -34.381
tors. eta vs tors. theta energy: 15.851
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 431
Temperature: 1.350000
Total energy: -338.097241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.097241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.097241 (E_RNA)
where:
Base-Base interactions energy: -92.750
where: short stacking energy: -64.882
Base-Backbone interact. energy: -1.539
local terms energy: -243.808039
where:
bonds (distance) C4'-P energy: -77.310
bonds (distance) P-C4' energy: -81.755
flat angles C4'-P-C4' energy: -62.349
flat angles P-C4'-P energy: -44.498
tors. eta vs tors. theta energy: 22.104
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 432
Temperature: 0.900000
Total energy: -1299.825652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1299.825652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1299.825652 (E_RNA)
where:
Base-Base interactions energy: -804.071
where: short stacking energy: -471.925
Base-Backbone interact. energy: -0.335
local terms energy: -495.419245
where:
bonds (distance) C4'-P energy: -81.677
bonds (distance) P-C4' energy: -90.110
flat angles C4'-P-C4' energy: -113.641
flat angles P-C4'-P energy: -67.799
tors. eta vs tors. theta energy: -142.193
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 432
Temperature: 0.950000
Total energy: -1091.670748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1091.670748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1091.670748 (E_RNA)
where:
Base-Base interactions energy: -625.533
where: short stacking energy: -394.032
Base-Backbone interact. energy: -0.621
local terms energy: -465.517079
where:
bonds (distance) C4'-P energy: -95.881
bonds (distance) P-C4' energy: -86.970
flat angles C4'-P-C4' energy: -89.280
flat angles P-C4'-P energy: -68.965
tors. eta vs tors. theta energy: -124.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 432
Temperature: 1.000000
Total energy: -941.780559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -941.780559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -941.780559 (E_RNA)
where:
Base-Base interactions energy: -517.899
where: short stacking energy: -321.871
Base-Backbone interact. energy: -1.299
local terms energy: -422.582629
where:
bonds (distance) C4'-P energy: -90.126
bonds (distance) P-C4' energy: -88.751
flat angles C4'-P-C4' energy: -96.299
flat angles P-C4'-P energy: -59.096
tors. eta vs tors. theta energy: -88.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 432
Temperature: 1.050000
Total energy: -753.628078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -753.628078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -753.628078 (E_RNA)
where:
Base-Base interactions energy: -383.402
where: short stacking energy: -274.143
Base-Backbone interact. energy: -0.745
local terms energy: -369.481439
where:
bonds (distance) C4'-P energy: -91.636
bonds (distance) P-C4' energy: -71.633
flat angles C4'-P-C4' energy: -97.294
flat angles P-C4'-P energy: -52.618
tors. eta vs tors. theta energy: -56.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 432
Temperature: 1.100000
Total energy: -741.183092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -741.183092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -741.183092 (E_RNA)
where:
Base-Base interactions energy: -377.643
where: short stacking energy: -231.608
Base-Backbone interact. energy: -0.957
local terms energy: -362.583767
where:
bonds (distance) C4'-P energy: -75.343
bonds (distance) P-C4' energy: -79.751
flat angles C4'-P-C4' energy: -94.225
flat angles P-C4'-P energy: -58.357
tors. eta vs tors. theta energy: -54.907
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: 3
=====================================
Write number: 432
Temperature: 1.150000
Total energy: -551.078716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.078716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.078716 (E_RNA)
where:
Base-Base interactions energy: -238.453
where: short stacking energy: -182.893
Base-Backbone interact. energy: 5.774
local terms energy: -318.400204
where:
bonds (distance) C4'-P energy: -85.263
bonds (distance) P-C4' energy: -84.415
flat angles C4'-P-C4' energy: -75.823
flat angles P-C4'-P energy: -47.743
tors. eta vs tors. theta energy: -25.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 432
Temperature: 1.200000
Total energy: -469.435299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -469.435299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -469.435299 (E_RNA)
where:
Base-Base interactions energy: -170.135
where: short stacking energy: -157.520
Base-Backbone interact. energy: -0.903
local terms energy: -298.397349
where:
bonds (distance) C4'-P energy: -77.372
bonds (distance) P-C4' energy: -82.835
flat angles C4'-P-C4' energy: -75.007
flat angles P-C4'-P energy: -46.720
tors. eta vs tors. theta energy: -16.463
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 432
Temperature: 1.250000
Total energy: -412.154184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.154184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.154184 (E_RNA)
where:
Base-Base interactions energy: -153.245
where: short stacking energy: -143.554
Base-Backbone interact. energy: 2.252
local terms energy: -261.161660
where:
bonds (distance) C4'-P energy: -79.768
bonds (distance) P-C4' energy: -76.293
flat angles C4'-P-C4' energy: -74.915
flat angles P-C4'-P energy: -28.641
tors. eta vs tors. theta energy: -1.544
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: 2
=====================================
Write number: 432
Temperature: 1.300000
Total energy: -381.364090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -381.364090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -381.364090 (E_RNA)
where:
Base-Base interactions energy: -143.631
where: short stacking energy: -115.672
Base-Backbone interact. energy: 1.535
local terms energy: -239.267474
where:
bonds (distance) C4'-P energy: -75.854
bonds (distance) P-C4' energy: -80.083
flat angles C4'-P-C4' energy: -60.238
flat angles P-C4'-P energy: -37.289
tors. eta vs tors. theta energy: 14.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 432
Temperature: 1.350000
Total energy: -364.958067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.958067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.958067 (E_RNA)
where:
Base-Base interactions energy: -115.448
where: short stacking energy: -105.282
Base-Backbone interact. energy: -0.955
local terms energy: -248.554484
where:
bonds (distance) C4'-P energy: -68.713
bonds (distance) P-C4' energy: -68.256
flat angles C4'-P-C4' energy: -77.133
flat angles P-C4'-P energy: -39.158
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: 1, replica: 1
=====================================
Write number: 433
Temperature: 0.900000
Total energy: -1292.360456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1292.360456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1292.360456 (E_RNA)
where:
Base-Base interactions energy: -785.616
where: short stacking energy: -428.776
Base-Backbone interact. energy: -3.775
local terms energy: -502.969246
where:
bonds (distance) C4'-P energy: -97.377
bonds (distance) P-C4' energy: -98.857
flat angles C4'-P-C4' energy: -101.297
flat angles P-C4'-P energy: -64.216
tors. eta vs tors. theta energy: -141.222
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 433
Temperature: 0.950000
Total energy: -1088.562655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1088.562655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1088.562655 (E_RNA)
where:
Base-Base interactions energy: -621.264
where: short stacking energy: -383.169
Base-Backbone interact. energy: -0.545
local terms energy: -466.753610
where:
bonds (distance) C4'-P energy: -84.098
bonds (distance) P-C4' energy: -91.189
flat angles C4'-P-C4' energy: -108.620
flat angles P-C4'-P energy: -59.120
tors. eta vs tors. theta energy: -123.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 433
Temperature: 1.000000
Total energy: -875.009201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -875.009201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -875.009201 (E_RNA)
where:
Base-Base interactions energy: -491.955
where: short stacking energy: -288.546
Base-Backbone interact. energy: -1.456
local terms energy: -381.598216
where:
bonds (distance) C4'-P energy: -82.128
bonds (distance) P-C4' energy: -89.059
flat angles C4'-P-C4' energy: -89.495
flat angles P-C4'-P energy: -55.177
tors. eta vs tors. theta energy: -65.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 433
Temperature: 1.050000
Total energy: -738.598855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -738.598855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -738.598855 (E_RNA)
where:
Base-Base interactions energy: -378.308
where: short stacking energy: -236.828
Base-Backbone interact. energy: -1.677
local terms energy: -358.613094
where:
bonds (distance) C4'-P energy: -79.221
bonds (distance) P-C4' energy: -95.670
flat angles C4'-P-C4' energy: -96.953
flat angles P-C4'-P energy: -45.273
tors. eta vs tors. theta energy: -41.496
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: 5
=====================================
Write number: 433
Temperature: 1.100000
Total energy: -706.442264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -706.442264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -706.442264 (E_RNA)
where:
Base-Base interactions energy: -341.858
where: short stacking energy: -231.004
Base-Backbone interact. energy: 1.978
local terms energy: -366.562192
where:
bonds (distance) C4'-P energy: -89.567
bonds (distance) P-C4' energy: -86.121
flat angles C4'-P-C4' energy: -99.316
flat angles P-C4'-P energy: -49.851
tors. eta vs tors. theta energy: -41.707
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 433
Temperature: 1.150000
Total energy: -517.814644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.814644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.814644 (E_RNA)
where:
Base-Base interactions energy: -218.509
where: short stacking energy: -185.157
Base-Backbone interact. energy: -1.123
local terms energy: -298.182217
where:
bonds (distance) C4'-P energy: -72.842
bonds (distance) P-C4' energy: -80.264
flat angles C4'-P-C4' energy: -82.579
flat angles P-C4'-P energy: -39.379
tors. eta vs tors. theta energy: -23.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 433
Temperature: 1.200000
Total energy: -524.371784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.371784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.371784 (E_RNA)
where:
Base-Base interactions energy: -234.702
where: short stacking energy: -174.029
Base-Backbone interact. energy: -2.060
local terms energy: -287.609890
where:
bonds (distance) C4'-P energy: -81.921
bonds (distance) P-C4' energy: -64.428
flat angles C4'-P-C4' energy: -65.699
flat angles P-C4'-P energy: -54.113
tors. eta vs tors. theta energy: -21.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 433
Temperature: 1.250000
Total energy: -412.273534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.273534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.273534 (E_RNA)
where:
Base-Base interactions energy: -143.457
where: short stacking energy: -127.957
Base-Backbone interact. energy: 1.801
local terms energy: -270.617913
where:
bonds (distance) C4'-P energy: -81.291
bonds (distance) P-C4' energy: -87.049
flat angles C4'-P-C4' energy: -57.942
flat angles P-C4'-P energy: -40.324
tors. eta vs tors. theta energy: -4.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 433
Temperature: 1.300000
Total energy: -391.672200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.672200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -391.672200 (E_RNA)
where:
Base-Base interactions energy: -133.929
where: short stacking energy: -106.581
Base-Backbone interact. energy: -1.099
local terms energy: -256.644282
where:
bonds (distance) C4'-P energy: -64.138
bonds (distance) P-C4' energy: -96.723
flat angles C4'-P-C4' energy: -52.855
flat angles P-C4'-P energy: -42.118
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: 10, replica: 10
=====================================
Write number: 433
Temperature: 1.350000
Total energy: -354.522912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.522912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.522912 (E_RNA)
where:
Base-Base interactions energy: -120.612
where: short stacking energy: -98.016
Base-Backbone interact. energy: -1.462
local terms energy: -232.448962
where:
bonds (distance) C4'-P energy: -71.908
bonds (distance) P-C4' energy: -74.977
flat angles C4'-P-C4' energy: -65.929
flat angles P-C4'-P energy: -21.336
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: 1
=====================================
Write number: 434
Temperature: 0.900000
Total energy: -1288.440384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1288.440384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1288.440384 (E_RNA)
where:
Base-Base interactions energy: -790.780
where: short stacking energy: -433.701
Base-Backbone interact. energy: -4.498
local terms energy: -493.161829
where:
bonds (distance) C4'-P energy: -87.170
bonds (distance) P-C4' energy: -101.084
flat angles C4'-P-C4' energy: -98.076
flat angles P-C4'-P energy: -73.406
tors. eta vs tors. theta energy: -133.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 434
Temperature: 0.950000
Total energy: -1092.864910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1092.864910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1092.864910 (E_RNA)
where:
Base-Base interactions energy: -639.099
where: short stacking energy: -391.187
Base-Backbone interact. energy: -1.174
local terms energy: -452.591226
where:
bonds (distance) C4'-P energy: -90.346
bonds (distance) P-C4' energy: -95.701
flat angles C4'-P-C4' energy: -98.589
flat angles P-C4'-P energy: -64.845
tors. eta vs tors. theta energy: -103.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 434
Temperature: 1.000000
Total energy: -931.692781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -931.692781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -931.692781 (E_RNA)
where:
Base-Base interactions energy: -503.012
where: short stacking energy: -290.349
Base-Backbone interact. energy: 1.059
local terms energy: -429.739645
where:
bonds (distance) C4'-P energy: -97.089
bonds (distance) P-C4' energy: -93.607
flat angles C4'-P-C4' energy: -94.186
flat angles P-C4'-P energy: -68.427
tors. eta vs tors. theta energy: -76.431
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 434
Temperature: 1.050000
Total energy: -709.439762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -709.439762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -709.439762 (E_RNA)
where:
Base-Base interactions energy: -347.459
where: short stacking energy: -236.905
Base-Backbone interact. energy: -0.569
local terms energy: -361.411890
where:
bonds (distance) C4'-P energy: -92.049
bonds (distance) P-C4' energy: -80.276
flat angles C4'-P-C4' energy: -83.362
flat angles P-C4'-P energy: -49.343
tors. eta vs tors. theta energy: -56.382
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 434
Temperature: 1.100000
Total energy: -703.571785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -703.571785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -703.571785 (E_RNA)
where:
Base-Base interactions energy: -346.353
where: short stacking energy: -248.980
Base-Backbone interact. energy: -1.878
local terms energy: -355.340510
where:
bonds (distance) C4'-P energy: -87.946
bonds (distance) P-C4' energy: -81.375
flat angles C4'-P-C4' energy: -84.036
flat angles P-C4'-P energy: -41.650
tors. eta vs tors. theta energy: -60.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 434
Temperature: 1.150000
Total energy: -579.185000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -579.185000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -579.185000 (E_RNA)
where:
Base-Base interactions energy: -244.914
where: short stacking energy: -194.860
Base-Backbone interact. energy: -1.299
local terms energy: -332.971309
where:
bonds (distance) C4'-P energy: -87.456
bonds (distance) P-C4' energy: -85.009
flat angles C4'-P-C4' energy: -77.517
flat angles P-C4'-P energy: -55.892
tors. eta vs tors. theta energy: -27.097
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 434
Temperature: 1.200000
Total energy: -548.545804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.545804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.545804 (E_RNA)
where:
Base-Base interactions energy: -243.812
where: short stacking energy: -181.148
Base-Backbone interact. energy: -2.887
local terms energy: -301.846807
where:
bonds (distance) C4'-P energy: -81.336
bonds (distance) P-C4' energy: -82.812
flat angles C4'-P-C4' energy: -81.206
flat angles P-C4'-P energy: -37.310
tors. eta vs tors. theta energy: -19.183
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 434
Temperature: 1.250000
Total energy: -432.858600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -432.858600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -432.858600 (E_RNA)
where:
Base-Base interactions energy: -148.188
where: short stacking energy: -138.717
Base-Backbone interact. energy: 0.506
local terms energy: -285.176615
where:
bonds (distance) C4'-P energy: -90.892
bonds (distance) P-C4' energy: -88.618
flat angles C4'-P-C4' energy: -61.883
flat angles P-C4'-P energy: -45.536
tors. eta vs tors. theta energy: 1.752
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: 2
=====================================
Write number: 434
Temperature: 1.300000
Total energy: -419.200696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.200696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.200696 (E_RNA)
where:
Base-Base interactions energy: -147.071
where: short stacking energy: -128.579
Base-Backbone interact. energy: -0.002
local terms energy: -272.127454
where:
bonds (distance) C4'-P energy: -86.595
bonds (distance) P-C4' energy: -86.781
flat angles C4'-P-C4' energy: -66.070
flat angles P-C4'-P energy: -35.732
tors. eta vs tors. theta energy: 3.051
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: 10, replica: 10
=====================================
Write number: 434
Temperature: 1.350000
Total energy: -348.200515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.200515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.200515 (E_RNA)
where:
Base-Base interactions energy: -115.605
where: short stacking energy: -107.911
Base-Backbone interact. energy: 4.743
local terms energy: -237.338763
where:
bonds (distance) C4'-P energy: -73.228
bonds (distance) P-C4' energy: -88.152
flat angles C4'-P-C4' energy: -69.454
flat angles P-C4'-P energy: -39.002
tors. eta vs tors. theta energy: 32.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 435
Temperature: 0.900000
Total energy: -1272.961441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1272.961441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1272.961441 (E_RNA)
where:
Base-Base interactions energy: -785.439
where: short stacking energy: -449.222
Base-Backbone interact. energy: -0.448
local terms energy: -487.074711
where:
bonds (distance) C4'-P energy: -88.856
bonds (distance) P-C4' energy: -82.082
flat angles C4'-P-C4' energy: -111.186
flat angles P-C4'-P energy: -70.186
tors. eta vs tors. theta energy: -134.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 435
Temperature: 0.950000
Total energy: -1069.153558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1069.153558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1069.153558 (E_RNA)
where:
Base-Base interactions energy: -617.218
where: short stacking energy: -364.866
Base-Backbone interact. energy: -0.818
local terms energy: -451.117502
where:
bonds (distance) C4'-P energy: -95.618
bonds (distance) P-C4' energy: -90.525
flat angles C4'-P-C4' energy: -102.084
flat angles P-C4'-P energy: -58.786
tors. eta vs tors. theta energy: -104.104
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 435
Temperature: 1.000000
Total energy: -937.953158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -937.953158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -937.953158 (E_RNA)
where:
Base-Base interactions energy: -522.623
where: short stacking energy: -330.538
Base-Backbone interact. energy: 3.455
local terms energy: -418.784425
where:
bonds (distance) C4'-P energy: -83.878
bonds (distance) P-C4' energy: -96.144
flat angles C4'-P-C4' energy: -96.525
flat angles P-C4'-P energy: -62.747
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: 5
=====================================
Write number: 435
Temperature: 1.050000
Total energy: -734.253737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -734.253737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -734.253737 (E_RNA)
where:
Base-Base interactions energy: -363.429
where: short stacking energy: -239.481
Base-Backbone interact. energy: -1.085
local terms energy: -369.739558
where:
bonds (distance) C4'-P energy: -88.856
bonds (distance) P-C4' energy: -85.373
flat angles C4'-P-C4' energy: -81.755
flat angles P-C4'-P energy: -62.520
tors. eta vs tors. theta energy: -51.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 435
Temperature: 1.100000
Total energy: -665.833443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -665.833443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -665.833443 (E_RNA)
where:
Base-Base interactions energy: -312.754
where: short stacking energy: -224.646
Base-Backbone interact. energy: -2.655
local terms energy: -350.424540
where:
bonds (distance) C4'-P energy: -92.499
bonds (distance) P-C4' energy: -83.600
flat angles C4'-P-C4' energy: -76.820
flat angles P-C4'-P energy: -51.904
tors. eta vs tors. theta energy: -45.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 435
Temperature: 1.150000
Total energy: -568.159857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -568.159857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -568.159857 (E_RNA)
where:
Base-Base interactions energy: -237.806
where: short stacking energy: -178.070
Base-Backbone interact. energy: 1.508
local terms energy: -331.861649
where:
bonds (distance) C4'-P energy: -85.884
bonds (distance) P-C4' energy: -91.234
flat angles C4'-P-C4' energy: -78.560
flat angles P-C4'-P energy: -50.248
tors. eta vs tors. theta energy: -25.936
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: 8
=====================================
Write number: 435
Temperature: 1.200000
Total energy: -477.157797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -477.157797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -477.157797 (E_RNA)
where:
Base-Base interactions energy: -180.158
where: short stacking energy: -144.688
Base-Backbone interact. energy: -2.286
local terms energy: -294.714281
where:
bonds (distance) C4'-P energy: -76.552
bonds (distance) P-C4' energy: -84.351
flat angles C4'-P-C4' energy: -69.584
flat angles P-C4'-P energy: -48.810
tors. eta vs tors. theta energy: -15.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 435
Temperature: 1.250000
Total energy: -411.507191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.507191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.507191 (E_RNA)
where:
Base-Base interactions energy: -131.581
where: short stacking energy: -124.548
Base-Backbone interact. energy: -0.660
local terms energy: -279.265683
where:
bonds (distance) C4'-P energy: -89.720
bonds (distance) P-C4' energy: -71.431
flat angles C4'-P-C4' energy: -69.980
flat angles P-C4'-P energy: -45.597
tors. eta vs tors. theta energy: -2.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 435
Temperature: 1.300000
Total energy: -367.795526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.795526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.795526 (E_RNA)
where:
Base-Base interactions energy: -141.402
where: short stacking energy: -108.965
Base-Backbone interact. energy: 1.010
local terms energy: -227.402982
where:
bonds (distance) C4'-P energy: -72.432
bonds (distance) P-C4' energy: -75.160
flat angles C4'-P-C4' energy: -62.402
flat angles P-C4'-P energy: -31.671
tors. eta vs tors. theta energy: 14.262
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: 10
=====================================
Write number: 435
Temperature: 1.350000
Total energy: -349.033998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.033998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.033998 (E_RNA)
where:
Base-Base interactions energy: -120.266
where: short stacking energy: -111.715
Base-Backbone interact. energy: -0.255
local terms energy: -228.513595
where:
bonds (distance) C4'-P energy: -69.869
bonds (distance) P-C4' energy: -76.047
flat angles C4'-P-C4' energy: -57.329
flat angles P-C4'-P energy: -38.451
tors. eta vs tors. theta energy: 13.182
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: 1
=====================================
Write number: 436
Temperature: 0.900000
Total energy: -1308.715290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1308.715290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1308.715290 (E_RNA)
where:
Base-Base interactions energy: -795.599
where: short stacking energy: -437.330
Base-Backbone interact. energy: -0.140
local terms energy: -512.976588
where:
bonds (distance) C4'-P energy: -99.581
bonds (distance) P-C4' energy: -98.470
flat angles C4'-P-C4' energy: -100.149
flat angles P-C4'-P energy: -79.859
tors. eta vs tors. theta energy: -134.917
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 436
Temperature: 0.950000
Total energy: -1076.246831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1076.246831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1076.246831 (E_RNA)
where:
Base-Base interactions energy: -625.106
where: short stacking energy: -373.201
Base-Backbone interact. energy: -2.017
local terms energy: -449.124346
where:
bonds (distance) C4'-P energy: -75.952
bonds (distance) P-C4' energy: -96.717
flat angles C4'-P-C4' energy: -95.659
flat angles P-C4'-P energy: -73.179
tors. eta vs tors. theta energy: -107.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 436
Temperature: 1.000000
Total energy: -880.225392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -880.225392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -880.225392 (E_RNA)
where:
Base-Base interactions energy: -484.298
where: short stacking energy: -307.343
Base-Backbone interact. energy: 0.976
local terms energy: -396.903557
where:
bonds (distance) C4'-P energy: -75.977
bonds (distance) P-C4' energy: -85.610
flat angles C4'-P-C4' energy: -92.474
flat angles P-C4'-P energy: -60.555
tors. eta vs tors. theta energy: -82.287
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: 4, replica: 5
=====================================
Write number: 436
Temperature: 1.050000
Total energy: -755.282464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -755.282464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -755.282464 (E_RNA)
where:
Base-Base interactions energy: -403.585
where: short stacking energy: -258.918
Base-Backbone interact. energy: -0.151
local terms energy: -351.546236
where:
bonds (distance) C4'-P energy: -75.672
bonds (distance) P-C4' energy: -77.455
flat angles C4'-P-C4' energy: -83.383
flat angles P-C4'-P energy: -58.425
tors. eta vs tors. theta energy: -56.612
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: 5, replica: 6
=====================================
Write number: 436
Temperature: 1.100000
Total energy: -646.250807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -646.250807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -646.250807 (E_RNA)
where:
Base-Base interactions energy: -326.306
where: short stacking energy: -229.243
Base-Backbone interact. energy: -0.090
local terms energy: -319.855287
where:
bonds (distance) C4'-P energy: -74.319
bonds (distance) P-C4' energy: -75.831
flat angles C4'-P-C4' energy: -76.272
flat angles P-C4'-P energy: -58.352
tors. eta vs tors. theta energy: -35.081
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: 3
=====================================
Write number: 436
Temperature: 1.150000
Total energy: -529.534206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.534206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.534206 (E_RNA)
where:
Base-Base interactions energy: -201.554
where: short stacking energy: -157.273
Base-Backbone interact. energy: -0.645
local terms energy: -327.335193
where:
bonds (distance) C4'-P energy: -88.361
bonds (distance) P-C4' energy: -95.208
flat angles C4'-P-C4' energy: -87.589
flat angles P-C4'-P energy: -39.681
tors. eta vs tors. theta energy: -16.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 436
Temperature: 1.200000
Total energy: -491.426986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.426986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.426986 (E_RNA)
where:
Base-Base interactions energy: -203.893
where: short stacking energy: -151.961
Base-Backbone interact. energy: -1.283
local terms energy: -286.251501
where:
bonds (distance) C4'-P energy: -65.829
bonds (distance) P-C4' energy: -79.396
flat angles C4'-P-C4' energy: -74.478
flat angles P-C4'-P energy: -52.106
tors. eta vs tors. theta energy: -14.442
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 436
Temperature: 1.250000
Total energy: -426.637806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -426.637806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -426.637806 (E_RNA)
where:
Base-Base interactions energy: -153.075
where: short stacking energy: -141.655
Base-Backbone interact. energy: 5.984
local terms energy: -279.547406
where:
bonds (distance) C4'-P energy: -81.988
bonds (distance) P-C4' energy: -85.268
flat angles C4'-P-C4' energy: -65.306
flat angles P-C4'-P energy: -42.916
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: 9, replica: 10
=====================================
Write number: 436
Temperature: 1.300000
Total energy: -373.837305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.837305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.837305 (E_RNA)
where:
Base-Base interactions energy: -113.005
where: short stacking energy: -105.991
Base-Backbone interact. energy: -0.749
local terms energy: -260.083642
where:
bonds (distance) C4'-P energy: -77.220
bonds (distance) P-C4' energy: -89.481
flat angles C4'-P-C4' energy: -66.704
flat angles P-C4'-P energy: -40.888
tors. eta vs tors. theta energy: 14.210
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 436
Temperature: 1.350000
Total energy: -350.198502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.198502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.198502 (E_RNA)
where:
Base-Base interactions energy: -99.207
where: short stacking energy: -86.232
Base-Backbone interact. energy: 1.159
local terms energy: -252.150429
where:
bonds (distance) C4'-P energy: -88.646
bonds (distance) P-C4' energy: -78.358
flat angles C4'-P-C4' energy: -71.623
flat angles P-C4'-P energy: -35.634
tors. eta vs tors. theta energy: 22.111
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 437
Temperature: 0.900000
Total energy: -1282.392282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1282.392282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1282.392282 (E_RNA)
where:
Base-Base interactions energy: -796.797
where: short stacking energy: -435.276
Base-Backbone interact. energy: 1.070
local terms energy: -486.665836
where:
bonds (distance) C4'-P energy: -87.697
bonds (distance) P-C4' energy: -98.156
flat angles C4'-P-C4' energy: -103.001
flat angles P-C4'-P energy: -71.400
tors. eta vs tors. theta energy: -126.411
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 437
Temperature: 0.950000
Total energy: -1041.896554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1041.896554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1041.896554 (E_RNA)
where:
Base-Base interactions energy: -588.633
where: short stacking energy: -369.904
Base-Backbone interact. energy: 0.583
local terms energy: -453.846699
where:
bonds (distance) C4'-P energy: -97.841
bonds (distance) P-C4' energy: -95.465
flat angles C4'-P-C4' energy: -92.781
flat angles P-C4'-P energy: -66.759
tors. eta vs tors. theta energy: -101.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 437
Temperature: 1.000000
Total energy: -881.854370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -881.854370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -881.854370 (E_RNA)
where:
Base-Base interactions energy: -495.343
where: short stacking energy: -284.845
Base-Backbone interact. energy: -1.796
local terms energy: -384.715565
where:
bonds (distance) C4'-P energy: -84.221
bonds (distance) P-C4' energy: -86.086
flat angles C4'-P-C4' energy: -92.160
flat angles P-C4'-P energy: -55.675
tors. eta vs tors. theta energy: -66.573
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 437
Temperature: 1.050000
Total energy: -690.002007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -690.002007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -690.002007 (E_RNA)
where:
Base-Base interactions energy: -336.373
where: short stacking energy: -240.902
Base-Backbone interact. energy: 3.318
local terms energy: -356.947032
where:
bonds (distance) C4'-P energy: -78.484
bonds (distance) P-C4' energy: -89.210
flat angles C4'-P-C4' energy: -84.535
flat angles P-C4'-P energy: -46.312
tors. eta vs tors. theta energy: -58.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 437
Temperature: 1.100000
Total energy: -718.780143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -718.780143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -718.780143 (E_RNA)
where:
Base-Base interactions energy: -342.618
where: short stacking energy: -212.396
Base-Backbone interact. energy: 0.784
local terms energy: -376.945829
where:
bonds (distance) C4'-P energy: -78.613
bonds (distance) P-C4' energy: -99.363
flat angles C4'-P-C4' energy: -100.953
flat angles P-C4'-P energy: -51.653
tors. eta vs tors. theta energy: -46.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 437
Temperature: 1.150000
Total energy: -564.773659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -564.773659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -564.773659 (E_RNA)
where:
Base-Base interactions energy: -249.396
where: short stacking energy: -190.990
Base-Backbone interact. energy: -0.919
local terms energy: -314.458664
where:
bonds (distance) C4'-P energy: -78.789
bonds (distance) P-C4' energy: -75.999
flat angles C4'-P-C4' energy: -86.780
flat angles P-C4'-P energy: -42.544
tors. eta vs tors. theta energy: -30.347
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 437
Temperature: 1.200000
Total energy: -443.249180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -443.249180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -443.249180 (E_RNA)
where:
Base-Base interactions energy: -168.171
where: short stacking energy: -120.834
Base-Backbone interact. energy: -0.993
local terms energy: -274.085301
where:
bonds (distance) C4'-P energy: -79.135
bonds (distance) P-C4' energy: -82.275
flat angles C4'-P-C4' energy: -61.031
flat angles P-C4'-P energy: -52.983
tors. eta vs tors. theta energy: 1.339
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 437
Temperature: 1.250000
Total energy: -399.336747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -399.336747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -399.336747 (E_RNA)
where:
Base-Base interactions energy: -135.187
where: short stacking energy: -113.077
Base-Backbone interact. energy: 1.386
local terms energy: -265.535474
where:
bonds (distance) C4'-P energy: -84.978
bonds (distance) P-C4' energy: -78.060
flat angles C4'-P-C4' energy: -68.813
flat angles P-C4'-P energy: -43.012
tors. eta vs tors. theta energy: 9.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 437
Temperature: 1.300000
Total energy: -399.811787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -399.811787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -399.811787 (E_RNA)
where:
Base-Base interactions energy: -132.554
where: short stacking energy: -118.250
Base-Backbone interact. energy: 4.301
local terms energy: -271.559211
where:
bonds (distance) C4'-P energy: -80.740
bonds (distance) P-C4' energy: -92.308
flat angles C4'-P-C4' energy: -60.393
flat angles P-C4'-P energy: -39.247
tors. eta vs tors. theta energy: 1.129
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: 9
=====================================
Write number: 437
Temperature: 1.350000
Total energy: -364.025649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.025649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.025649 (E_RNA)
where:
Base-Base interactions energy: -115.001
where: short stacking energy: -96.666
Base-Backbone interact. energy: 2.389
local terms energy: -251.413524
where:
bonds (distance) C4'-P energy: -72.426
bonds (distance) P-C4' energy: -87.178
flat angles C4'-P-C4' energy: -62.331
flat angles P-C4'-P energy: -41.722
tors. eta vs tors. theta energy: 12.243
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 438
Temperature: 0.900000
Total energy: -1294.831030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1294.831030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1294.831030 (E_RNA)
where:
Base-Base interactions energy: -790.044
where: short stacking energy: -449.073
Base-Backbone interact. energy: -3.342
local terms energy: -501.445392
where:
bonds (distance) C4'-P energy: -86.088
bonds (distance) P-C4' energy: -98.169
flat angles C4'-P-C4' energy: -110.113
flat angles P-C4'-P energy: -78.460
tors. eta vs tors. theta energy: -128.616
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: 438
Temperature: 0.950000
Total energy: -1064.783968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1064.783968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1064.783968 (E_RNA)
where:
Base-Base interactions energy: -597.930
where: short stacking energy: -361.184
Base-Backbone interact. energy: -0.541
local terms energy: -466.312938
where:
bonds (distance) C4'-P energy: -91.157
bonds (distance) P-C4' energy: -100.381
flat angles C4'-P-C4' energy: -95.836
flat angles P-C4'-P energy: -72.603
tors. eta vs tors. theta energy: -106.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 438
Temperature: 1.000000
Total energy: -943.263984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -943.263984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -943.263984 (E_RNA)
where:
Base-Base interactions energy: -515.009
where: short stacking energy: -339.148
Base-Backbone interact. energy: 0.353
local terms energy: -428.607832
where:
bonds (distance) C4'-P energy: -87.583
bonds (distance) P-C4' energy: -91.046
flat angles C4'-P-C4' energy: -84.923
flat angles P-C4'-P energy: -71.744
tors. eta vs tors. theta energy: -93.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 438
Temperature: 1.050000
Total energy: -683.841244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -683.841244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -683.841244 (E_RNA)
where:
Base-Base interactions energy: -315.686
where: short stacking energy: -232.512
Base-Backbone interact. energy: 0.459
local terms energy: -368.614408
where:
bonds (distance) C4'-P energy: -71.371
bonds (distance) P-C4' energy: -88.953
flat angles C4'-P-C4' energy: -86.632
flat angles P-C4'-P energy: -59.973
tors. eta vs tors. theta energy: -61.684
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 438
Temperature: 1.100000
Total energy: -692.814452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -692.814452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -692.814452 (E_RNA)
where:
Base-Base interactions energy: -336.151
where: short stacking energy: -222.982
Base-Backbone interact. energy: 0.763
local terms energy: -357.426714
where:
bonds (distance) C4'-P energy: -82.684
bonds (distance) P-C4' energy: -97.585
flat angles C4'-P-C4' energy: -76.287
flat angles P-C4'-P energy: -55.403
tors. eta vs tors. theta energy: -45.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 438
Temperature: 1.150000
Total energy: -546.467118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.467118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.467118 (E_RNA)
where:
Base-Base interactions energy: -231.857
where: short stacking energy: -185.449
Base-Backbone interact. energy: 2.269
local terms energy: -316.878365
where:
bonds (distance) C4'-P energy: -85.584
bonds (distance) P-C4' energy: -81.176
flat angles C4'-P-C4' energy: -89.192
flat angles P-C4'-P energy: -42.088
tors. eta vs tors. theta energy: -18.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 438
Temperature: 1.200000
Total energy: -451.528254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -451.528254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -451.528254 (E_RNA)
where:
Base-Base interactions energy: -210.781
where: short stacking energy: -151.614
Base-Backbone interact. energy: 0.326
local terms energy: -241.072787
where:
bonds (distance) C4'-P energy: -77.908
bonds (distance) P-C4' energy: -69.928
flat angles C4'-P-C4' energy: -58.025
flat angles P-C4'-P energy: -44.680
tors. eta vs tors. theta energy: 9.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 438
Temperature: 1.250000
Total energy: -399.732354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -399.732354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -399.732354 (E_RNA)
where:
Base-Base interactions energy: -139.649
where: short stacking energy: -132.752
Base-Backbone interact. energy: -0.473
local terms energy: -259.610236
where:
bonds (distance) C4'-P energy: -77.406
bonds (distance) P-C4' energy: -71.724
flat angles C4'-P-C4' energy: -73.515
flat angles P-C4'-P energy: -30.557
tors. eta vs tors. theta energy: -6.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 438
Temperature: 1.300000
Total energy: -390.608684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -390.608684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -390.608684 (E_RNA)
where:
Base-Base interactions energy: -132.768
where: short stacking energy: -112.687
Base-Backbone interact. energy: -0.572
local terms energy: -257.268994
where:
bonds (distance) C4'-P energy: -81.638
bonds (distance) P-C4' energy: -77.364
flat angles C4'-P-C4' energy: -70.721
flat angles P-C4'-P energy: -31.700
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: 10, replica: 2
=====================================
Write number: 438
Temperature: 1.350000
Total energy: -339.228251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.228251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.228251 (E_RNA)
where:
Base-Base interactions energy: -99.923
where: short stacking energy: -80.067
Base-Backbone interact. energy: 1.065
local terms energy: -240.370525
where:
bonds (distance) C4'-P energy: -67.809
bonds (distance) P-C4' energy: -81.413
flat angles C4'-P-C4' energy: -65.663
flat angles P-C4'-P energy: -42.409
tors. eta vs tors. theta energy: 16.923
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: 1
=====================================
Write number: 439
Temperature: 0.900000
Total energy: -1332.110940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1332.110940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1332.110940 (E_RNA)
where:
Base-Base interactions energy: -812.360
where: short stacking energy: -456.641
Base-Backbone interact. energy: -3.317
local terms energy: -516.433688
where:
bonds (distance) C4'-P energy: -96.633
bonds (distance) P-C4' energy: -102.747
flat angles C4'-P-C4' energy: -108.408
flat angles P-C4'-P energy: -64.827
tors. eta vs tors. theta energy: -143.819
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: 2, replica: 7
=====================================
Write number: 439
Temperature: 0.950000
Total energy: -956.732978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -956.732978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -956.732978 (E_RNA)
where:
Base-Base interactions energy: -516.135
where: short stacking energy: -334.869
Base-Backbone interact. energy: -1.009
local terms energy: -439.589072
where:
bonds (distance) C4'-P energy: -91.518
bonds (distance) P-C4' energy: -83.726
flat angles C4'-P-C4' energy: -107.587
flat angles P-C4'-P energy: -63.547
tors. eta vs tors. theta energy: -93.211
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 439
Temperature: 1.000000
Total energy: -1017.282059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1017.282059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1017.282059 (E_RNA)
where:
Base-Base interactions energy: -572.268
where: short stacking energy: -352.514
Base-Backbone interact. energy: -1.041
local terms energy: -443.973217
where:
bonds (distance) C4'-P energy: -85.102
bonds (distance) P-C4' energy: -95.270
flat angles C4'-P-C4' energy: -92.903
flat angles P-C4'-P energy: -66.304
tors. eta vs tors. theta energy: -104.395
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 439
Temperature: 1.050000
Total energy: -736.022710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -736.022710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -736.022710 (E_RNA)
where:
Base-Base interactions energy: -391.348
where: short stacking energy: -259.069
Base-Backbone interact. energy: -0.704
local terms energy: -343.970037
where:
bonds (distance) C4'-P energy: -90.531
bonds (distance) P-C4' energy: -73.925
flat angles C4'-P-C4' energy: -76.986
flat angles P-C4'-P energy: -48.234
tors. eta vs tors. theta energy: -54.293
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 439
Temperature: 1.100000
Total energy: -632.973923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -632.973923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -632.973923 (E_RNA)
where:
Base-Base interactions energy: -289.862
where: short stacking energy: -197.626
Base-Backbone interact. energy: -0.649
local terms energy: -342.462998
where:
bonds (distance) C4'-P energy: -83.245
bonds (distance) P-C4' energy: -92.149
flat angles C4'-P-C4' energy: -81.603
flat angles P-C4'-P energy: -55.082
tors. eta vs tors. theta energy: -30.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 439
Temperature: 1.150000
Total energy: -538.996551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.996551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.996551 (E_RNA)
where:
Base-Base interactions energy: -235.042
where: short stacking energy: -185.436
Base-Backbone interact. energy: 0.325
local terms energy: -304.280167
where:
bonds (distance) C4'-P energy: -80.863
bonds (distance) P-C4' energy: -92.807
flat angles C4'-P-C4' energy: -68.238
flat angles P-C4'-P energy: -41.790
tors. eta vs tors. theta energy: -20.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 439
Temperature: 1.200000
Total energy: -494.049757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.049757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.049757 (E_RNA)
where:
Base-Base interactions energy: -201.576
where: short stacking energy: -153.827
Base-Backbone interact. energy: 1.295
local terms energy: -293.768897
where:
bonds (distance) C4'-P energy: -83.908
bonds (distance) P-C4' energy: -85.282
flat angles C4'-P-C4' energy: -70.776
flat angles P-C4'-P energy: -44.522
tors. eta vs tors. theta energy: -9.282
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 439
Temperature: 1.250000
Total energy: -429.939333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -429.939333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -429.939333 (E_RNA)
where:
Base-Base interactions energy: -143.430
where: short stacking energy: -137.628
Base-Backbone interact. energy: 0.082
local terms energy: -286.591743
where:
bonds (distance) C4'-P energy: -74.929
bonds (distance) P-C4' energy: -82.448
flat angles C4'-P-C4' energy: -69.924
flat angles P-C4'-P energy: -45.403
tors. eta vs tors. theta energy: -13.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 439
Temperature: 1.300000
Total energy: -388.813836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -388.813836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -388.813836 (E_RNA)
where:
Base-Base interactions energy: -139.307
where: short stacking energy: -127.750
Base-Backbone interact. energy: -2.528
local terms energy: -246.979013
where:
bonds (distance) C4'-P energy: -85.492
bonds (distance) P-C4' energy: -74.558
flat angles C4'-P-C4' energy: -70.852
flat angles P-C4'-P energy: -29.749
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: 10, replica: 2
=====================================
Write number: 439
Temperature: 1.350000
Total energy: -350.379478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.379478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.379478 (E_RNA)
where:
Base-Base interactions energy: -133.000
where: short stacking energy: -102.216
Base-Backbone interact. energy: 8.414
local terms energy: -225.794153
where:
bonds (distance) C4'-P energy: -71.282
bonds (distance) P-C4' energy: -80.423
flat angles C4'-P-C4' energy: -67.972
flat angles P-C4'-P energy: -25.392
tors. eta vs tors. theta energy: 19.275
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 440
Temperature: 0.900000
Total energy: -1294.247520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1294.247520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1294.247520 (E_RNA)
where:
Base-Base interactions energy: -790.497
where: short stacking energy: -441.959
Base-Backbone interact. energy: -0.896
local terms energy: -502.854106
where:
bonds (distance) C4'-P energy: -92.109
bonds (distance) P-C4' energy: -96.595
flat angles C4'-P-C4' energy: -110.944
flat angles P-C4'-P energy: -71.255
tors. eta vs tors. theta energy: -131.951
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 440
Temperature: 0.950000
Total energy: -927.558438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -927.558438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -927.558438 (E_RNA)
where:
Base-Base interactions energy: -514.471
where: short stacking energy: -326.007
Base-Backbone interact. energy: -0.012
local terms energy: -413.075442
where:
bonds (distance) C4'-P energy: -91.738
bonds (distance) P-C4' energy: -82.489
flat angles C4'-P-C4' energy: -94.866
flat angles P-C4'-P energy: -59.616
tors. eta vs tors. theta energy: -84.366
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: 4
=====================================
Write number: 440
Temperature: 1.000000
Total energy: -1004.291664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1004.291664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1004.291664 (E_RNA)
where:
Base-Base interactions energy: -555.844
where: short stacking energy: -323.690
Base-Backbone interact. energy: -0.075
local terms energy: -448.372588
where:
bonds (distance) C4'-P energy: -101.279
bonds (distance) P-C4' energy: -88.385
flat angles C4'-P-C4' energy: -103.321
flat angles P-C4'-P energy: -64.327
tors. eta vs tors. theta energy: -91.060
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: 4, replica: 5
=====================================
Write number: 440
Temperature: 1.050000
Total energy: -771.283801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -771.283801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -771.283801 (E_RNA)
where:
Base-Base interactions energy: -379.813
where: short stacking energy: -229.779
Base-Backbone interact. energy: -0.276
local terms energy: -391.195188
where:
bonds (distance) C4'-P energy: -91.877
bonds (distance) P-C4' energy: -92.407
flat angles C4'-P-C4' energy: -95.626
flat angles P-C4'-P energy: -51.195
tors. eta vs tors. theta energy: -60.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 440
Temperature: 1.100000
Total energy: -666.564403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -666.564403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -666.564403 (E_RNA)
where:
Base-Base interactions energy: -335.738
where: short stacking energy: -231.487
Base-Backbone interact. energy: 1.391
local terms energy: -332.217623
where:
bonds (distance) C4'-P energy: -74.386
bonds (distance) P-C4' energy: -87.699
flat angles C4'-P-C4' energy: -72.113
flat angles P-C4'-P energy: -47.289
tors. eta vs tors. theta energy: -50.730
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 440
Temperature: 1.150000
Total energy: -558.719282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -558.719282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -558.719282 (E_RNA)
where:
Base-Base interactions energy: -228.958
where: short stacking energy: -176.310
Base-Backbone interact. energy: 2.159
local terms energy: -331.920275
where:
bonds (distance) C4'-P energy: -90.814
bonds (distance) P-C4' energy: -83.747
flat angles C4'-P-C4' energy: -75.384
flat angles P-C4'-P energy: -52.304
tors. eta vs tors. theta energy: -29.672
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 440
Temperature: 1.200000
Total energy: -456.939916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -456.939916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -456.939916 (E_RNA)
where:
Base-Base interactions energy: -180.127
where: short stacking energy: -136.144
Base-Backbone interact. energy: 1.000
local terms energy: -277.812849
where:
bonds (distance) C4'-P energy: -79.431
bonds (distance) P-C4' energy: -76.043
flat angles C4'-P-C4' energy: -70.729
flat angles P-C4'-P energy: -41.197
tors. eta vs tors. theta energy: -10.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 440
Temperature: 1.250000
Total energy: -423.289594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -423.289594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -423.289594 (E_RNA)
where:
Base-Base interactions energy: -149.623
where: short stacking energy: -110.511
Base-Backbone interact. energy: -1.110
local terms energy: -272.556607
where:
bonds (distance) C4'-P energy: -78.591
bonds (distance) P-C4' energy: -99.362
flat angles C4'-P-C4' energy: -68.961
flat angles P-C4'-P energy: -33.356
tors. eta vs tors. theta energy: 7.713
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 440
Temperature: 1.300000
Total energy: -384.877756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -384.877756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -384.877756 (E_RNA)
where:
Base-Base interactions energy: -136.301
where: short stacking energy: -122.887
Base-Backbone interact. energy: 2.953
local terms energy: -251.529250
where:
bonds (distance) C4'-P energy: -75.525
bonds (distance) P-C4' energy: -81.935
flat angles C4'-P-C4' energy: -76.842
flat angles P-C4'-P energy: -26.984
tors. eta vs tors. theta energy: 9.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 440
Temperature: 1.350000
Total energy: -351.806751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.806751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.806751 (E_RNA)
where:
Base-Base interactions energy: -124.528
where: short stacking energy: -90.996
Base-Backbone interact. energy: 8.152
local terms energy: -235.430117
where:
bonds (distance) C4'-P energy: -72.843
bonds (distance) P-C4' energy: -83.299
flat angles C4'-P-C4' energy: -56.281
flat angles P-C4'-P energy: -43.695
tors. eta vs tors. theta energy: 20.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 441
Temperature: 0.900000
Total energy: -1284.557519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1284.557519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1284.557519 (E_RNA)
where:
Base-Base interactions energy: -786.490
where: short stacking energy: -429.816
Base-Backbone interact. energy: -0.348
local terms energy: -497.719416
where:
bonds (distance) C4'-P energy: -98.900
bonds (distance) P-C4' energy: -89.983
flat angles C4'-P-C4' energy: -102.338
flat angles P-C4'-P energy: -77.207
tors. eta vs tors. theta energy: -129.290
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: 4
=====================================
Write number: 441
Temperature: 0.950000
Total energy: -1034.407188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1034.407188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1034.407188 (E_RNA)
where:
Base-Base interactions energy: -588.325
where: short stacking energy: -328.074
Base-Backbone interact. energy: 0.402
local terms energy: -446.484958
where:
bonds (distance) C4'-P energy: -88.219
bonds (distance) P-C4' energy: -99.647
flat angles C4'-P-C4' energy: -104.226
flat angles P-C4'-P energy: -63.807
tors. eta vs tors. theta energy: -90.586
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 441
Temperature: 1.000000
Total energy: -912.429813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -912.429813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -912.429813 (E_RNA)
where:
Base-Base interactions energy: -498.573
where: short stacking energy: -300.615
Base-Backbone interact. energy: -0.154
local terms energy: -413.702576
where:
bonds (distance) C4'-P energy: -89.325
bonds (distance) P-C4' energy: -81.520
flat angles C4'-P-C4' energy: -93.982
flat angles P-C4'-P energy: -61.063
tors. eta vs tors. theta energy: -87.813
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: 441
Temperature: 1.050000
Total energy: -720.324582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -720.324582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -720.324582 (E_RNA)
where:
Base-Base interactions energy: -356.800
where: short stacking energy: -222.732
Base-Backbone interact. energy: -2.443
local terms energy: -361.081381
where:
bonds (distance) C4'-P energy: -92.343
bonds (distance) P-C4' energy: -97.485
flat angles C4'-P-C4' energy: -69.643
flat angles P-C4'-P energy: -49.023
tors. eta vs tors. theta energy: -52.588
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: 5, replica: 6
=====================================
Write number: 441
Temperature: 1.100000
Total energy: -636.300622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -636.300622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -636.300622 (E_RNA)
where:
Base-Base interactions energy: -319.460
where: short stacking energy: -215.987
Base-Backbone interact. energy: -0.366
local terms energy: -316.475231
where:
bonds (distance) C4'-P energy: -81.194
bonds (distance) P-C4' energy: -80.259
flat angles C4'-P-C4' energy: -76.427
flat angles P-C4'-P energy: -37.447
tors. eta vs tors. theta energy: -41.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 441
Temperature: 1.150000
Total energy: -573.544202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -573.544202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -573.544202 (E_RNA)
where:
Base-Base interactions energy: -266.049
where: short stacking energy: -184.628
Base-Backbone interact. energy: -1.069
local terms energy: -306.426825
where:
bonds (distance) C4'-P energy: -84.879
bonds (distance) P-C4' energy: -87.706
flat angles C4'-P-C4' energy: -75.746
flat angles P-C4'-P energy: -45.973
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: 7, replica: 10
=====================================
Write number: 441
Temperature: 1.200000
Total energy: -431.123291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -431.123291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -431.123291 (E_RNA)
where:
Base-Base interactions energy: -143.684
where: short stacking energy: -134.488
Base-Backbone interact. energy: 0.371
local terms energy: -287.809599
where:
bonds (distance) C4'-P energy: -84.178
bonds (distance) P-C4' energy: -85.455
flat angles C4'-P-C4' energy: -74.887
flat angles P-C4'-P energy: -47.744
tors. eta vs tors. theta energy: 4.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 441
Temperature: 1.250000
Total energy: -431.169739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -431.169739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -431.169739 (E_RNA)
where:
Base-Base interactions energy: -184.529
where: short stacking energy: -109.317
Base-Backbone interact. energy: -0.383
local terms energy: -246.257732
where:
bonds (distance) C4'-P energy: -68.828
bonds (distance) P-C4' energy: -77.770
flat angles C4'-P-C4' energy: -55.249
flat angles P-C4'-P energy: -47.569
tors. eta vs tors. theta energy: 3.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 441
Temperature: 1.300000
Total energy: -407.180052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.180052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -407.180052 (E_RNA)
where:
Base-Base interactions energy: -164.556
where: short stacking energy: -125.918
Base-Backbone interact. energy: -1.532
local terms energy: -241.092829
where:
bonds (distance) C4'-P energy: -63.832
bonds (distance) P-C4' energy: -63.138
flat angles C4'-P-C4' energy: -66.826
flat angles P-C4'-P energy: -44.378
tors. eta vs tors. theta energy: -2.920
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 441
Temperature: 1.350000
Total energy: -364.618270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.618270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.618270 (E_RNA)
where:
Base-Base interactions energy: -105.949
where: short stacking energy: -85.754
Base-Backbone interact. energy: 0.297
local terms energy: -258.965737
where:
bonds (distance) C4'-P energy: -79.825
bonds (distance) P-C4' energy: -87.275
flat angles C4'-P-C4' energy: -65.693
flat angles P-C4'-P energy: -45.493
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: 1, replica: 1
=====================================
Write number: 442
Temperature: 0.900000
Total energy: -1303.335837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1303.335837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1303.335837 (E_RNA)
where:
Base-Base interactions energy: -804.093
where: short stacking energy: -450.976
Base-Backbone interact. energy: -1.474
local terms energy: -497.769164
where:
bonds (distance) C4'-P energy: -92.702
bonds (distance) P-C4' energy: -98.028
flat angles C4'-P-C4' energy: -106.235
flat angles P-C4'-P energy: -59.827
tors. eta vs tors. theta energy: -140.978
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: 4
=====================================
Write number: 442
Temperature: 0.950000
Total energy: -1072.398038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1072.398038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1072.398038 (E_RNA)
where:
Base-Base interactions energy: -621.563
where: short stacking energy: -359.331
Base-Backbone interact. energy: 0.615
local terms energy: -451.449451
where:
bonds (distance) C4'-P energy: -94.696
bonds (distance) P-C4' energy: -78.885
flat angles C4'-P-C4' energy: -109.157
flat angles P-C4'-P energy: -61.964
tors. eta vs tors. theta energy: -106.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 442
Temperature: 1.000000
Total energy: -910.578186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -910.578186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -910.578186 (E_RNA)
where:
Base-Base interactions energy: -493.020
where: short stacking energy: -318.697
Base-Backbone interact. energy: -0.215
local terms energy: -417.343829
where:
bonds (distance) C4'-P energy: -80.731
bonds (distance) P-C4' energy: -99.212
flat angles C4'-P-C4' energy: -95.429
flat angles P-C4'-P energy: -53.257
tors. eta vs tors. theta energy: -88.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 442
Temperature: 1.050000
Total energy: -820.417911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -820.417911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -820.417911 (E_RNA)
where:
Base-Base interactions energy: -459.956
where: short stacking energy: -280.869
Base-Backbone interact. energy: -0.378
local terms energy: -360.083262
where:
bonds (distance) C4'-P energy: -75.460
bonds (distance) P-C4' energy: -88.283
flat angles C4'-P-C4' energy: -85.729
flat angles P-C4'-P energy: -53.611
tors. eta vs tors. theta energy: -57.001
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 442
Temperature: 1.100000
Total energy: -615.206934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -615.206934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -615.206934 (E_RNA)
where:
Base-Base interactions energy: -279.049
where: short stacking energy: -183.030
Base-Backbone interact. energy: -2.084
local terms energy: -334.073098
where:
bonds (distance) C4'-P energy: -90.653
bonds (distance) P-C4' energy: -84.256
flat angles C4'-P-C4' energy: -87.587
flat angles P-C4'-P energy: -45.519
tors. eta vs tors. theta energy: -26.059
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 442
Temperature: 1.150000
Total energy: -608.461764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -608.461764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -608.461764 (E_RNA)
where:
Base-Base interactions energy: -309.466
where: short stacking energy: -190.743
Base-Backbone interact. energy: -0.196
local terms energy: -298.799253
where:
bonds (distance) C4'-P energy: -86.594
bonds (distance) P-C4' energy: -74.573
flat angles C4'-P-C4' energy: -69.352
flat angles P-C4'-P energy: -48.874
tors. eta vs tors. theta energy: -19.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 442
Temperature: 1.200000
Total energy: -446.221178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -446.221178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -446.221178 (E_RNA)
where:
Base-Base interactions energy: -199.719
where: short stacking energy: -172.115
Base-Backbone interact. energy: -0.959
local terms energy: -245.543374
where:
bonds (distance) C4'-P energy: -57.112
bonds (distance) P-C4' energy: -73.396
flat angles C4'-P-C4' energy: -61.639
flat angles P-C4'-P energy: -44.304
tors. eta vs tors. theta energy: -9.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 442
Temperature: 1.250000
Total energy: -399.933491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -399.933491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -399.933491 (E_RNA)
where:
Base-Base interactions energy: -125.409
where: short stacking energy: -120.740
Base-Backbone interact. energy: -1.163
local terms energy: -273.360822
where:
bonds (distance) C4'-P energy: -90.601
bonds (distance) P-C4' energy: -68.280
flat angles C4'-P-C4' energy: -80.879
flat angles P-C4'-P energy: -37.936
tors. eta vs tors. theta energy: 4.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 442
Temperature: 1.300000
Total energy: -366.883079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.883079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.883079 (E_RNA)
where:
Base-Base interactions energy: -120.512
where: short stacking energy: -107.624
Base-Backbone interact. energy: -1.683
local terms energy: -244.687529
where:
bonds (distance) C4'-P energy: -68.712
bonds (distance) P-C4' energy: -76.008
flat angles C4'-P-C4' energy: -72.301
flat angles P-C4'-P energy: -40.191
tors. eta vs tors. theta energy: 12.524
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: 2
=====================================
Write number: 442
Temperature: 1.350000
Total energy: -352.944849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.944849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.944849 (E_RNA)
where:
Base-Base interactions energy: -122.383
where: short stacking energy: -115.716
Base-Backbone interact. energy: 1.999
local terms energy: -232.560876
where:
bonds (distance) C4'-P energy: -67.773
bonds (distance) P-C4' energy: -85.157
flat angles C4'-P-C4' energy: -63.010
flat angles P-C4'-P energy: -22.260
tors. eta vs tors. theta energy: 5.640
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)
out arg RESULTS//1/ABO-148ins-89879ae8_01
DONE
DONE
==================================
temp. level: 1, replica: 1
=====================================
Write number: 443
Temperature: 0.900000
Total energy: -1334.036784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1334.036784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1334.036784 (E_RNA)
where:
Base-Base interactions energy: -832.826
where: short stacking energy: -468.527
Base-Backbone interact. energy: -1.740
local terms energy: -499.471620
where:
bonds (distance) C4'-P energy: -94.577
bonds (distance) P-C4' energy: -87.008
flat angles C4'-P-C4' energy: -105.266
flat angles P-C4'-P energy: -74.015
tors. eta vs tors. theta energy: -138.607
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: 4
=====================================
Write number: 443
Temperature: 0.950000
Total energy: -1072.254455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1072.254455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1072.254455 (E_RNA)
where:
Base-Base interactions energy: -616.994
where: short stacking energy: -374.641
Base-Backbone interact. energy: 0.090
local terms energy: -455.350291
where:
bonds (distance) C4'-P energy: -88.174
bonds (distance) P-C4' energy: -92.597
flat angles C4'-P-C4' energy: -107.855
flat angles P-C4'-P energy: -60.551
tors. eta vs tors. theta energy: -106.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 443
Temperature: 1.000000
Total energy: -821.275683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -821.275683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -821.275683 (E_RNA)
where:
Base-Base interactions energy: -452.305
where: short stacking energy: -277.264
Base-Backbone interact. energy: -0.652
local terms energy: -368.319253
where:
bonds (distance) C4'-P energy: -90.824
bonds (distance) P-C4' energy: -71.962
flat angles C4'-P-C4' energy: -83.629
flat angles P-C4'-P energy: -56.671
tors. eta vs tors. theta energy: -65.234
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 443
Temperature: 1.050000
Total energy: -838.631916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -838.631916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -838.631916 (E_RNA)
where:
Base-Base interactions energy: -452.777
where: short stacking energy: -276.054
Base-Backbone interact. energy: -1.932
local terms energy: -383.922716
where:
bonds (distance) C4'-P energy: -83.578
bonds (distance) P-C4' energy: -86.060
flat angles C4'-P-C4' energy: -89.134
flat angles P-C4'-P energy: -54.661
tors. eta vs tors. theta energy: -70.490
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: 443
Temperature: 1.100000
Total energy: -653.684155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -653.684155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -653.684155 (E_RNA)
where:
Base-Base interactions energy: -305.007
where: short stacking energy: -212.146
Base-Backbone interact. energy: 2.665
local terms energy: -351.341632
where:
bonds (distance) C4'-P energy: -89.437
bonds (distance) P-C4' energy: -84.105
flat angles C4'-P-C4' energy: -83.976
flat angles P-C4'-P energy: -51.981
tors. eta vs tors. theta energy: -41.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 443
Temperature: 1.150000
Total energy: -673.193023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -673.193023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -673.193023 (E_RNA)
where:
Base-Base interactions energy: -328.984
where: short stacking energy: -179.459
Base-Backbone interact. energy: 0.673
local terms energy: -344.881778
where:
bonds (distance) C4'-P energy: -80.710
bonds (distance) P-C4' energy: -81.189
flat angles C4'-P-C4' energy: -85.191
flat angles P-C4'-P energy: -61.148
tors. eta vs tors. theta energy: -36.645
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: 7, replica: 10
=====================================
Write number: 443
Temperature: 1.200000
Total energy: -450.469912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -450.469912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -450.469912 (E_RNA)
where:
Base-Base interactions energy: -179.532
where: short stacking energy: -168.782
Base-Backbone interact. energy: -0.830
local terms energy: -270.108129
where:
bonds (distance) C4'-P energy: -69.714
bonds (distance) P-C4' energy: -87.677
flat angles C4'-P-C4' energy: -63.196
flat angles P-C4'-P energy: -41.512
tors. eta vs tors. theta energy: -8.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 443
Temperature: 1.250000
Total energy: -450.849005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -450.849005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -450.849005 (E_RNA)
where:
Base-Base interactions energy: -155.442
where: short stacking energy: -134.384
Base-Backbone interact. energy: -2.942
local terms energy: -292.465178
where:
bonds (distance) C4'-P energy: -84.905
bonds (distance) P-C4' energy: -87.548
flat angles C4'-P-C4' energy: -65.859
flat angles P-C4'-P energy: -40.864
tors. eta vs tors. theta energy: -13.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 443
Temperature: 1.300000
Total energy: -422.733566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -422.733566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -422.733566 (E_RNA)
where:
Base-Base interactions energy: -145.265
where: short stacking energy: -137.230
Base-Backbone interact. energy: 0.116
local terms energy: -277.584393
where:
bonds (distance) C4'-P energy: -76.760
bonds (distance) P-C4' energy: -88.894
flat angles C4'-P-C4' energy: -68.386
flat angles P-C4'-P energy: -40.306
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: 10, replica: 2
=====================================
Write number: 443
Temperature: 1.350000
Total energy: -379.327411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -379.327411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -379.327411 (E_RNA)
where:
Base-Base interactions energy: -141.838
where: short stacking energy: -128.902
Base-Backbone interact. energy: -1.409
local terms energy: -236.080932
where:
bonds (distance) C4'-P energy: -70.085
bonds (distance) P-C4' energy: -73.968
flat angles C4'-P-C4' energy: -53.552
flat angles P-C4'-P energy: -43.213
tors. eta vs tors. theta energy: 4.738
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)